diff --git a/.dockerignore b/.dockerignore new file mode 100644 index 00000000..e51063bb --- /dev/null +++ b/.dockerignore @@ -0,0 +1,68 @@ +# Byte-compiled / optimized / DLL files +__pycache__/ +*.py[cod] + +# C extensions +*.so + +# Distribution / packaging +.Python +env/ +build/ +develop-eggs/ +dist/ +eggs/ +lib/ +lib64/ +parts/ +sdist/ +var/ +*.egg-info/ +.installed.cfg +*.egg + +# Installer logs +pip-log.txt +pip-delete-this-directory.txt + +# Unit test / coverage reports +htmlcov/ +.tox/ +.coverage +.cache +nosetests.xml +coverage.xml + +# Translations +*.mo + +# Mr Developer +.mr.developer.cfg +.project +.pydevproject + +# Rope +.ropeproject + +# Django stuff: +*.log +*.pot + +# Sphinx documentation is needed +# to be included unlike in .gitignore +# +# Because, symlinks does not work +# inside docker as of Docker v20.10.12 +#docs/_build/ + +# Linux tempfiles +*.swp + +# Django migrations +*/migrations + +# Implementation Secrets +.env + +# Git-related +.git* diff --git a/.env.example b/.env.example new file mode 100644 index 00000000..81ff68a5 --- /dev/null +++ b/.env.example @@ -0,0 +1,114 @@ +################################################################################# +# This is an example file with all the required environment variables to +# create the ".env" file. For security reasons, ".env" is not included in +# version control (see .gitignore) and thus, not pushed to GitHub. +# +# Steps to follow: +# +# Step 1: Copy this file (".env.example") to a new file named ".env" in +# this directory. +# +# Step 2: Close this file (".env.example") and open the new file (".env") +# and proceed to the Step 3 from ".env". +# +# Step 3: Modify the environment values below to match your system and +# configuration. +# +# Step 4: Save this ".env" file. +# +################################################################################ + +# Database-related variables. +# +# Make sure to set them to match your MySQL DB configuration. +# See their usage in qmpy/db/settings.py file. +# In short, they are used to define Django's DATABASES dictionary +OQMD_DB_name=qmdb +OQMD_DB_user=root +OQMD_DB_pswd=secret +OQMD_DB_host=127.0.0.1 +OQMD_DB_port=3306 + + +# Web-hosting related variables +# +# The "OQMD_WEB_hosts" variable holds comma-separated hostnames that are +# to be included in Django's ALLOWED_HOSTS tag. +# See qmpy/qmpy/db/settings.py file. +# +# Set OQMD_WEB_debug=True only when the server is not in production. +# OQMD_WEB_debug=False prints too many details during error enounters -> high security risk +OQMD_WEB_hosts=0.0.0.0,example.com,localhost,127.0.0.1,www.example.com +OQMD_WEB_debug=False + + +# REST API-related variables +# These values are required to make queries from the /api/search page +# Regular REST API from /optimade/ and /oqmdapi/ pages would work fine even without these +# These values should match the host:port values provided in server hosting command +# Eg: +# A server hosted using "python manage.py runserver example.com:8888" should +# have OQMD_REST_baseURL='http://example.com:8888' +OQMD_REST_baseURL="http://127.0.0.1:8000" + + +# Static file storage-related variables +# These values are used in qmpy/db/settings.py file. +# The correct values for your implementation depends on where the static files are stored +# for your server. +# +# "OQMD_STATIC_root" and "OQMD_STATIC_url" are assigned to Django's STATIC_ROOT +# and STATIC_URL respectively. +# https://docs.djangoproject.com/en/2.2/ref/contrib/staticfiles/#settings +# +# OQMD_USE_CDN refers to whether CDN-hosted JS files are to be loaded instead of +# local static JS files +# Used in qmpy/templatetags/custom_filters.py +OQMD_STATIC_root=/static/ +OQMD_STATIC_url=/static/ +OQMD_USE_CDN=True + +# Secret Key for signing cookies, hash generation and some authentication in Django. +# +# It's more significant in Django servers where the user authentication +# is required, unlike oqmd.org +# +# More details: +# https://docs.djangoproject.com/en/2.2/ref/settings/#secret-key +# +# You can simply generate a 50 character key anytime. +# https://github.com/django/django/blob/stable/2.2.x/django/core/management/utils.py#L76 +# The key given is randomly generated, but not used in any of our servers: +OQMD_DJANGO_secretkey='48o2)h#gwow!iyg&__4d%zkv8v&h=n!sv)0rvj$*1yj8tw0riu' + +# URL of the PHP server to do CORS operations for JSMOL. +# More details: +# https://wiki.jmol.org/index.php/Jmol_JavaScript_Object/Info +# +# According to the official docs, if you can't host a php server, +# it is fine to set the value as: +# https://chemapps.stolaf.edu/jmol/jsmol/php/jsmol.php + +JSMOL_serverURL='/static/js/jsmol/php/jsmol.php' + + + +# Redis cache server - optional +# _____________________________ +# Currently (as of March, 2022), Redis is used in OQMD only for +# storing data to do custom structure visualization. +# Leave this section commented - just like this, if you don't +# have a redis server running. +# +# If you wanna use Redis with qmpy, +# first install and start a redis server in your machine: +# https://redis.io/docs/getting-started/ +# Now install redis's python handler in qmpy's python environment: +# pip install redis + +# Once the redis dependency is installed and the server is running, +# uncomment the lines below and set the correct Redis server host and port + +#REDIS_SERVER_HOST=127.0.0.1 +#REDIS_SERVER_PORT=6379 + diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml new file mode 100644 index 00000000..5ef857f7 --- /dev/null +++ b/.github/workflows/ci.yml @@ -0,0 +1,71 @@ +# OQMD CI workflow +name: qmpy ci workflow + +on: + pull_request: + branches: + - master + - develop + push: + branches: + - master + +jobs: + health-check-job: # running basic health checks + runs-on: ubuntu-latest # currently testing out only in ubuntu + env: + QMPY_ENV_FILEPATH: .env.example + services: + mysql: # latest mysql image is tested + image: mysql + env: + MYSQL_ROOT_PASSWORD: secret + MYSQL_DATABASE: qmdb + MYSQL_USER: qmpy_user + MYSQL_PASSWORD: secret + ports: + - 3306:3306 # exposing the default 3306 port + # mysql healthcheck + options: --health-cmd="mysqladmin ping" --health-interval=10s --health-timeout=5s --health-retries=3 + steps: + - name: Checkout code + uses: actions/checkout@v2 + - name: Cache dependency + uses: actions/cache@v2 + with: + path: ~/.cache/pip + key: ${{ runner.os }}-pip-${{ hashFiles('**/requirements.txt') }} + restore-keys: | + ${{ runner.os }}-pip- + - name: Install Graphviz + run: sudo apt-get install -y graphviz graphviz-dev + - name: Setup python environment # Need to change this section after Python version upgrades + uses: actions/setup-python@v2 + with: + python-version: '3.9' + - name: Check Python version + run: python --version + - name: Install qmpy + run: python setup.py install + - name: Set ENV + run: echo "QMPY_ENV_FILEPATH=${GITHUB_WORKSPACE}/.env.example" >> $GITHUB_ENV + - name: Make Migrations + run: python manage.py makemigrations auth qmpy contenttypes sites + working-directory: qmpy/db + - name: Run Migrations + run: python manage.py migrate + working-directory: qmpy/db + - name: Run Tests + run: python manage.py test qmpy + working-directory: qmpy/db + + # Container-related + - name: Build dev docker image + run: docker build . --file dockerfiles/Dockerfile.debug -t qmpy_debug + - name: Build a production docker image + run: docker build . --file dockerfiles/Dockerfile.gunicorn -t qmpy_deploy + - name: Run the dev server in a container + run: docker run -dp 8000:8000 qmpy_debug + + # OPTIMADE validator action may be implemented later + diff --git a/.github/workflows/codeql.yaml b/.github/workflows/codeql.yaml new file mode 100644 index 00000000..8989116b --- /dev/null +++ b/.github/workflows/codeql.yaml @@ -0,0 +1,39 @@ +# CodeQL (from LGTM) Action to perform semantic code analysis +# https://github.com/github/codeql-action + +name: "CodeQL" + +on: + push: + branches: [ master] + pull_request: + branches: [ master ] + +jobs: + analyze: + name: Analyze + runs-on: ubuntu-latest + permissions: + actions: read + contents: read + security-events: write + + strategy: + fail-fast: false + matrix: + language: [ 'python' ] + + steps: + - name: Checkout repository + uses: actions/checkout@v3 + + - name: Initialize CodeQL + uses: github/codeql-action/init@v2 + with: + languages: ${{ matrix.language }} + - name: Autobuild + uses: github/codeql-action/autobuild@v2 + + - name: Perform CodeQL Analysis + uses: github/codeql-action/analyze@v2 + diff --git a/.gitignore b/.gitignore index 2f3bec7e..d3ca73a4 100644 --- a/.gitignore +++ b/.gitignore @@ -56,3 +56,7 @@ docs/_build/ # Django migrations */migrations + +# Implementation Secrets +.env +cloudbuild.yaml diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml new file mode 100644 index 00000000..d9e667df --- /dev/null +++ b/.pre-commit-config.yaml @@ -0,0 +1,7 @@ +repos: +- repo: https://github.com/psf/black + rev: 22.1.0 + hooks: + - id: black + language: python + files: \.py$ diff --git a/.travis.yml b/.travis.yml deleted file mode 100644 index b8649d8f..00000000 --- a/.travis.yml +++ /dev/null @@ -1,38 +0,0 @@ -language: python -sudo: false -matrix: - include: - - python: 3.7 - dist: xenial -branches: - only: - - master - - production -services: - - mysql -before_install: - - wget http://repo.continuum.io/miniconda/Miniconda-latest-Linux-x86_64.sh -O miniconda.sh - - chmod +x miniconda.sh - - ./miniconda.sh -b -p $HOME/miniconda - - export PATH=$HOME/miniconda/bin:$PATH - - conda config --set always_yes yes --set changeps1 no - - conda update -q conda - - conda info -a - - conda create -q -n qmpy-test-env python=$TRAVIS_PYTHON_VERSION - - source activate qmpy-test-env -install: - - conda install --yes atlas numpy - - "python setup.py install" -before_script: - - export qmdb_v1_1_name="qmdb_dev" - - export qmdb_v1_1_user="root" - - export qmdb_v1_1_pswd="" - - export qmdb_v1_1_host="" - - export qmdb_v1_1_port="" - - export web_port="0000" - - mysql -e 'create database qmdb_dev;' -script: - - cd qmpy/db - - python manage.py makemigrations auth qmpy contenttypes sites - - python manage.py migrate - - python manage.py test qmpy diff --git a/SECURITY.md b/SECURITY.md new file mode 100644 index 00000000..0764fbb4 --- /dev/null +++ b/SECURITY.md @@ -0,0 +1,16 @@ +# Security Policy + +## Support for Vulnerability Fixes + +Due to the very limited availability of resources from our side, we're currently able to +provide only annual updates, and only on the master branch. The pip pckages are updated less +frequently. +The dependent packages are recommended to be installed from `requirements.txt` than from +`requirements-pinned.txt` whenever possible to get the latest patched versions. + +## Reporting a Vulnerability + +A vulnerability can be reported either via Github Discussions or as an Issue. Please make sure +to add appropriate tags, if applicable, and any suggestions on how to fix this vulenrability +would also be highly appreciated. +We would act on the problem as soon as possible, based on its severity. diff --git a/dockerfiles/.env.wsgi b/dockerfiles/.env.wsgi new file mode 100644 index 00000000..b8caa4eb --- /dev/null +++ b/dockerfiles/.env.wsgi @@ -0,0 +1,113 @@ +################################################################################# +# This is an example file with all the required environment variables to +# create the ".env" file. For security reasons, ".env" is not included in +# version control (see .gitignore) and thus, not pushed to GitHub. +# +# Steps to follow: +# +# Step 1: Copy this file (".env.example") to a new file named ".env" in +# this directory. +# +# Step 2: Close this file (".env.example") and open the new file (".env") +# and proceed to the Step 3 from ".env". +# +# Step 3: Modify the environment values below to match your system and +# configuration. +# +# Step 4: Save this ".env" file. +# +################################################################################ + +# Database-related variables. +# +# Make sure to set them to match your MySQL DB configuration. +# See their usage in qmpy/db/settings.py file. +# In short, they are used to define Django's DATABASES dictionary +OQMD_DB_name=qmdb +OQMD_DB_user=root +OQMD_DB_pswd=secret +OQMD_DB_host=mysql +OQMD_DB_port=3306 + + +# Web-hosting related variables +# +# The "OQMD_WEB_hosts" variable holds comma-separated hostnames that are +# to be included in Django's ALLOWED_HOSTS tag. +# See qmpy/qmpy/db/settings.py file. +# +# Set OQMD_WEB_debug=True only when the server is not in production. +# OQMD_WEB_debug=False prints too many details during error enounters -> high security risk +OQMD_WEB_hosts=0.0.0.0,127.0.0.1 +OQMD_WEB_debug=False + + +# REST API-related variables +# These values are required to make queries from the /api/search page +# Regular REST API from /optimade/ and /oqmdapi/ pages would work fine even without these +# These values should match the host:port values provided in server hosting command +# Eg: +# A server hosted using "python manage.py runserver example.com:8888" should +# have OQMD_REST_baseURL='http://example.com:8888' +OQMD_REST_baseURL="http://127.0.0.1:8000" + + +# Static file storage-related variables +# These values are used in qmpy/db/settings.py file. +# The correct values for your implementation depends on where the static files are stored +# for your server. +# +# "OQMD_STATIC_root" and "OQMD_STATIC_url" are assigned to Django's STATIC_ROOT +# and STATIC_URL respectively. +# https://docs.djangoproject.com/en/2.2/ref/contrib/staticfiles/#settings +# +# OQMD_USE_CDN refers to whether CDN-hosted JS files are to be loaded instead of +# local static JS files +# Used in qmpy/templatetags/custom_filters.py +OQMD_STATIC_root=/static/ +OQMD_STATIC_url=/static/ +OQMD_USE_CDN=False + +# Secret Key for signing cookies, hash generation and some authentication in Django. +# +# It's more significant in Django servers where the user authentication +# is required, unlike oqmd.org +# +# More details: +# https://docs.djangoproject.com/en/2.2/ref/settings/#secret-key +# +# You can simply generate a 50 character key anytime. +# https://github.com/django/django/blob/stable/2.2.x/django/core/management/utils.py#L76 +# The key given is randomly generated, but not used in any of our servers: +OQMD_DJANGO_secretkey='48o2)h#gwow!iyg&__4d%zkv8v&h=n!sv)0rvj$*1yj8tw0riu' + +# URL of the PHP server to do CORS operations for JSMOL. +# More details: +# https://wiki.jmol.org/index.php/Jmol_JavaScript_Object/Info +# +# According to the official docs, if you can't host a php server, +# it is fine to set the value as: +# https://chemapps.stolaf.edu/jmol/jsmol/php/jsmol.php + +JSMOL_serverURL='/static/js/jsmol/php/jsmol.php' + + + +# Redis cache server - optional +# _____________________________ +# Currently (as of March, 2022), Redis is used in OQMD only for +# storing data to do custom structure visualization. +# Leave this section commented - just like this, if you don't +# have a redis server running. +# +# If you wanna use Redis with qmpy, +# first install and start a redis server in your machine: +# https://redis.io/docs/getting-started/ +# Now install redis's python handler in qmpy's python environment: +# pip install redis + +# Once the redis dependency is installed and the server is running, +# uncomment the lines below and set the correct Redis server host and port + +#REDIS_SERVER_HOST=127.0.0.1 +#REDIS_SERVER_PORT=6379 diff --git a/dockerfiles/Dockerfile.debug b/dockerfiles/Dockerfile.debug new file mode 100644 index 00000000..3d589382 --- /dev/null +++ b/dockerfiles/Dockerfile.debug @@ -0,0 +1,42 @@ +# Dockerfile to serve a non-production server of OQMD in +# Django's DEBUG=True mode + +FROM python:3.9 + +ENV PYTHONDONTWRITEBYTECODE=1 +ENV PYTHONUNBUFFERED=1 + +WORKDIR /qmpy + +# Modified pip requirements file - because packages like scikit-learn are +# not needed to host an OQMD web server + +COPY ./dockerfiles/requirements.docker.txt /qmpy/requirements.txt + +# The following debian packages are installed: +# 1. python3-pulp: For COIN_CMD LP solver for PuLP (In phasespace calculations) +# 2. graphviz, graphviz-dev: required to use pygraphviz + +RUN apt-get update && apt-get install -y --no-install-recommends \ + graphviz \ + graphviz-dev \ + python3-pulp \ + python3-sphinx \ + && pip install --no-cache-dir -r requirements.txt \ + && apt-get clean \ + && rm -rf /var/lib/apt/lists/* \ + && echo "/qmpy/" > /usr/local/lib/python3.9/site-packages/qmpy.pth + +ADD ./ /qmpy + +# set env variables +ENV QMPY_ENV_FILEPATH=/qmpy/.env.example + +# Build documentation +WORKDIR /qmpy/docs +RUN make html + +WORKDIR /qmpy/qmpy/db + +# Running a Django DBEUG server without wsgi. So it is definitely not for the public server +CMD python manage.py makemigrations auth qmpy contenttypes sites; python manage.py migrate; python manage.py runserver 0.0.0.0:8000 diff --git a/dockerfiles/Dockerfile.gunicorn b/dockerfiles/Dockerfile.gunicorn new file mode 100644 index 00000000..2d945403 --- /dev/null +++ b/dockerfiles/Dockerfile.gunicorn @@ -0,0 +1,36 @@ +# Dockerfile to serve a test production server of OQMD in +# Django's DEBUG=False mode + +FROM python:3.9 + +ENV PYTHONDONTWRITEBYTECODE=1 +ENV PYTHONUNBUFFERED=1 + +WORKDIR /qmpy + +# Modified pip requirements file - because packages like scikit-learn are +# not needed to host an OQMD web server + +COPY ./dockerfiles/requirements.docker.txt /qmpy/requirements.txt + +# The following debian packages are installed: +# 1. python3-pulp: For COIN_CMD LP solver for PuLP (In phasespace calculations) +# 2. graphviz, graphviz-dev: required to use pygraphviz + +RUN apt-get update && apt-get install -y --no-install-recommends \ + graphviz \ + graphviz-dev \ + python3-pulp \ + && pip install --no-cache-dir -r requirements.txt \ + && apt-get clean \ + && rm -rf /var/lib/apt/lists/* \ + && echo "/qmpy/" > /usr/local/lib/python3.9/site-packages/qmpy.pth \ + && chown -R www-data:www-data /qmpy + +ADD ./ /qmpy + +# set env variables +ENV QMPY_ENV_FILEPATH=/qmpy/dockerfiles/.env.wsgi +RUN chown -R www-data:www-data /qmpy +# Running a wsgi server with gunicorn +CMD gunicorn qmpy.db.wsgi --user www-data --bind 0.0.0.0:8000 --access-logfile '-' --error-logfile '-' diff --git a/dockerfiles/Dockerfile.nginx b/dockerfiles/Dockerfile.nginx new file mode 100644 index 00000000..04303f9e --- /dev/null +++ b/dockerfiles/Dockerfile.nginx @@ -0,0 +1,50 @@ +# Dockerfile to serve a test production server of OQMD in +# Django's DEBUG=False mode + +FROM python:3.9 + +ENV PYTHONDONTWRITEBYTECODE=1 +ENV PYTHONUNBUFFERED=1 + +WORKDIR /qmpy + +# Modified pip requirements file - because packages like scikit-learn are +# not needed to host an OQMD web server + +COPY ./dockerfiles/requirements.docker.txt /qmpy/requirements.txt + +# The following debian packages are installed: +# 1. python3-pulp: For COIN_CMD LP solver for PuLP (In phasespace calculations) +# 2. graphviz, graphviz-dev: required to use pygraphviz + +RUN apt-get update && apt-get install -y --no-install-recommends \ + graphviz \ + graphviz-dev \ + python3-pulp \ + nginx \ + python3-sphinx \ + && pip install --no-cache-dir -r requirements.txt \ + && apt-get clean \ + && rm -rf /var/lib/apt/lists/* \ + && echo "/qmpy/" > /usr/local/lib/python3.9/site-packages/qmpy.pth \ + && chown -R www-data:www-data /qmpy + +ADD ./ /qmpy + +# set env variables +ENV QMPY_ENV_FILEPATH=/qmpy/dockerfiles/.env.wsgi + +WORKDIR /qmpy/docs + +# Build docs using Sphinx and collect static files for nginx server +RUN make html \ + && python /qmpy/qmpy/db/manage.py collectstatic \ + && chown -R www-data:www-data /static \ + && rm -r /qmpy/docs/_build + +# Copy NGINX sever configuration file +# By default, this NGINX server will run at port 8020 +COPY ./dockerfiles/nginx.default /etc/nginx/sites-available/default + +# Running a wsgi server with gunicorn +CMD gunicorn qmpy.db.wsgi --user www-data --bind 0.0.0.0:8000 & nginx -g "daemon off;" diff --git a/dockerfiles/nginx.default b/dockerfiles/nginx.default new file mode 100644 index 00000000..f1953dc6 --- /dev/null +++ b/dockerfiles/nginx.default @@ -0,0 +1,15 @@ +# nginx.default + +server { + listen 8020; + server_name 127.0.0.1; + + location / { + proxy_pass http://127.0.0.1:8000; + proxy_set_header Host $host; + proxy_set_header X-Forwarded-For $proxy_add_x_forwarded_for; + } + location /static { + root /; + } +} diff --git a/dockerfiles/requirements.docker.txt b/dockerfiles/requirements.docker.txt new file mode 100644 index 00000000..7d189253 --- /dev/null +++ b/dockerfiles/requirements.docker.txt @@ -0,0 +1,30 @@ +ase +bokeh +Django < 2.3 +django-crispy-forms +django-extensions > 2.2.5 +django-filter == 21.1 +djangorestframework > 3.10 +djangorestframework-queryfields +djangorestframework-xml +djangorestframework-yaml +gunicorn +lark-parser +lxml +matplotlib +mysqlclient +networkx +numpy +pexpect +PuLP +PyCifRW >= 4.3 +pygraphviz +pyparsing +pytest +python-dotenv +python-memcached +PyYAML +redis +requests +scipy +spglib > 1.10 diff --git a/qmpy/VERSION.txt b/qmpy/VERSION.txt index 88c5fb89..bc80560f 100644 --- a/qmpy/VERSION.txt +++ b/qmpy/VERSION.txt @@ -1 +1 @@ -1.4.0 +1.5.0 diff --git a/qmpy/analysis/thermodynamics/space.py b/qmpy/analysis/thermodynamics/space.py index 5e22832d..33345028 100644 --- a/qmpy/analysis/thermodynamics/space.py +++ b/qmpy/analysis/thermodynamics/space.py @@ -270,9 +270,9 @@ def clear_analysis(self): def clear_all(self): """ - Clears input data and analyzed results. + Clears input data and analyzed results. Same as: - >>> PhaseData.clear_data() + >>> PhaseData.clear_data() >>> PhaseData.clear_analysis() """ self.clear_data() @@ -700,7 +700,7 @@ def get_tie_lines_by_gclp(self, iterable=False): def in_space(self, composition): """ - Returns True, if the composition is in the right elemental-space + Returns True, if the composition is in the right elemental-space for this PhaseSpace. Examples:: @@ -872,7 +872,7 @@ def get_hull_points(self): phases from out of the space. Examples:: - + >>> space = PhaseSpace('FeSi2-Li') >>> space.get_hull_points() [, @@ -989,12 +989,10 @@ def _gclp(self, composition={}, mus={}, phases=[]): == float(constraint), "Conservation of " + elt, ) - ##[vh] - ##print prob if pulp.GUROBI().available(): prob.solve(pulp.GUROBI(msg=False)) elif pulp.COIN_CMD().available(): - prob.solve(pulp.COIN_CMD()) + prob.solve(pulp.COIN_CMD(msg=False)) else: prob.solve() @@ -1036,9 +1034,9 @@ def get_minima(self, phases, bounds): if pulp.GUROBI().available(): prob.solve(pulp.GUROBI(msg=False)) elif pulp.COIN_CMD().available(): - prob.solve(pulp.COIN_CMD()) + prob.solve(pulp.COIN_CMD(msg=False)) elif pulp.COINMP_DLL().available(): - prob.solve(pulp.COINMP_DLL()) + prob.solve(pulp.COINMP_DLL(msg=False)) else: prob.solve() @@ -1061,7 +1059,7 @@ def compute_hull(self): def compute_stability(self, p): """ Compute the energy difference between the formation energy of a Phase, - and the energy of the convex hull in the absence of that phase. + and the energy of the convex hull in the absence of that phase. """ # if self.phase_dict[p.name] != p: # stable = self.phase_dict[p.name] @@ -1103,7 +1101,7 @@ def compute_stabilities(self, phases=None, save=False, reevaluate=True): List of Phases. If None, uses every Phase in PhaseSpace.phases save: - If True, save the value for stability to the database. + If True, save the value for stability to the database. new_only: If True, only compute the stability for Phases which did not @@ -1178,7 +1176,7 @@ def neighboring_equilibria(self): def find_reaction_mus(self, element=None): """ Find the chemical potentials of a specified element at which reactions - occur. + occur. Examples:: @@ -1266,7 +1264,7 @@ def make_as_unary(self, **kwargs): Plot of phase volume vs formation energy. Examples:: - + >>> s = PhaseSpace('Fe2O3') >>> r = s.make_as_unary() >>> r.plot_in_matplotlib() @@ -1299,11 +1297,11 @@ def make_as_unary(self, **kwargs): self.renderer.options["tooltip"] = True def make_1d_vs_chempot(self, **kwargs): - """ + """ Plot of phase stability vs chemical potential for a single composition. Examples:: - + >>> s = PhaseSpace('Fe', mus={'O':[0,-4]}) >>> r = s.make_vs_chempot() >>> r.plot_in_matplotlib() @@ -1321,7 +1319,7 @@ def make_vs_chempot(self, **kwargs): compositions. Examples:: - + >>> s = PhaseSpace('Fe-Li', mus={'O':[0,-4]}) >>> r = s.make_vs_chempot() >>> r.plot_in_matplotlib() @@ -1398,7 +1396,7 @@ def make_as_binary(self, **kwargs): :mod:`~qmpy.Renderer`. Examples:: - + >>> s = PhaseSpace('Fe-P') >>> r = s.make_as_binary() >>> r.plot_in_matplotlib() @@ -1460,7 +1458,7 @@ def make_as_ternary(self, **kwargs): :mod:`~qmpy.Renderer`. Examples:: - + >>> s = PhaseSpace('Fe-Li-O-P') >>> r = s.make_as_quaternary() >>> r.plot_in_matplotlib() @@ -1513,7 +1511,7 @@ def make_as_quaternary(self, **kwargs): :mod:`~qmpy.Renderer`. Examples:: - + >>> s = PhaseSpace('Fe-Li-O-P') >>> r = s.make_as_quaternary() >>> r.plot_in_matplotlib() @@ -1650,9 +1648,9 @@ def get_reaction(self, var, facet=None): if pulp.GUROBI().available(): prob.solve(pulp.GUROBI(msg=False)) elif pulp.COIN_CMD().available(): - prob.solve(pulp.COIN_CMD()) + prob.solve(pulp.COIN_CMD(msg=False)) elif pulp.COINMP_DLL().available(): - prob.solve(pulp.COINMP_DLL()) + prob.solve(pulp.COINMP_DLL(msg=False)) else: prob.solve() diff --git a/qmpy/analysis/vasp/dos.py b/qmpy/analysis/vasp/dos.py index 085d371c..e5d24d12 100644 --- a/qmpy/analysis/vasp/dos.py +++ b/qmpy/analysis/vasp/dos.py @@ -80,7 +80,7 @@ def efermi(self, efermi): """Set the Fermi level.""" ef = efermi - self._efermi self._efermi = efermi - if isinstance(self.data,np.ndarray): + if isinstance(self.data, np.ndarray): try: self.data[0, :] = self.data[0, :] + ef self._site_dos[:, 0, :] = self._site_dos[:, 0, :] + ef @@ -160,11 +160,18 @@ def bokeh_plot(self): if spinflag: source = bkp.ColumnDataSource( - data=dict(en=self.energy, up=self.dos[0], down=-self.dos[1],) + data=dict( + en=self.energy, + up=self.dos[0], + down=-self.dos[1], + ) ) else: source = bkp.ColumnDataSource( - data=dict(en=self.energy, dos=self.dos[0],) + data=dict( + en=self.energy, + dos=self.dos[0], + ) ) p = bkp.figure( @@ -201,7 +208,7 @@ def bokeh_plot(self): "up", line_width=2, line_color="blue", - legend="Spin Up", + legend_label="Spin Up", source=source, ) p.line( @@ -209,7 +216,7 @@ def bokeh_plot(self): "down", line_width=2, line_color="orange", - legend="Spin Down", + legend_label="Spin Down", source=source, ) else: @@ -218,7 +225,7 @@ def bokeh_plot(self): "dos", line_width=2, line_color="blue", - legend="total", + legend_label="total", source=source, ) @@ -242,8 +249,8 @@ def get_projected_dos(self, strc, element, orbital=None, debug=False): Which orbitals to retrieve. See site_dos for options. Use None to integrate all orbitals If you specify an orbital without phase factors or spins, - this operation will automatically sum all bands that - match that criteria (ex: if you specify 'd+', this + this operation will automatically sum all bands that + match that criteria (ex: if you specify 'd+', this may sum the dxy+, dyz+, dz2+, ... orbitals. Another example, if you put "+" it will get only the positive band """ diff --git a/qmpy/db/settings.py b/qmpy/db/settings.py index cd34a6af..a4413b60 100644 --- a/qmpy/db/settings.py +++ b/qmpy/db/settings.py @@ -1,33 +1,40 @@ # Django settings for oqmd project. import os +from dotenv import load_dotenv, find_dotenv + +# Loading environment variables from .env file +if os.environ.get("QMPY_ENV_FILEPATH"): + load_dotenv(os.environ.get("QMPY_ENV_FILEPATH")) INSTALL_PATH = os.path.dirname(os.path.abspath(__file__)) INSTALL_PATH = os.path.split(INSTALL_PATH)[0] INSTALL_PATH = os.path.split(INSTALL_PATH)[0] -# DEBUG = False -DEBUG = True +DEBUG = True if os.environ.get("OQMD_WEB_debug").lower() == "true" else False TEMPLATE_DEBUG = DEBUG ADMINS = ( ("Scott Kirklin", "scott.kirklin@gmail.com"), - ("Vinay Hegde", "hegdevinayi@gmail.com"), + ("OQMD Dev Team", "oqmd.questions@gmail.com"), ) MANAGERS = ADMINS +if not DEBUG: + WSGI_APPLICATION = "qmpy.db.wsgi.application" + DATABASES = { "default": { "ENGINE": "django.db.backends.mysql", - "NAME": os.environ.get("qmdb_v1_1_name"), - "USER": os.environ.get("qmdb_v1_1_user"), - "PASSWORD": os.environ.get("qmdb_v1_1_pswd"), - "HOST": os.environ.get("qmdb_v1_1_host"), - "PORT": os.environ.get("qmdb_v1_1_port"), + "NAME": os.environ.get("OQMD_DB_name"), + "USER": os.environ.get("OQMD_DB_user"), + "PASSWORD": os.environ.get("OQMD_DB_pswd"), + "HOST": os.environ.get("OQMD_DB_host"), + "PORT": os.environ.get("OQMD_DB_port"), } } -ALLOWED_HOSTS = ["larue.northwestern.edu", "www.larue.northwestern.edu"] +ALLOWED_HOSTS = os.environ.get("OQMD_WEB_hosts").split(",") # Local time zone for this installation. Choices can be found here: # http://en.wikipedia.org/wiki/List_of_tz_zones_by_name @@ -65,11 +72,11 @@ # Don't put anything in this directory yourself; store your static files # in apps' "static/" subdirectories and in STATICFILES_DIRS. # Example: "/home/media/media.lawrence.com/static/" -STATIC_ROOT = "/home/oqmd/oqmd2.org/static/" +STATIC_ROOT = os.environ.get("OQMD_STATIC_root") # URL prefix for static files. # Example: "http://media.lawrence.com/static/" -STATIC_URL = "/static/" +STATIC_URL = os.environ.get("OQMD_STATIC_url") # Additional locations of static files STATICFILES_DIRS = ( @@ -88,7 +95,7 @@ ) # Make this unique, and don't share it with anybody. -SECRET_KEY = "h23o7ac@^_upzx*zzs%1t1bn6#*(7@b3$kp*v9)6hbf%rkr!%z" +SECRET_KEY = os.environ.get("OQMD_DJANGO_secretkey") TEMPLATES = [ { @@ -130,7 +137,7 @@ ROOT_URLCONF = "qmpy.web.urls" -INSTALLED_APPS = ( +INSTALLED_APPS = [ "django.contrib.auth", "django.contrib.contenttypes", "django.contrib.sessions", @@ -143,7 +150,7 @@ "rest_framework_xml", "rest_framework_yaml", "crispy_forms", -) +] # A sample logging configuration. The only tangible logging # performed by this configuration is to send an email to @@ -187,8 +194,8 @@ "rest_framework_xml.renderers.XMLRenderer", "rest_framework_yaml.renderers.YAMLRenderer", ), - 'URL_FORMAT_OVERRIDE': 'response_format', - 'FORMAT_SUFFIX_KWARG': 'response_format', + "URL_FORMAT_OVERRIDE": "response_format", + "FORMAT_SUFFIX_KWARG": "response_format", } CRIPSY_TEMPLATE_PACK = "bootstrap" @@ -203,4 +210,6 @@ AUTH_USER_MODEL = "qmpy.User" +DATA_UPLOAD_MAX_NUMBER_FIELDS = 12000 + GOOGLE_ANALYTICS_MODEL = True diff --git a/qmpy/db/wsgi.py b/qmpy/db/wsgi.py index 670ac158..fc5e5691 100644 --- a/qmpy/db/wsgi.py +++ b/qmpy/db/wsgi.py @@ -1,6 +1,8 @@ import os, os.path import sys import site +import django +import qmpy INSTALL_DIR = os.path.abspath(__file__).replace("/qmpy/db/wsgi.py", "") @@ -12,10 +14,14 @@ os.environ.setdefault("DJANGO_SETTINGS_MODULE", "qmpy.db.settings") +from django.conf import settings + +if not settings.configured: + settings.configure(default_settings=qmpy.db.settings, DEBUG=False) +django.setup() + # This application object is used by the development server # as well as any WSGI server configured to use this file. -# from django.core.wsgi import get_wsgi_application -# application = get_wsgi_application() -import django.core.handlers.wsgi +from django.core.wsgi import get_wsgi_application -application = django.core.handlers.wsgi.WSGIHandler() +application = get_wsgi_application() diff --git a/qmpy/io/__init__.py b/qmpy/io/__init__.py index fb01a0f0..0ec5ce08 100644 --- a/qmpy/io/__init__.py +++ b/qmpy/io/__init__.py @@ -2,6 +2,7 @@ from . import cif from . import poscar +from . import ase_mapper import ase import ase.io diff --git a/qmpy/materials/atom.py b/qmpy/materials/atom.py index 4d99ba7a..0417bb40 100644 --- a/qmpy/materials/atom.py +++ b/qmpy/materials/atom.py @@ -355,7 +355,7 @@ def __hash__(self): return hash(self._get_pk_val()) def __eq__(self, other): - return (self.x, self.y, self.z) == (other.x, other.y, other.z) + return norm([self.x - other.x, self.y - other.y, self.z - other.z]) < 1e-4 def __str__(self): coord_str = "" diff --git a/qmpy/rester/qmpy_rester.py b/qmpy/rester/qmpy_rester.py index f2f89714..08184197 100644 --- a/qmpy/rester/qmpy_rester.py +++ b/qmpy/rester/qmpy_rester.py @@ -1,10 +1,12 @@ import json import os +from urllib.parse import urljoin -WEBPORT = os.environ.get("web_port") +REST_baseURL = os.environ.get("OQMD_REST_baseURL") + +REST_OPTIMADE = urljoin(REST_baseURL, "optimade") +REST_OQMDAPI = urljoin(REST_baseURL, "oqmdapi") -REST_OPTIMADE = "http://larue.northwestern.edu:" + WEBPORT + "/optimade" -REST_OQMDAPI = "http://larue.northwestern.edu:" + WEBPORT + "/oqmdapi" REST_END_POINT = REST_OQMDAPI diff --git a/qmpy/templatetags/custom_filters.py b/qmpy/templatetags/custom_filters.py index d26a9205..8b6a5830 100644 --- a/qmpy/templatetags/custom_filters.py +++ b/qmpy/templatetags/custom_filters.py @@ -1,4 +1,5 @@ from django import template +import os register = template.Library() @@ -6,3 +7,13 @@ @register.filter def get_item(dictionary, key): return dictionary.get(key) + + +@register.filter +def USE_CDN(_): + return True if os.environ.get("OQMD_USE_CDN").lower() == "true" else False + + +@register.filter +def IS_DEBUG(_): + return True if os.environ.get("OQMD_WEB_debug").lower() == "true" else False diff --git a/qmpy/utils/oqmd_optimade/QueryLarkDjangoParser.py b/qmpy/utils/oqmd_optimade/QueryLarkDjangoParser.py index 4dcb4125..89ef7469 100644 --- a/qmpy/utils/oqmd_optimade/QueryLarkDjangoParser.py +++ b/qmpy/utils/oqmd_optimade/QueryLarkDjangoParser.py @@ -496,6 +496,14 @@ def property_first_comparison(self, children): try: a = self.property_dict[_property] except: + if _property.startswith("_") and not _property.startswith("_oqmd_"): + error_message = "Cannot resolve the property name." + error_message += ( + "This particular query field is considered as unknown and ignored." + ) + error_message += "A dummy query (id=-1) to return None is executed" + self.handle_error("T4", error_message, _property, raise_error=False) + return self.eq(self.property_dict["id"], -1) self.handle_error("T1", "Cannot resolve the property name", _property) return diff --git a/qmpy/utils/oqmd_optimade/tests.py b/qmpy/utils/oqmd_optimade/tests.py index d2e80c58..03c57928 100644 --- a/qmpy/utils/oqmd_optimade/tests.py +++ b/qmpy/utils/oqmd_optimade/tests.py @@ -2,6 +2,13 @@ from django.test import TestCase from django.db.models import Q from rest_framework.exceptions import ParseError +from qmpy.utils.oqmd_optimade.QueryLarkDjangoParser import ( + NotImplementedErr, + LarkParserError, +) + +# At some point, we need to run OPTIMADE Validatior Action tests +# in qmpy Github Actions, instead of doing these tests - Abi class RESTfulTestCase(TestCase): @@ -69,8 +76,9 @@ def test_queries(self): truth_value = "(AND: ('entry__composition__ntypes', '3'))" assert truth_value == self.transform_q("elements LENGTH 3") - # queries that return 'None'. i.e; no data is returned but a BadRequest400 error is not raised - truth_value = "None" + # queries that return None. i.e; no data is returned but a BadRequest400 error is not raised. + # A Django query to return no values is executed in this case + truth_value = "(AND: ('id', -1))" assert truth_value == self.transform_q("_abc_elements LENGTH 3") # Other property-dependant tests @@ -90,61 +98,65 @@ def test_queries(self): ) truth_value = "(AND: ('composition__formula__in', ['Al1']))" assert truth_value == self.transform_q('chemical_formula_reduced= " Al "') - truth_value = "(AND: ('entry__natoms__lt', '8'))" + truth_value = "(AND: ('entry__natoms__lt', '8'), ('id', -1))" assert truth_value == self.transform_q("nsites<8 AND _<0") - truth_value = "(AND: ('entry__natoms__lt', '8'))" + truth_value = "(AND: ('entry__natoms__lt', '8'), ('id', -1))" assert truth_value == self.transform_q("nsites<8 AND _abc_stability<0") truth_value = "(AND: ('id', '112/23344'))" assert truth_value == self.transform_q('id="112/23344"') def test_errors(self): - self.assertRaises(ParseError, self.transform_q, "abc_elements LENGTH 3", 3) - self.assertRaises(ParseError, self.transform_q, "xyz = 3", 3) self.assertRaises( - ParseError, + NotImplementedErr, self.transform_q, "abc_elements LENGTH 3", 3 + ) + self.assertRaises(NotImplementedErr, self.transform_q, "xyz = 3", 3) + self.assertRaises( + NotImplementedErr, self.transform_q, "abcd=0 AND band_gap>0 OR lattice_vectors=12345", 3, ) self.assertRaises( - ParseError, self.transform_q, "stability>0 OR NOT lattice_vectors>12345", 3 + NotImplementedErr, + self.transform_q, + "stability>0 OR NOT lattice_vectors>12345", + 3, ) - self.assertRaises(ParseError, self.transform_q, "band_gap>0 OR NOT id>12345", 3) - self.assertRaises(ParseError, self.transform_q, 'elements HAS "A"', 3) - self.assertRaises(ParseError, self.transform_q, 'elements HAS ANY "Al",D', 3) - self.assertRaises(ParseError, self.transform_q, "elements HAS Al", 3) - self.assertRaises(ParseError, self.transform_q, "id=112/23344", 3) - self.assertRaises(ParseError, self.transform_q, "elements LENGTH > 3", 3) - self.assertRaises(ParseError, self.transform_q, "stability HAS 1", 3) - self.assertRaises(ParseError, self.transform_q, 'id>"1234"', 3) - self.assertRaises(ParseError, self.transform_q, "OR stability > 3", 3) - self.assertRaises(ParseError, self.transform_q, "NOT abcd > 3", 3) - self.assertRaises(ParseError, self.transform_q, "AND", 3) + self.assertRaises(NotImplementedErr, self.transform_q, 'elements HAS "A"', 3) self.assertRaises( - ParseError, self.transform_q, "chemical_formula_reduced=Al2O3", 3 + LarkParserError, self.transform_q, 'elements HAS ANY "Al",D', 3 ) + self.assertRaises(LarkParserError, self.transform_q, "elements HAS Al", 3) + self.assertRaises(LarkParserError, self.transform_q, "id=112/23344", 3) + self.assertRaises(NotImplementedErr, self.transform_q, "elements LENGTH > 3", 3) + self.assertRaises(NotImplementedErr, self.transform_q, "stability HAS 1", 3) + self.assertRaises(LarkParserError, self.transform_q, "OR stability > 3", 3) + self.assertRaises(NotImplementedErr, self.transform_q, "NOT abcd > 3", 3) + self.assertRaises(LarkParserError, self.transform_q, "AND", 3) self.assertRaises( - ParseError, self.transform_q, 'chemical_formula_reduced="{4z}"', 3 + LarkParserError, self.transform_q, "chemical_formula_reduced=Al2O3", 3 + ) + self.assertRaises( + NotImplementedErr, self.transform_q, 'chemical_formula_reduced="{4z}"', 3 ) - self.assertRaises(ParseError, self.transform_q, 'elements HAS " Al "', 3) - self.assertRaises(ParseError, self.transform_q, " < 0", 3) - self.assertRaises(ParseError, self.transform_q, "AND < 0", 3) - self.assertRaises(ParseError, self.transform_q, " < 0", 3) - self.assertRaises(ParseError, self.transform_q, " < 0", 3) - - # Following tests should be modified when OQMD start supporting these kinda queries - self.assertRaises(ParseError, self.transform_q, "3 > stability", 3) - self.assertRaises(ParseError, self.transform_q, "stability IS KNOWN", 3) self.assertRaises( - ParseError, self.transform_q, 'chemical_formula_reduced CONTAINS "Al"', 3 + NotImplementedErr, self.transform_q, 'elements HAS " Al "', 3 ) + self.assertRaises(LarkParserError, self.transform_q, " < 0", 3) + self.assertRaises(LarkParserError, self.transform_q, "AND < 0", 3) + self.assertRaises(LarkParserError, self.transform_q, " < 0", 3) + + # Following tests should be modified when OQMD start supporting these kinda queries + self.assertRaises(NotImplementedErr, self.transform_q, "stability IS KNOWN", 3) def test_warnings(self): - assert self.transform_q("_abc_stability < 0", 1)[0].startswith( - "_oqmd_IgnoredProperty" + assert self.transform_q("_abc_stability < 0", 1)[0]["detail"].startswith( + "_oqmd_GeneralWarning" + ) + assert self.transform_q("_ >= 0", 1)[0]["detail"].startswith( + "_oqmd_GeneralWarning" ) - assert self.transform_q("_ >= 0", 1)[0].startswith("_oqmd_IgnoredProperty") - assert self.transform_q("nsites<8 AND _<0", 1)[0].startswith( - "_oqmd_IgnoredProperty" + assert self.transform_q("nsites<8 AND _<0", 1)[0]["detail"].startswith( + "_oqmd_GeneralWarning" ) assert self.transform_q("nsites<8 AND nelements<4", 1) == [] diff --git a/qmpy/utils/rest_query_parser.py b/qmpy/utils/rest_query_parser.py index 38236963..f3a42729 100644 --- a/qmpy/utils/rest_query_parser.py +++ b/qmpy/utils/rest_query_parser.py @@ -13,17 +13,22 @@ def element_set_conversion(filter_expr): '~': NOT operator '(', ')': to change precedence Examples: - element_set=Al;O,H - element_set=(Mn;Fe),O + element_set=Al,O,H + element_set=(Mn,Fe),O Output: :str : converted filter expression """ filter_expr_out = filter_expr for els in re.findall("element_set=[\S]*", filter_expr): - els_out = els.replace("element_set=", "") - for el in re.findall("[A-Z][a-z]*", els): - els_out = els_out.replace(el, ' element="' + el + '" ') + els_out = "" + for e in re.split("(\W+)", els.replace("element_set=", "")): + if len(e) == 0: + continue + elif e[0].isupper(): + els_out += 'element="' + e + '"' + else: + els_out += e els_out = els_out.replace(",", " AND ") els_out = els_out.replace("-", " OR ") diff --git a/qmpy/utils/strings.py b/qmpy/utils/strings.py index 0edf803a..1b4d3b08 100644 --- a/qmpy/utils/strings.py +++ b/qmpy/utils/strings.py @@ -17,6 +17,7 @@ import numpy as np import re import yaml +import math import fractions as frac import decimal as dec import logging @@ -238,10 +239,24 @@ def unit_comp(comp): return normalize_dict(comp) +def frac_gcd(a, b): + # From fractions.gcd() that used to exist in python <3.8 + # https://github.com/python/cpython/blob/3.7/Lib/fractions.py#L17 + # Need to find a "not so deprecated" solution here + if type(a) is int is type(b): + if (b or a) < 0: + return -math.gcd(a, b) + return math.gcd(a, b) + + while b: + a, b = b, a % b + return a + + def reduce_by_gcd(values, tol=5e-2): least = min([v for v in values if v]) ints = [roundclose(v / least, tol) for v in values] - gcd = reduce(frac.gcd, [roundclose(v, tol) for v in values if v]) + gcd = reduce(frac_gcd, [roundclose(v, tol) for v in values if v]) return [v / gcd for v in values] @@ -251,7 +266,7 @@ def reduce_by_partial_gcd(values): return values least = min(ints) ints = [v / least for v in ints] - gcd = reduce(frac.gcd, ints) + gcd = reduce(frac_gcd, ints) return [v / gcd for v in values] @@ -266,7 +281,7 @@ def reduce_by_any_means(values): break i += 1 p = primes[i - 1] - d = reduce(frac.gcd, [roundclose(v, 5e-2) for v in vals * p]) + d = reduce(frac_gcd, [roundclose(v, 5e-2) for v in vals * p]) else: vals = np.round(vals * p / d) return vals.tolist() diff --git a/qmpy/web/static/css/bokeh-0.12.11.min.css b/qmpy/web/static/css/bokeh-0.12.11.min.css deleted file mode 100644 index 9e1b6cc6..00000000 --- a/qmpy/web/static/css/bokeh-0.12.11.min.css +++ /dev/null @@ -1 +0,0 @@ -.bk-root{font-family:"Helvetica 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t.beginPath(),t.moveTo(.5*this.size,this.size),t.lineTo(0,0),t.lineTo(-.5*this.size,this.size),t.closePath()},e}(a);n.NormalHead=u,u.prototype.type="NormalHead",u.mixins(["line","fill"]),u.define({size:[s.Number,25]}),u.override({fill_color:"black"});var h=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.clip=function(t,e){return this.visuals.line.set_vectorize(t,e),t.moveTo(.5*this.size,this.size),t.lineTo(.5*this.size,-2),t.lineTo(-.5*this.size,-2),t.lineTo(-.5*this.size,this.size),t.lineTo(0,.5*this.size),t.lineTo(.5*this.size,this.size)},e.prototype.render=function(t,e){if(this.visuals.fill.doit&&(this.visuals.fill.set_vectorize(t,e),this._vee(t,e),t.fill()),this.visuals.line.doit)return this.visuals.line.set_vectorize(t,e),this._vee(t,e),t.stroke()},e.prototype._vee=function(t,e){return t.beginPath(),t.moveTo(.5*this.size,this.size),t.lineTo(0,0),t.lineTo(-.5*this.size,this.size),t.lineTo(0,.5*this.size),t.closePath()},e}(a);n.VeeHead=h,h.prototype.type="VeeHead",h.mixins(["line","fill"]),h.define({size:[s.Number,25]}),h.override({fill_color:"black"});var c=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.render=function(t,e){if(this.visuals.line.doit)return this.visuals.line.set_vectorize(t,e),t.beginPath(),t.moveTo(.5*this.size,0),t.lineTo(-.5*this.size,0),t.stroke()},e}(a);n.TeeHead=c,c.prototype.type="TeeHead",c.mixins(["line"]),c.define({size:[s.Number,25]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(51),o=t(173),s=t(15);n.BandView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e),this.set_data(this.model.source)},e.prototype.connect_signals=function(){return t.prototype.connect_signals.call(this),this.connect(this.model.source.streaming,function(){return this.set_data(this.model.source)}),this.connect(this.model.source.patching,function(){return this.set_data(this.model.source)}),this.connect(this.model.source.change,function(){return this.set_data(this.model.source)})},e.prototype.set_data=function(e){return t.prototype.set_data.call(this,e),this.visuals.warm_cache(e),this.plot_view.request_render()},e.prototype._map_data=function(){var t,e,n,i,r,o,s,a,l,u,h,c,_,p,d;return l=this.plot_view.frame,a=this.model.dimension,p=l.xscales[this.model.x_range_name],d=l.yscales[this.model.y_range_name],c="height"===a?d:p,o="height"===a?p:d,_="height"===a?l.yview:l.xview,s="height"===a?l.xview:l.yview,n="data"===this.model.lower.units?c.v_compute(this._lower):_.v_compute(this._lower),r="data"===this.model.upper.units?c.v_compute(this._upper):_.v_compute(this._upper),t="data"===this.model.base.units?o.v_compute(this._base):s.v_compute(this._base),f="height"===a?[1,0]:[0,1],u=f[0],h=f[1],e=[n,t],i=[r,t],this._lower_sx=e[u],this._lower_sy=e[h],this._upper_sx=i[u],this._upper_sy=i[h];var f},e.prototype.render=function(){var t,e,n,i,r,o,s,a,l,u;if(this.model.visible){for(this._map_data(),t=this.plot_view.canvas_view.ctx,t.beginPath(),t.moveTo(this._lower_sx[0],this._lower_sy[0]),e=n=0,s=this._lower_sx.length;0<=s?ns;e=0<=s?++n:--n)t.lineTo(this._lower_sx[e],this._lower_sy[e]);for(e=i=a=this._upper_sx.length-1;a<=0?i<=0:i>=0;e=a<=0?++i:--i)t.lineTo(this._upper_sx[e],this._upper_sy[e]);for(t.closePath(),this.visuals.fill.doit&&(this.visuals.fill.set_value(t),t.fill()),t.beginPath(),t.moveTo(this._lower_sx[0],this._lower_sy[0]),e=r=0,l=this._lower_sx.length;0<=l?rl;e=0<=l?++r:--r)t.lineTo(this._lower_sx[e],this._lower_sy[e]);for(this.visuals.line.doit&&(this.visuals.line.set_value(t),t.stroke()),t.beginPath(),t.moveTo(this._upper_sx[0],this._upper_sy[0]),e=o=0,u=this._upper_sx.length;0<=u?ou;e=0<=u?++o:--o)t.lineTo(this._upper_sx[e],this._upper_sy[e]);return this.visuals.line.doit?(this.visuals.line.set_value(t),t.stroke()):void 0}},e}(r.AnnotationView);var a=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.Annotation);n.Band=a,a.prototype.default_view=n.BandView,a.prototype.type="Band",a.mixins(["line","fill"]),a.define({lower:[s.DistanceSpec],upper:[s.DistanceSpec],base:[s.DistanceSpec],dimension:[s.Dimension,"height"],source:[s.Instance,function(){return new o.ColumnDataSource}],x_range_name:[s.String,"default"],y_range_name:[s.String,"default"]}),a.override({fill_color:"#fff9ba",fill_alpha:.4,line_color:"#cccccc",line_alpha:.3})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(51),o=t(20),s=t(5),a=t(15),l=t(42);n.BoxAnnotationView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e),this.plot_view.canvas_overlays.appendChild(this.el),this.el.classList.add("bk-shading"),s.hide(this.el)},e.prototype.connect_signals=function(){var e=this;return t.prototype.connect_signals.call(this),"css"===this.model.render_mode?(this.connect(this.model.change,function(){return this.render()}),this.connect(this.model.data_update,function(){return this.render()})):(this.connect(this.model.change,function(){return e.plot_view.request_render()}),this.connect(this.model.data_update,function(){return e.plot_view.request_render()}))},e.prototype.render=function(){var t,e,n,i,r,o,a,l,u,h=this;if(this.model.visible||"css"!==this.model.render_mode||s.hide(this.el),this.model.visible)return null==this.model.left&&null==this.model.right&&null==this.model.top&&null==this.model.bottom?(s.hide(this.el),null):(n=this.plot_model.frame,l=n.xscales[this.model.x_range_name],u=n.yscales[this.model.y_range_name],t=function(t,e,n,i,r){var o;return o=null!=t?h.model.screen?t:"data"===e?n.compute(t):i.compute(t):r},r=t(this.model.left,this.model.left_units,l,n.xview,n._left.value),o=t(this.model.right,this.model.right_units,l,n.xview,n._right.value),a=t(this.model.top,this.model.top_units,u,n.yview,n._top.value),i=t(this.model.bottom,this.model.bottom_units,u,n.yview,n._bottom.value),(e="css"===this.model.render_mode?this._css_box.bind(this):this._canvas_box.bind(this))(r,o,i,a))},e.prototype._css_box=function(t,e,n,i){var r,o,a;return a=Math.abs(e-t),o=Math.abs(n-i),this.el.style.left=t+"px",this.el.style.width=a+"px",this.el.style.top=i+"px",this.el.style.height=o+"px",this.el.style.borderWidth=this.model.line_width.value+"px",this.el.style.borderColor=this.model.line_color.value,this.el.style.backgroundColor=this.model.fill_color.value,this.el.style.opacity=this.model.fill_alpha.value,r=this.model.line_dash,l.isArray(r)&&(r=r.length<2?"solid":"dashed"),l.isString(r)&&(this.el.style.borderStyle=r),s.show(this.el)},e.prototype._canvas_box=function(t,e,n,i){var r;return r=this.plot_view.canvas_view.ctx,r.save(),r.beginPath(),r.rect(t,i,e-t,n-i),this.visuals.fill.set_value(r),r.fill(),this.visuals.line.set_value(r),r.stroke(),r.restore()},e}(r.AnnotationView);var u=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e,n){return t.prototype.initialize.call(this,e,n),this.data_update=new o.Signal(this,"data_update")},e.prototype.update=function(t){var e=t.left,n=t.right,i=t.top,r=t.bottom;return this.setv({left:e,right:n,top:i,bottom:r,screen:!0},{silent:!0}),this.data_update.emit()},e}(r.Annotation);n.BoxAnnotation=u,u.prototype.default_view=n.BoxAnnotationView,u.prototype.type="BoxAnnotation",u.mixins(["line","fill"]),u.define({render_mode:[a.RenderMode,"canvas"],x_range_name:[a.String,"default"],y_range_name:[a.String,"default"],top:[a.Number,null],top_units:[a.SpatialUnits,"data"],bottom:[a.Number,null],bottom_units:[a.SpatialUnits,"data"],left:[a.Number,null],left_units:[a.SpatialUnits,"data"],right:[a.Number,null],right_units:[a.SpatialUnits,"data"]}),u.internal({screen:[a.Boolean,!1]}),u.override({fill_color:"#fff9ba",fill_alpha:.4,line_color:"#cccccc",line_alpha:.3})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i,r,o,s=t(364),a=t(51),l=t(180),u=t(91),h=t(146),c=t(168),_=t(169),p=t(160),d=t(15),f=t(40),m=t(22),v=t(30),g=t(42);o=25,r=.3,i=.8,n.ColorBarView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return s.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e),this._set_canvas_image()},e.prototype.connect_signals=function(){var e=this;if(t.prototype.connect_signals.call(this),this.connect(this.model.properties.visible.change,function(){return e.plot_view.request_render()}),this.connect(this.model.ticker.change,function(){return e.plot_view.request_render()}),this.connect(this.model.formatter.change,function(){return e.plot_view.request_render()}),null!=this.model.color_mapper)return this.connect(this.model.color_mapper.change,function(){return this._set_canvas_image(),this.plot_view.request_render()})},e.prototype._get_size=function(){var t,e;return null==this.model.color_mapper?0:(t=this.compute_legend_dimensions(),e=this.model.panel.side,"above"===e||"below"===e?t.height:"left"===e||"right"===e?t.width:void 0)},e.prototype._set_canvas_image=function(){var t,e,n,i,r,o,s,a,l,u;if(null!=this.model.color_mapper){switch(a=this.model.color_mapper.palette,"vertical"===this.model.orientation&&(a=a.slice(0).reverse()),this.model.orientation){case"vertical":c=[1,a.length],u=c[0],r=c[1];break;case"horizontal":_=[a.length,1],u=_[0],r=_[1]}return n=document.createElement("canvas"),p=[u,r],n.width=p[0],n.height=p[1],o=n.getContext("2d"),s=o.getImageData(0,0,u,r),i=new h.LinearColorMapper({palette:a}),t=i.v_map_screen(function(){l=[];for(var t=0,e=a.length;0<=e?te;0<=e?t++:t--)l.push(t);return l}.apply(this)),e=new Uint8Array(t),s.data.set(e),o.putImageData(s,0,0),this.image=n;var c,_,p}},e.prototype.compute_legend_dimensions=function(){var t,e,n,i,r,o,s,a,l;switch(t=this.model._computed_image_dimensions(),u=[t.height,t.width],e=u[0],n=u[1],i=this._get_label_extent(),l=this.model._title_extent(),a=this.model._tick_extent(),s=this.model.padding,this.model.orientation){case"vertical":r=e+l+2*s,o=n+a+i+2*s;break;case"horizontal":r=e+l+a+i+2*s,o=n+2*s}return{height:r,width:o};var u},e.prototype.compute_legend_location=function(){var t,e,n,i,r,o,s,a,l,u,h,c,_;if(e=this.compute_legend_dimensions(),p=[e.height,e.width],n=p[0],r=p[1],i=this.model.margin,s=null!=(a=this.model.panel)?a:this.plot_view.frame,d=s.bbox.ranges,t=d[0],h=d[1],o=this.model.location,g.isString(o))switch(o){case"top_left":l=t.start+i,u=h.start+i;break;case"top_center":l=(t.end+t.start)/2-r/2,u=h.start+i;break;case"top_right":l=t.end-i-r,u=h.start+i;break;case"bottom_right":l=t.end-i-r,u=h.end-i-n;break;case"bottom_center":l=(t.end+t.start)/2-r/2,u=h.end-i-n;break;case"bottom_left":l=t.start+i,u=h.end-i-n;break;case"center_left":l=t.start+i,u=(h.end+h.start)/2-n/2;break;case"center":l=(t.end+t.start)/2-r/2,u=(h.end+h.start)/2-n/2;break;case"center_right":l=t.end-i-r,u=(h.end+h.start)/2-n/2}else g.isArray(o)&&2===o.length&&(c=o[0],_=o[1],l=s.xview.compute(c),u=s.yview.compute(_)-n);return{sx:l,sy:u};var p,d},e.prototype.render=function(){var t,e,n,i,r;if(this.model.visible&&null!=this.model.color_mapper){return t=this.plot_view.canvas_view.ctx,t.save(),o=this.compute_legend_location(),n=o.sx,i=o.sy,t.translate(n,i),this._draw_bbox(t),e=this._get_image_offset(),t.translate(e.x,e.y),this._draw_image(t),null!=this.model.color_mapper.low&&null!=this.model.color_mapper.high&&(r=this.model.tick_info(),this._draw_major_ticks(t,r),this._draw_minor_ticks(t,r),this._draw_major_labels(t,r)),this.model.title&&this._draw_title(t),t.restore();var o}},e.prototype._draw_bbox=function(t){var e;return e=this.compute_legend_dimensions(),t.save(),this.visuals.background_fill.doit&&(this.visuals.background_fill.set_value(t),t.fillRect(0,0,e.width,e.height)),this.visuals.border_line.doit&&(this.visuals.border_line.set_value(t),t.strokeRect(0,0,e.width,e.height)),t.restore()},e.prototype._draw_image=function(t){var e;return e=this.model._computed_image_dimensions(),t.save(),t.setImageSmoothingEnabled(!1),t.globalAlpha=this.model.scale_alpha,t.drawImage(this.image,0,0,e.width,e.height),this.visuals.bar_line.doit&&(this.visuals.bar_line.set_value(t),t.strokeRect(0,0,e.width,e.height)),t.restore()},e.prototype._draw_major_ticks=function(t,e){var n,i,r,o,s,a,l,u,h,c,_,p;if(this.visuals.major_tick_line.doit){for(d=this.model._normals(),o=d[0],s=d[1],i=this.model._computed_image_dimensions(),f=[i.width*o,i.height*s],_=f[0],p=f[1],m=e.coords.major,l=m[0],u=m[1],h=this.model.major_tick_in,c=this.model.major_tick_out,t.save(),t.translate(_,p),this.visuals.major_tick_line.set_value(t),n=r=0,a=l.length;0<=a?ra;n=0<=a?++r:--r)t.beginPath(),t.moveTo(Math.round(l[n]+o*c),Math.round(u[n]+s*c)),t.lineTo(Math.round(l[n]-o*h),Math.round(u[n]-s*h)),t.stroke();return t.restore();var d,f,m}},e.prototype._draw_minor_ticks=function(t,e){var n,i,r,o,s,a,l,u,h,c,_,p;if(this.visuals.minor_tick_line.doit){for(d=this.model._normals(),o=d[0],s=d[1],i=this.model._computed_image_dimensions(),f=[i.width*o,i.height*s],_=f[0],p=f[1],m=e.coords.minor,l=m[0],u=m[1],h=this.model.minor_tick_in,c=this.model.minor_tick_out,t.save(),t.translate(_,p),this.visuals.minor_tick_line.set_value(t),n=r=0,a=l.length;0<=a?ra;n=0<=a?++r:--r)t.beginPath(),t.moveTo(Math.round(l[n]+o*c),Math.round(u[n]+s*c)),t.lineTo(Math.round(l[n]-o*h),Math.round(u[n]-s*h)),t.stroke();return t.restore();var d,f,m}},e.prototype._draw_major_labels=function(t,e){var n,i,r,o,s,a,l,u,h,c,_,p,d,f;if(this.visuals.major_label_text.doit){for(m=this.model._normals(),s=m[0],a=m[1],r=this.model._computed_image_dimensions(),v=[r.width*s,r.height*a],_=v[0],d=v[1],u=this.model.label_standoff+this.model._tick_extent(),g=[u*s,u*a],p=g[0],f=g[1],y=e.coords.major,h=y[0],c=y[1],n=e.labels.major,this.visuals.major_label_text.set_value(t),t.save(),t.translate(_+p,d+f),i=o=0,l=h.length;0<=l?ol;i=0<=l?++o:--o)t.fillText(n[i],Math.round(h[i]+s*this.model.label_standoff),Math.round(c[i]+a*this.model.label_standoff));return t.restore();var m,v,g,y}},e.prototype._draw_title=function(t){if(this.visuals.title_text.doit)return t.save(),this.visuals.title_text.set_value(t),t.fillText(this.model.title,0,-this.model.title_standoff),t.restore()},e.prototype._get_label_extent=function(){var t,e,n,i;if(i=this.model.tick_info().labels.major,null==this.model.color_mapper.low||null==this.model.color_mapper.high||v.isEmpty(i))n=0;else{switch(t=this.plot_view.canvas_view.ctx,t.save(),this.visuals.major_label_text.set_value(t),this.model.orientation){case"vertical":n=m.max(function(){var n,r,o;for(o=[],n=0,r=i.length;ns;i=0<=s?++r:--r)e[i]in this.major_label_overrides&&(n[i]=this.major_label_overrides[e[i]]);return n},e.prototype.tick_info=function(){var t,e,n,i,r,o,s,a,l,u,h,c,_,p,d,f,m,v,g,y;switch(o=this._computed_image_dimensions(),this.orientation){case"vertical":v=o.height;break;case"horizontal":v=o.width}for(m=this._tick_coordinate_scale(v),b=this._normals(),i=b[0],s=b[1],x=[this.color_mapper.low,this.color_mapper.high],g=x[0],n=x[1],y=this.ticker.get_ticks(g,n,null,null,this.ticker.desired_num_ticks),e={major:[[],[]],minor:[[],[]]},c=y.major,p=y.minor,h=e.major,_=e.minor,r=a=0,d=c.length;0<=d?ad;r=0<=d?++a:--a)c[r]n||(h[i].push(c[r]),h[s].push(0));for(r=l=0,f=p.length;0<=f?lf;r=0<=f?++l:--l)p[r]n||(_[i].push(p[r]),_[s].push(0));return u={major:this._format_major_labels(h[i].slice(0),c)},h[i]=m.v_compute(h[i]),_[i]=m.v_compute(_[i]),"vertical"===this.orientation&&(h[i]=new Float64Array(function(){var e,n,r,o;for(r=h[i],o=[],n=0,e=r.length;nr;n=0<=r?++i:--i)this.title_div=s.div({"class":"bk-annotation-child",style:{display:"none"}}),o.push(this.el.appendChild(this.title_div));return o}},e.prototype.connect_signals=function(){return t.prototype.connect_signals.call(this),"css"===this.model.render_mode?(this.connect(this.model.change,function(){return this.set_data(this.model.source),this.render()}),this.connect(this.model.source.streaming,function(){return this.set_data(this.model.source),this.render()}),this.connect(this.model.source.patching,function(){return this.set_data(this.model.source),this.render()}),this.connect(this.model.source.change,function(){return this.set_data(this.model.source),this.render()})):(this.connect(this.model.change,function(){return this.set_data(this.model.source),this.plot_view.request_render()}),this.connect(this.model.source.streaming,function(){return this.set_data(this.model.source),this.plot_view.request_render()}),this.connect(this.model.source.patching,function(){return this.set_data(this.model.source),this.plot_view.request_render()}),this.connect(this.model.source.change,function(){return this.set_data(this.model.source),this.plot_view.request_render()}))},e.prototype.set_data=function(e){return t.prototype.set_data.call(this,e),this.visuals.warm_cache(e)},e.prototype._map_data=function(){var t,e,n,i,r,o;return r=this.plot_view.frame.xscales[this.model.x_range_name],o=this.plot_view.frame.yscales[this.model.y_range_name],t=null!=(e=this.model.panel)?e:this.plot_view.frame,n="data"===this.model.x_units?r.v_compute(this._x):t.xview.v_compute(this._x),i="data"===this.model.y_units?o.v_compute(this._y):t.yview.v_compute(this._y),[n,i]},e.prototype.render=function(){var t,e,n,i,r,o,a,l;if(this.model.visible||"css"!==this.model.render_mode||s.hide(this.el),this.model.visible){for(e="canvas"===this.model.render_mode?this._v_canvas_text.bind(this):this._v_css_text.bind(this),t=this.plot_view.canvas_view.ctx,u=this._map_data(),a=u[0],l=u[1],o=[],n=i=0,r=this._text.length;0<=r?ir;n=0<=r?++i:--i)o.push(e(t,n,this._text[n],a[n]+this._x_offset[n],l[n]-this._y_offset[n],this._angle[n]));return o;var u}},e.prototype._get_size=function(){var t,e,n,i;return t=this.plot_view.canvas_view.ctx,this.visuals.text.set_value(t),n=this.model.panel.side,"above"===n||"below"===n?e=t.measureText(this._text[0]).ascent:"left"===n||"right"===n?i=t.measureText(this._text[0]).width:void 0},e.prototype._v_canvas_text=function(t,e,n,i,r,o){var s;return this.visuals.text.set_vectorize(t,e),s=this._calculate_bounding_box_dimensions(t,n),t.save(),t.beginPath(),t.translate(i,r),t.rotate(o),t.rect(s[0],s[1],s[2],s[3]),this.visuals.background_fill.doit&&(this.visuals.background_fill.set_vectorize(t,e),t.fill()),this.visuals.border_line.doit&&(this.visuals.border_line.set_vectorize(t,e),t.stroke()),this.visuals.text.doit&&(this.visuals.text.set_vectorize(t,e),t.fillText(n,0,0)),t.restore()},e.prototype._v_css_text=function(t,e,n,i,r,o){var a,u,h,c;return u=this.el.childNodes[e],u.textContent=n,this.visuals.text.set_vectorize(t,e),a=this._calculate_bounding_box_dimensions(t,n),h=this.visuals.border_line.line_dash.value(),l.isArray(h)&&(c=h.length<2?"solid":"dashed"),l.isString(h)&&(c=h),this.visuals.border_line.set_vectorize(t,e),this.visuals.background_fill.set_vectorize(t,e),u.style.position="absolute",u.style.left=i+a[0]+"px",u.style.top=r+a[1]+"px",u.style.color=""+this.visuals.text.text_color.value(),u.style.opacity=""+this.visuals.text.text_alpha.value(),u.style.font=""+this.visuals.text.font_value(),u.style.lineHeight="normal",o&&(u.style.transform="rotate("+o+"rad)"),this.visuals.background_fill.doit&&(u.style.backgroundColor=""+this.visuals.background_fill.color_value()),this.visuals.border_line.doit&&(u.style.borderStyle=""+c,u.style.borderWidth=this.visuals.border_line.line_width.value()+"px",u.style.borderColor=""+this.visuals.border_line.color_value()),s.show(u)},e}(r.TextAnnotationView);var u=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.TextAnnotation);n.LabelSet=u,u.prototype.default_view=n.LabelSetView,u.prototype.type="Label",u.mixins(["text","line:border_","fill:background_"]),u.define({x:[a.NumberSpec],y:[a.NumberSpec],x_units:[a.SpatialUnits,"data"],y_units:[a.SpatialUnits,"data"],text:[a.StringSpec,{field:"text"}],angle:[a.AngleSpec,0],x_offset:[a.NumberSpec,{value:0}],y_offset:[a.NumberSpec,{value:0}],source:[a.Instance,function(){return new o.ColumnDataSource}],x_range_name:[a.String,"default"],y_range_name:[a.String,"default"],render_mode:[a.RenderMode,"canvas"]}),u.override({background_fill_color:null,border_line_color:null})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(51),o=t(15),s=t(40),a=t(23),l=t(22),u=t(30),h=t(42),c=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e)},e.prototype.connect_signals=function(){var e=this;return t.prototype.connect_signals.call(this),this.connect(this.model.properties.visible.change,function(){return e.plot_view.request_render()})},e.prototype.compute_legend_bbox=function(){var t,e,n,i,r,o,a,c,_,p,d,f,m,v,g,y,b,x,w,k,M,S,T,O,A,E,j;for(d=this.model.get_legend_names(),e=this.model.glyph_height,n=this.model.glyph_width,o=this.model.label_height,c=this.model.label_width,this.max_label_height=l.max([s.get_text_height(this.visuals.label_text.font_value()).height,o,e]),t=this.plot_view.canvas_view.ctx,t.save(),this.visuals.label_text.set_value(t),this.text_widths={},r=0,g=d.length;rr;n=0<=r?++i:--i)"screen"===this.model.xs_units&&(o=this.model.screen?a[n]:e.xview.compute(a[n])),"screen"===this.model.ys_units&&(s=this.model.screen?l[n]:e.yview.compute(l[n])),0===n?(t.beginPath(),t.moveTo(o,s)):t.lineTo(o,s);return t.closePath(),this.visuals.line.doit&&(this.visuals.line.set_value(t),t.stroke()),this.visuals.fill.doit?(this.visuals.fill.set_value(t),t.fill()):void 0}},e}(r.AnnotationView);var a=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e,n){return t.prototype.initialize.call(this,e,n),this.data_update=new o.Signal(this,"data_update")},e.prototype.update=function(t){var e=t.xs,n=t.ys;return this.setv({xs:e,ys:n,screen:!0},{silent:!0}),this.data_update.emit()},e}(r.Annotation);n.PolyAnnotation=a,a.prototype.default_view=n.PolyAnnotationView,a.prototype.type="PolyAnnotation",a.mixins(["line","fill"]),a.define({xs:[s.Array,[]],xs_units:[s.SpatialUnits,"data"],ys:[s.Array,[]],ys_units:[s.SpatialUnits,"data"],x_range_name:[s.String,"default"],y_range_name:[s.String,"default"]}),a.internal({screen:[s.Boolean,!1]}),a.override({fill_color:"#fff9ba",fill_alpha:.4,line_color:"#cccccc",line_alpha:.3})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(51),o=t(5),s=t(15);n.SpanView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e),this.plot_view.canvas_overlays.appendChild(this.el),this.el.style.position="absolute",o.hide(this.el)},e.prototype.connect_signals=function(){var e=this;return t.prototype.connect_signals.call(this),this.model.for_hover?this.connect(this.model.properties.computed_location.change,function(){return this._draw_span()}):"canvas"===this.model.render_mode?(this.connect(this.model.change,function(){return e.plot_view.request_render()}),this.connect(this.model.properties.location.change,function(){return e.plot_view.request_render()})):(this.connect(this.model.change,function(){return this.render()}),this.connect(this.model.properties.location.change,function(){return this._draw_span()}))},e.prototype.render=function(){if(this.model.visible||"css"!==this.model.render_mode||o.hide(this.el),this.model.visible)return this._draw_span()},e.prototype._draw_span=function(){var t,e,n,i,r,s,a,l,u,h,c=this;return r=this.model.for_hover?this.model.computed_location:this.model.location,null==r?void o.hide(this.el):(n=this.plot_view.frame,u=n.xscales[this.model.x_range_name],h=n.yscales[this.model.y_range_name],t=function(t,e){return c.model.for_hover?c.model.computed_location:"data"===c.model.location_units?t.compute(r):e.compute(r)},"width"===this.model.dimension?(a=t(h,n.yview),s=n._left.value,l=n._width.value,i=this.model.properties.line_width.value()):(a=n._top.value,s=t(u,n.xview),l=this.model.properties.line_width.value(),i=n._height.value),"css"===this.model.render_mode?(this.el.style.top=a+"px",this.el.style.left=s+"px",this.el.style.width=l+"px",this.el.style.height=i+"px",this.el.style.zIndex=1e3,this.el.style.backgroundColor=this.model.properties.line_color.value(),this.el.style.opacity=this.model.properties.line_alpha.value(),o.show(this.el)):"canvas"===this.model.render_mode?(e=this.plot_view.canvas_view.ctx,e.save(),e.beginPath(),this.visuals.line.set_value(e),e.moveTo(s,a),"width"===this.model.dimension?e.lineTo(s+l,a):e.lineTo(s,a+i),e.stroke(),e.restore()):void 0)},e}(r.AnnotationView);var a=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.Annotation);n.Span=a,a.prototype.default_view=n.SpanView,a.prototype.type="Span",a.mixins(["line"]),a.define({render_mode:[s.RenderMode,"canvas"],x_range_name:[s.String,"default"],y_range_name:[s.String,"default"],location:[s.Number,null],location_units:[s.SpatialUnits,"data"],dimension:[s.Dimension,"width"]}),a.override({line_color:"black"}),a.internal({for_hover:[s.Boolean,!1],computed_location:[s.Number,null]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(51),o=t(5),s=t(42),a=t(40);n.TextAnnotationView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){if(t.prototype.initialize.call(this,e),"css"===this.model.render_mode)return this.el.classList.add("bk-annotation"),this.plot_view.canvas_overlays.appendChild(this.el)},e.prototype.connect_signals=function(){var e=this;return t.prototype.connect_signals.call(this),"css"===this.model.render_mode?this.connect(this.model.change,function(){return this.render()}):this.connect(this.model.change,function(){return e.plot_view.request_render()})},e.prototype._calculate_text_dimensions=function(t,e){var n,i;return i=t.measureText(e).width,n=a.get_text_height(this.visuals.text.font_value()).height,[i,n]},e.prototype._calculate_bounding_box_dimensions=function(t,e){var n,i,r,o;switch(s=this._calculate_text_dimensions(t,e),i=s[0],n=s[1],t.textAlign){case"left":r=0;break;case"center":r=-i/2;break;case"right":r=-i}switch(t.textBaseline){case"top":o=0;break;case"middle":o=-.5*n;break;case"bottom":o=-1*n;break;case"alphabetic":o=-.8*n;break;case"hanging":o=-.17*n;break;case"ideographic":o=-.83*n}return[r,o,i,n];var s},e.prototype._get_size=function(){var t;return t=this.plot_view.canvas_view.ctx,this.visuals.text.set_value(t),t.measureText(this.model.text).ascent},e.prototype.render=function(){return null},e.prototype._canvas_text=function(t,e,n,i,r){var o;return this.visuals.text.set_value(t),o=this._calculate_bounding_box_dimensions(t,e),t.save(),t.beginPath(),t.translate(n,i),r&&t.rotate(r),t.rect(o[0],o[1],o[2],o[3]),this.visuals.background_fill.doit&&(this.visuals.background_fill.set_value(t),t.fill()),this.visuals.border_line.doit&&(this.visuals.border_line.set_value(t),t.stroke()),this.visuals.text.doit&&(this.visuals.text.set_value(t),t.fillText(e,0,0)),t.restore()},e.prototype._css_text=function(t,e,n,i,r){var a,l,u;return o.hide(this.el),this.visuals.text.set_value(t),a=this._calculate_bounding_box_dimensions(t,e),l=this.visuals.border_line.line_dash.value(),s.isArray(l)&&(u=l.length<2?"solid":"dashed"),s.isString(l)&&(u=l),this.visuals.border_line.set_value(t),this.visuals.background_fill.set_value(t),this.el.style.position="absolute",this.el.style.left=n+a[0]+"px",this.el.style.top=i+a[1]+"px",this.el.style.color=""+this.visuals.text.text_color.value(),this.el.style.opacity=""+this.visuals.text.text_alpha.value(),this.el.style.font=""+this.visuals.text.font_value(),this.el.style.lineHeight="normal",r&&(this.el.style.transform="rotate("+r+"rad)"),this.visuals.background_fill.doit&&(this.el.style.backgroundColor=""+this.visuals.background_fill.color_value()),this.visuals.border_line.doit&&(this.el.style.borderStyle=""+u,this.el.style.borderWidth=this.visuals.border_line.line_width.value()+"px",this.el.style.borderColor=""+this.visuals.border_line.color_value()),this.el.textContent=e,o.show(this.el)},e}(r.AnnotationView);var l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.Annotation);n.TextAnnotation=l,l.prototype.type="TextAnnotation",l.prototype.default_view=n.TextAnnotationView},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(64),o=t(5),s=t(15),a=t(46);n.TitleView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e),this.visuals.text=new a.Text(this.model)},e.prototype._get_location=function(){var t,e,n,i,r;switch(e=this.model.panel,t=this.model.offset,r=5,e.side){case"above":case"below":switch(this.model.vertical_align){case"top":i=e._top.value+r;break;case"middle":i=e._vcenter.value;break;case"bottom":i=e._bottom.value-r}switch(this.model.align){case"left":n=e._left.value+t;break;case"center":n=e._hcenter.value;break;case"right":n=e._right.value-t}break;case"left":switch(this.model.vertical_align){case"top":n=e._left.value-r;break;case"middle":n=e._hcenter.value;break;case"bottom":n=e._right.value+r}switch(this.model.align){case"left":i=e._bottom.value-t;break;case"center":i=e._vcenter.value;break;case"right":i=e._top.value+t}break;case"right":switch(this.model.vertical_align){case"top":n=e._right.value-r;break;case"middle":n=e._hcenter.value;break;case"bottom":n=e._left.value+r}switch(this.model.align){case"left":i=e._top.value+t;break;case"center":i=e._vcenter.value;break;case"right":i=e._bottom.value-t}}return[n,i]},e.prototype.render=function(){var t,e,n,i,r;if(!this.model.visible)return void("css"===this.model.render_mode&&o.hide(this.el));if(r=this.model.text,null!=r&&0!==r.length){return this.model.text_baseline=this.model.vertical_align,this.model.text_align=this.model.align,s=this._get_location(),n=s[0],i=s[1],t=this.model.panel.get_label_angle_heuristic("parallel"),(e="canvas"===this.model.render_mode?this._canvas_text.bind(this):this._css_text.bind(this))(this.plot_view.canvas_view.ctx,r,n,i,t);var s}},e.prototype._get_size=function(){var t,e;return e=this.model.text,null==e||0===e.length?0:(t=this.plot_view.canvas_view.ctx,this.visuals.text.set_value(t),t.measureText(e).ascent+10)},e}(r.TextAnnotationView);var l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.TextAnnotation);n.Title=l,l.prototype.default_view=n.TitleView,l.prototype.type="Title",l.mixins(["line:border_","fill:background_"]),l.define({text:[s.String],text_font:[s.Font,"helvetica"],text_font_size:[s.FontSizeSpec,"10pt"],text_font_style:[s.FontStyle,"bold"],text_color:[s.ColorSpec,"#444444"],text_alpha:[s.NumberSpec,1],vertical_align:[s.VerticalAlign,"bottom"],align:[s.TextAlign,"left"],offset:[s.Number,0],render_mode:[s.RenderMode,"canvas"]}),l.override({background_fill_color:null,border_line_color:null}),l.internal({text_align:[s.TextAlign,"left"],text_baseline:[s.TextBaseline,"bottom"]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(51),o=t(4),s=t(5),a=t(15);n.ToolbarPanelView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e),this.plot_view.canvas_events.appendChild(this.el),this._toolbar_views={},o.build_views(this._toolbar_views,[this.model.toolbar],{parent:this})},e.prototype.remove=function(){return o.remove_views(this._toolbar_views),t.prototype.remove.call(this)},e.prototype.render=function(){var e,n;return t.prototype.render.call(this),this.model.visible?(e=this.model.panel,this.el.style.position="absolute",this.el.style.left=e._left.value+"px",this.el.style.top=e._top.value+"px",this.el.style.width=e._width.value+"px",this.el.style.height=e._height.value+"px",this.el.style.overflow="hidden",n=this._toolbar_views[this.model.toolbar.id],n.render(),s.empty(this.el),this.el.appendChild(n.el),s.show(this.el)):void s.hide(this.el)},e.prototype._get_size=function(){return 30},e}(r.AnnotationView);var l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.Annotation);n.ToolbarPanel=l,l.prototype.type="ToolbarPanel",l.prototype.default_view=n.ToolbarPanelView,l.define({toolbar:[a.Instance]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(51),o=t(5),s=t(15),a=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e),this.plot_view.canvas_overlays.appendChild(this.el),this.el.style.zIndex=1010,o.hide(this.el)},e.prototype.connect_signals=function(){return t.prototype.connect_signals.call(this),this.connect(this.model.properties.data.change,function(){return this._draw_tips()})},e.prototype.render=function(){if(this.model.visible)return this._draw_tips()},e.prototype._draw_tips=function(){var t,e,n,i,r,s,a,l,u,h,c,_,p,d;if(i=this.model.data,o.empty(this.el),o.hide(this.el),this.model.custom?this.el.classList.add("bk-tooltip-custom"):this.el.classList.remove("bk-tooltip-custom"),0!==i.length){for(r=this.plot_view.frame,s=0,l=i.length;s0?(this.el.style.top=p+"px",this.el.style.left=a+"px"):o.hide(this.el)}},e}(r.AnnotationView);n.TooltipView=a,a.prototype.className="bk-tooltip";var l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.clear=function(){return this.data=[]},e.prototype.add=function(t,e,n){var i;return i=this.data,i.push([t,e,n]),this.data=i,this.properties.data.change.emit()},e}(r.Annotation);n.Tooltip=l,l.prototype.default_view=a,l.prototype.type="Tooltip",l.define({attachment:[s.String,"horizontal"],inner_only:[s.Bool,!0],show_arrow:[s.Bool,!0]}),l.override({level:"overlay"}),l.internal({data:[s.Any,[]],custom:[s.Any]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(51),o=t(173),s=t(53),a=t(15);n.WhiskerView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e),this.set_data(this.model.source)},e.prototype.connect_signals=function(){return t.prototype.connect_signals.call(this),this.connect(this.model.source.streaming,function(){return this.set_data(this.model.source)}),this.connect(this.model.source.patching,function(){return this.set_data(this.model.source)}),this.connect(this.model.source.change,function(){return this.set_data(this.model.source)})},e.prototype.set_data=function(e){return t.prototype.set_data.call(this,e),this.visuals.warm_cache(e),this.plot_view.request_render()},e.prototype._map_data=function(){var t,e,n,i,r,o,s,a,l,u,h,c,_,p,d;return l=this.plot_model.frame,a=this.model.dimension,p=l.xscales[this.model.x_range_name],d=l.yscales[this.model.y_range_name],c="height"===a?d:p,o="height"===a?p:d,_="height"===a?l.yview:l.xview,s="height"===a?l.xview:l.yview,n="data"===this.model.lower.units?c.v_compute(this._lower):_.v_compute(this._lower),r="data"===this.model.upper.units?c.v_compute(this._upper):_.v_compute(this._upper),t="data"===this.model.base.units?o.v_compute(this._base):s.v_compute(this._base),f="height"===a?[1,0]:[0,1],u=f[0],h=f[1],e=[n,t],i=[r,t],this._lower_sx=e[u],this._lower_sy=e[h],this._upper_sx=i[u],this._upper_sy=i[h];var f},e.prototype.render=function(){var t,e,n,i,r,o,s,a,l,u;if(this.model.visible){if(this._map_data(),e=this.plot_view.canvas_view.ctx,this.visuals.line.doit)for(n=i=0,s=this._lower_sx.length;0<=s?is;n=0<=s?++i:--i)this.visuals.line.set_vectorize(e,n),e.beginPath(),e.moveTo(this._lower_sx[n],this._lower_sy[n]),e.lineTo(this._upper_sx[n],this._upper_sy[n]),e.stroke();if(t="height"===this.model.dimension?0:Math.PI/2,null!=this.model.lower_head)for(n=r=0,a=this._lower_sx.length;0<=a?ra;n=0<=a?++r:--r)e.save(),e.translate(this._lower_sx[n],this._lower_sy[n]),e.rotate(t+Math.PI),this.model.lower_head.render(e,n),e.restore();if(null!=this.model.upper_head){for(u=[],n=o=0,l=this._upper_sx.length;0<=l?ol;n=0<=l?++o:--o)e.save(),e.translate(this._upper_sx[n],this._upper_sy[n]),e.rotate(t),this.model.upper_head.render(e,n),u.push(e.restore());return u}}},e}(r.AnnotationView);var l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.Annotation);n.Whisker=l,l.prototype.default_view=n.WhiskerView,l.prototype.type="Whisker",l.mixins(["line"]),l.define({lower:[a.DistanceSpec],lower_head:[a.Instance,function(){return new s.TeeHead({level:"underlay",size:10})}],upper:[a.DistanceSpec],upper_head:[a.Instance,function(){return new s.TeeHead({level:"underlay",size:10})}],base:[a.DistanceSpec],dimension:[a.Dimension,"height"],source:[a.Instance,function(){return new o.ColumnDataSource}],x_range_name:[a.String,"default"],y_range_name:[a.String,"default"]}),l.override({level:"underlay"})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(12),o=t(163),s=t(165),a=t(14),l=t(15),u=t(22),h=t(42);n.AxisView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.render=function(){var t,e,n;if(this.model.visible!==!1)return e={tick:this._tick_extent(),tick_label:this._tick_label_extents(),axis_label:this._axis_label_extent()},n=this.model.tick_coords,t=this.plot_view.canvas_view.ctx,t.save(),this._draw_rule(t,e),this._draw_major_ticks(t,e,n),this._draw_minor_ticks(t,e,n),this._draw_major_labels(t,e,n),this._draw_axis_label(t,e,n),null!=this._render&&this._render(t,e,n),t.restore()},e.prototype.connect_signals=function(){var e=this;return t.prototype.connect_signals.call(this),this.connect(this.model.change,function(){return e.plot_view.request_render()})},e.prototype._get_size=function(){return this._tick_extent()+this._tick_label_extent()+this._axis_label_extent()},e.prototype.get_size=function(){return this.model.visible?Math.round(this._get_size()):0},e.prototype._draw_rule=function(t,e,n){var i,r,o,s,a,l,u,h,c,_,p;if(this.visuals.axis_line.doit){for(d=this.model.rule_coords,h=d[0],_=d[1],f=this.plot_view.map_to_screen(h,_,this.model.x_range_name,this.model.y_range_name),l=f[0],u=f[1],m=this.model.normals,o=m[0],s=m[1],v=this.model.offsets,c=v[0],p=v[1],this.visuals.axis_line.set_value(t),t.beginPath(),t.moveTo(Math.round(l[0]+o*c),Math.round(u[0]+s*p)),i=r=1,a=l.length;1<=a?ra;i=1<=a?++r:--r)l=Math.round(l[i]+o*c),u=Math.round(u[i]+s*p),t.lineTo(l,u);t.stroke();var d,f,m,v}},e.prototype._draw_major_ticks=function(t,e,n){var i,r,o;i=this.model.major_tick_in,r=this.model.major_tick_out,o=this.visuals.major_tick_line,this._draw_ticks(t,n.major,i,r,o)},e.prototype._draw_minor_ticks=function(t,e,n){var i,r,o;i=this.model.minor_tick_in,r=this.model.minor_tick_out,o=this.visuals.minor_tick_line,this._draw_ticks(t,n.minor,i,r,o)},e.prototype._draw_major_labels=function(t,e,n){var i,r,o,s,a;i=n.major,r=this.model.compute_labels(i[this.model.dimension]),o=this.model.major_label_orientation,s=e.tick+this.model.major_label_standoff,a=this.visuals.major_label_text,this._draw_oriented_labels(t,r,i,o,this.model.panel_side,s,a)},e.prototype._draw_axis_label=function(t,e,n){var i,r,o,s,a;if(null!=this.model.axis_label&&0!==this.model.axis_label.length){switch(this.model.panel.side){case"above":o=this.model.panel._hcenter.value,s=this.model.panel._bottom.value;break;case"below":o=this.model.panel._hcenter.value,s=this.model.panel._top.value;break;case"left":o=this.model.panel._right.value,s=this.model.panel._vcenter._value;break;case"right":o=this.model.panel._left.value,s=this.model.panel._vcenter._value}i=[[o],[s]],r=e.tick+u.sum(e.tick_label)+this.model.axis_label_standoff,a=this.visuals.axis_label_text,this._draw_oriented_labels(t,[this.model.axis_label],i,"parallel",this.model.panel_side,r,a,"screen")}},e.prototype._draw_ticks=function(t,e,n,i,r){var o,s,a,l,u,h,c,_,p,d,f,m,v,g,y,b,x,w,k;if(r.doit&&0!==e.length){for(b=e[0],w=e[1],M=this.plot_view.map_to_screen(b,w,this.model.x_range_name,this.model.y_range_name),m=M[0],y=M[1],S=this.model.normals,a=S[0],h=S[1],T=this.model.offsets,x=T[0],k=T[1],O=[a*(x-n),h*(k-n)],l=O[0],c=O[1],A=[a*(x+i),h*(k+i)],u=A[0],_=A[1],r.set_value(t),o=s=0,p=m.length;0<=p?sp;o=0<=p?++s:--s)d=Math.round(m[o]+u),v=Math.round(y[o]+_),f=Math.round(m[o]+l),g=Math.round(y[o]+c),t.beginPath(),t.moveTo(d,v),t.lineTo(f,g),t.stroke();var M,S,T,O,A}},e.prototype._draw_oriented_labels=function(t,e,n,i,r,o,s,a){void 0===a&&(a="data");var l,u,c,_,p,d,f,m,v,g,y,b,x,w,k,M;if(s.doit&&0!==e.length){for("screen"===a?(b=n[0],w=n[1],S=[0,0],k=S[0],M=S[1]):(u=n[0],c=n[1],T=this.plot_view.map_to_screen(u,c,this.model.x_range_name,this.model.y_range_name),b=T[0],w=T[1],O=this.model.offsets,k=O[0],M=O[1]),A=this.model.normals,d=A[0],m=A[1],f=d*(k+o),v=m*(M+o),s.set_value(t),this.model.panel.apply_label_text_heuristics(t,i),l=h.isString(i)?this.model.panel.get_label_angle_heuristic(i):-i,_=p=0,g=b.length;0<=g?pg;_=0<=g?++p:--p)y=Math.round(b[_]+f),x=Math.round(w[_]+v),t.translate(y,x),t.rotate(l),t.fillText(e[_],0,0),t.rotate(-l),t.translate(-y,-x);var S,T,O,A}},e.prototype._axis_label_extent=function(){var t,e;return null==this.model.axis_label||""===this.model.axis_label?0:(t=this.model.axis_label_standoff,e=this.visuals.axis_label_text,this._oriented_labels_extent([this.model.axis_label],"parallel",this.model.panel_side,t,e))},e.prototype._tick_extent=function(){return this.model.major_tick_out},e.prototype._tick_label_extent=function(){return u.sum(this._tick_label_extents())},e.prototype._tick_label_extents=function(){var t,e,n,i,r;return t=this.model.tick_coords.major,e=this.model.compute_labels(t[this.model.dimension]),n=this.model.major_label_orientation,i=this.model.major_label_standoff,r=this.visuals.major_label_text,[this._oriented_labels_extent(e,n,this.model.panel_side,i,r)]},e.prototype._tick_label_extent=function(){return u.sum(this._tick_label_extents())},e.prototype._oriented_labels_extent=function(t,e,n,i,r){var o,s,a,l,u,c,_,p,d,f,m,v;if(0===t.length)return 0;for(a=this.plot_view.canvas_view.ctx,r.set_value(a),h.isString(e)?(c=1,o=this.model.panel.get_label_angle_heuristic(e)):(c=2,o=-e),o=Math.abs(o),s=Math.cos(o),f=Math.sin(o),l=0,_=p=0,d=t.length;0<=d?pd;_=0<=d?++p:--p)v=1.1*a.measureText(t[_]).width,u=.9*a.measureText(t[_]).ascent,m="above"===n||"below"===n?v*f+u/c*s:v*s+u/c*f,m>l&&(l=m);return l>0&&(l+=i),l},e}(s.RendererView);var c=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.compute_labels=function(t){var e,n,i,r;for(i=this.formatter.doFormat(t,this),e=n=0,r=t.length;0<=r?nr;e=0<=r?++n:--n)t[e]in this.major_label_overrides&&(i[e]=this.major_label_overrides[t[e]]);return i},e.prototype.label_info=function(t){var e,n;return n=this.major_label_orientation,e={dim:this.dimension,coords:t,side:this.panel_side,orient:n,standoff:this.major_label_standoff}},e.prototype.add_panel=function(t){return this.panel=new r.SidePanel({side:t}),this.panel.attach_document(this.document),this.panel_side=t},e.prototype._offsets=function(){var t,e,n,i;switch(e=this.panel_side,r=[0,0],n=r[0],i=r[1],t=this.plot.plot_canvas.frame,e){case"below":i=Math.abs(this.panel._top.value-t._bottom.value);break;case"above":i=Math.abs(this.panel._bottom.value-t._top.value);break;case"right":n=Math.abs(this.panel._left.value-t._right.value);break;case"left":n=Math.abs(this.panel._right.value-t._left.value)}return[n,i];var r},e.prototype._ranges=function(){var t,e,n,i;return e=this.dimension,n=(e+1)%2,t=this.plot.plot_canvas.frame,i=[t.x_ranges[this.x_range_name],t.y_ranges[this.y_range_name]],[i[e],i[n]]},e.prototype._computed_bounds=function(){var t,e,n,i,r,o,s;return l=this.ranges,n=l[0],t=l[1],s=null!=(r=this.bounds)?r:"auto",i=[n.min,n.max],"auto"===s?i:h.isArray(s)?(Math.abs(s[0]-s[1])>Math.abs(i[0]-i[1])?(o=Math.max(Math.min(s[0],s[1]),i[0]),e=Math.min(Math.max(s[0],s[1]),i[1])):(o=Math.min(s[0],s[1]),e=Math.max(s[0],s[1])),[o,e]):(a.logger.error("user bounds '"+s+"' not understood"),null);var l},e.prototype._rule_coords=function(){var t,e,n,i,r,o,s,a,l;return i=this.dimension,r=(i+1)%2,u=this.ranges,o=u[0],e=u[1],h=this.computed_bounds, -s=h[0],n=h[1],a=new Array(2),l=new Array(2),t=[a,l],t[i][0]=Math.max(s,o.min),t[i][1]=Math.min(n,o.max),t[i][0]>t[i][1]&&(t[i][0]=t[i][1]=NaN),t[r][0]=this.loc,t[r][1]=this.loc,t;var u,h},e.prototype._tick_coords=function(){var t,e,n,i,r,o,s,a,l,u,h,c,_,p,d,f,m,v,g,y,b,x;for(i=this.dimension,o=(i+1)%2,w=this.ranges,p=w[0],e=w[1],k=this.computed_bounds,g=k[0],n=k[1],y=this.ticker.get_ticks(g,n,p,this.loc,{}),l=y.major,_=y.minor,b=[],x=[],t=[b,x],h=[],c=[],u=[h,c],M=[p.min,p.max],f=M[0],d=M[1],r=s=0,m=l.length;0<=m?sm;r=0<=m?++s:--s)l[r]d||(t[i].push(l[r]),t[o].push(this.loc));for(r=a=0,v=_.length;0<=v?av;r=0<=v?++a:--a)_[r]d||(u[i].push(_[r]),u[o].push(this.loc));return{major:t,minor:u};var w,k,M},e.prototype._get_loc=function(){var t,e,n,i,r;switch(o=this.ranges,i=o[0],e=o[1],n=e.start,t=e.end,r=this.panel_side){case"left":case"below":return e.start;case"right":case"above":return e.end}var o},e}(o.GuideRenderer);n.Axis=c,c.prototype.default_view=n.AxisView,c.prototype.type="Axis",c.mixins(["line:axis_","line:major_tick_","line:minor_tick_","text:major_label_","text:axis_label_"]),c.define({bounds:[l.Any,"auto"],ticker:[l.Instance,null],formatter:[l.Instance,null],x_range_name:[l.String,"default"],y_range_name:[l.String,"default"],axis_label:[l.String,""],axis_label_standoff:[l.Int,5],major_label_standoff:[l.Int,5],major_label_orientation:[l.Any,"horizontal"],major_label_overrides:[l.Any,{}],major_tick_in:[l.Number,2],major_tick_out:[l.Number,6],minor_tick_in:[l.Number,0],minor_tick_out:[l.Number,4]}),c.override({axis_line_color:"black",major_tick_line_color:"black",minor_tick_line_color:"black",major_label_text_font_size:"8pt",major_label_text_align:"center",major_label_text_baseline:"alphabetic",axis_label_text_font_size:"10pt",axis_label_text_font_style:"italic"}),c.internal({panel_side:[l.Any]}),c.getters({computed_bounds:function(){return this._computed_bounds()},rule_coords:function(){return this._rule_coords()},tick_coords:function(){return this._tick_coords()},ranges:function(){return this._ranges()},normals:function(){return this.panel._normals},dimension:function(){return this.panel._dim},offsets:function(){return this._offsets()},loc:function(){return this._get_loc()}})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(69),o=t(92),s=t(181);n.CategoricalAxisView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype._render=function(t,e,n){return this._draw_group_separators(t,e,n)},e.prototype._draw_group_separators=function(t,e,n){var i,r,o,s,a,l,u,h,c,_,p,d,f,m,v,g,y,b,x,w,k;if(M=this.model.ranges,v=M[0],o=M[1],S=this.model.computed_bounds,x=S[0],a=S[1],f=this.model.loc,k=this.model.ticker.get_ticks(x,a,v,f,{}),T=this.model.ranges,v=T[0],o=T[1],v.tops&&!(v.tops.length<2)&&this.visuals.separator_line.doit){for(s=this.model.dimension,i=(s+1)%2,r=[[],[]],h=0,u=_=0,g=v.tops.length-1;0<=g?_g;u=0<=g?++_:--_){for(c=p=y=h,b=v.factors.length;y<=b?pb;c=y<=b?++p:--p)if(v.factors[c][0]===v.tops[u+1]){O=[v.factors[c-1],v.factors[c]],l=O[0],d=O[1],h=c;break}m=(v.synthetic(l)+v.synthetic(d))/2,m>x&&m_;s=0<=_?++l:--l)f=a[s],u=f[0],r=f[1],c=f[2],d=f[3],this._draw_oriented_labels(t,u,r,c,this.model.panel_side,p,d),p+=e.tick_label[s];var f},e.prototype._tick_label_extents=function(){var t,e,n,i,r,o,s,a,l;for(i=this._get_factor_info(),n=[],r=0,s=i.length;r1&&(t.tops[i]=a.tops,t.tops[r]=function(){var t,e,n,i;for(n=a.tops,i=[],t=0,e=n.length;ti;e=0<=i?++n:--n)r.push(this[e]=t[e]);return r});var _=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){switch(t.prototype.initialize.call(this,e),this.map_el=this.model.map?this.el.appendChild(u.div({"class":"bk-canvas-map"})):null,this.model.output_backend){case"canvas":case"webgl":this.canvas_el=this.el.appendChild(u.canvas({"class":"bk-canvas"})),this._ctx=this.canvas_el.getContext("2d");break;case"svg":this._ctx=new c,this.canvas_el=this.el.appendChild(this._ctx.getSvg())}return this.overlays_el=this.el.appendChild(u.div({"class":"bk-canvas-overlays"})),this.events_el=this.el.appendChild(u.div({"class":"bk-canvas-events"})),this.ctx=this.get_ctx(),h.fixup_ctx(this.ctx),a.logger.debug("CanvasView initialized")},e.prototype.get_ctx=function(){return this._ctx},e.prototype.get_canvas_element=function(){return this.canvas_el},e.prototype.prepare_canvas=function(){var t,e,n;return n=this.model._width.value,t=this.model._height.value,this.el.style.width=n+"px",this.el.style.height=t+"px",e=h.get_scale_ratio(this.ctx,this.model.use_hidpi,this.model.output_backend),this.model.pixel_ratio=e,this.canvas_el.style.width=n+"px",this.canvas_el.style.height=t+"px",this.canvas_el.setAttribute("width",n*e),this.canvas_el.setAttribute("height",t*e),a.logger.debug("Rendering CanvasView with width: "+n+", height: "+t+", pixel ratio: "+e)},e.prototype.set_dims=function(t){var e=t[0],n=t[1];if(0!==e&&0!==n)return e!==this.model._width.value&&(null!=this._width_constraint&&this.solver.has_constraint(this._width_constraint)&&this.solver.remove_constraint(this._width_constraint),this._width_constraint=s.EQ(this.model._width,-e),this.solver.add_constraint(this._width_constraint)),n!==this.model._height.value&&(null!=this._height_constraint&&this.solver.has_constraint(this._height_constraint)&&this.solver.remove_constraint(this._height_constraint),this._height_constraint=s.EQ(this.model._height,-n),this.solver.add_constraint(this._height_constraint)),this.solver.update_variables()},e}(o.DOMView);n.CanvasView=_,_.prototype.className="bk-canvas-wrapper";var p=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.LayoutCanvas);n.Canvas=p,p.prototype.type="Canvas",p.prototype.default_view=_,p.internal({map:[l.Boolean,!1],use_hidpi:[l.Boolean,!0],pixel_ratio:[l.Number,1],output_backend:[l.OutputBackend,"canvas"]}),p.getters({panel:function(){return this}})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(166),o=t(168),s=t(169),a=t(160),l=t(156),u=t(157),h=t(11),c=t(15),_=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e,n){var i=this;return t.prototype.initialize.call(this,e,n),this._configure_scales(),this.connect(this.change,function(){return i._configure_scales()})},e.prototype.get_editables=function(){return t.prototype.get_editables.call(this).concat([this._width,this._height])},e.prototype.map_to_screen=function(t,e,n,i){void 0===n&&(n="default"),void 0===i&&(i="default");var r,o;return r=this.xscales[n].v_compute(t),o=this.yscales[i].v_compute(e),[r,o]},e.prototype._get_ranges=function(t,e){var n,i,r;if(r={},r["default"]=t,null!=e)for(i in e)n=e[i],r[i]=n;return r},e.prototype._get_scales=function(t,e,n){var i,h,c,_;_={};for(i in e){if(h=e[i],h instanceof l.DataRange1d||h instanceof 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null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.XYGlyph);n.Ellipse=s,s.prototype.default_view=n.EllipseView,s.prototype.type="Ellipse",s.mixins(["line","fill"]),s.define({angle:[o.AngleSpec,0],width:[o.DistanceSpec],height:[o.DistanceSpec]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(9),o=t(15),s=t(23),a=t(32),l=t(45),u=t(50),h=t(46),c=t(14),_=t(30),p=t(42),d=t(114);n.GlyphView=function(e){function n(){return null!==e&&e.apply(this,arguments)||this}return i.__extends(n,e),n.prototype.initialize=function(n){var i,r,o,s;if(e.prototype.initialize.call(this,n),this._nohit_warned={},this.renderer=n.renderer,this.visuals=new h.Visuals(this.model),r=this.renderer.plot_view.canvas_view.ctx,null!=r.glcanvas){try{s=t(425)}catch(a){if(o=a,"MODULE_NOT_FOUND"!==o.code)throw o;c.logger.warn("WebGL was requested and is supported, but bokeh-gl(.min).js is not available, falling back to 2D rendering."),s=null}if(null!=s&&(i=s[this.model.type+"GLGlyph"],null!=i))return this.glglyph=new i(r.glcanvas.gl,this)}},n.prototype.set_visuals=function(t){if(this.visuals.warm_cache(t),null!=this.glglyph)return this.glglyph.set_visuals_changed()},n.prototype.render=function(t,e,n){if(t.beginPath(),null==this.glglyph||!this.glglyph.render(t,e,n))return this._render(t,e,n)},n.prototype.has_finished=function(){return!0},n.prototype.notify_finished=function(){return this.renderer.notify_finished()},n.prototype.bounds=function(){return null==this.index?s.empty():this._bounds(this.index.bbox)},n.prototype.log_bounds=function(){var t,e,n,i,r,o,a,l,u;if(null==this.index)return s.empty();for(t=s.empty(),o=this.index.search(s.positive_x()),a=this.index.search(s.positive_y()),e=0,i=o.length;et.maxX&&(t.maxX=l.maxX);for(n=0,r=a.length;nt.maxY&&(t.maxY=u.maxY);return this._bounds(t)},n.prototype.max_wh2_bounds=function(t){return{minX:t.minX-this.max_w2,maxX:t.maxX+this.max_w2,minY:t.minY-this.max_h2,maxY:t.maxY+this.max_h2}},n.prototype.get_anchor_point=function(t,e,n){var i=n[0],r=n[1];switch(t){case"center":return{x:this.scx(e,i,r),y:this.scy(e,i,r)};default:return null}},n.prototype.scx=function(t){return this.sx[t]},n.prototype.scy=function(t){return this.sy[t]},n.prototype.sdist=function(t,e,n,i,r){void 0===i&&(i="edge"),void 0===r&&(r=!1);var o,s,a,l,u,h,c;return null!=t.source_range.v_synthetic&&(e=t.source_range.v_synthetic(e)),"center"===i?(s=function(){var t,e,i;for(i=[],t=0,e=n.length;tn;a=0<=n?++t:--t)i.push(e[a]-s[a]);return i}(),u=function(){var t,n,i;for(i=[],a=t=0,n=e.length;0<=n?tn;a=0<=n?++t:--t)i.push(e[a]+s[a]);return i}()):(l=e,u=function(){var t,e,i;for(i=[],a=t=0,e=l.length;0<=e?te;a=0<=e?++t:--t)i.push(l[a]+n[a]);return i}()),h=t.v_compute(l),c=t.v_compute(u),r?function(){var t,e,n;for(n=[],a=t=0,e=h.length;0<=e?te;a=0<=e?++t:--t)n.push(Math.ceil(Math.abs(c[a]-h[a])));return n}():function(){var t,e,n;for(n=[],a=t=0,e=h.length;0<=e?te;a=0<=e?++t:--t)n.push(Math.abs(c[a]-h[a]));return n}()},n.prototype.draw_legend_for_index=function(t,e,n,i,r,o){return null},n.prototype._generic_line_legend=function(t,e,n,i,r,o){return t.save(),t.beginPath(),t.moveTo(e,(i+r)/2),t.lineTo(n,(i+r)/2),this.visuals.line.doit&&(this.visuals.line.set_vectorize(t,o),t.stroke()),t.restore()},n.prototype._generic_area_legend=function(t,e,n,i,r,o){var s,a,l,u,h,c,_,p,d;if(u=[o],d=Math.abs(n-e),a=.1*d,l=Math.abs(r-i),s=.1*l,h=e+a,c=n-a,_=i+s,p=r-s,this.visuals.fill.doit&&(this.visuals.fill.set_vectorize(t,o),t.fillRect(h,_,c-h,p-_)),this.visuals.line.doit)return t.beginPath(),t.rect(h,_,c-h,p-_),this.visuals.line.set_vectorize(t,o),t.stroke()},n.prototype.hit_test=function(t){var e,n;return n=null,e="_hit_"+t.type,null!=this[e]?n=this[e](t):null==this._nohit_warned[t.type]&&(c.logger.debug("'"+t.type+"' selection not available for "+this.model.type),this._nohit_warned[t.type]=!0),n},n.prototype._hit_rect_against_index=function(t){var e,n,i,o,s,a,l,u,h,c;return i=t.sx0,o=t.sx1,s=t.sy0,a=t.sy1,_=this.renderer.xscale.r_invert(i,o),l=_[0],u=_[1],p=this.renderer.yscale.r_invert(s,a),h=p[0],c=p[1],e=r.validate_bbox_coords([l,u],[h,c]),n=r.create_hit_test_result(),n["1d"].indices=this.index.indices(e),n;var _,p},n.prototype.set_data=function(t,e,n){var i,r,o,s,l,u,h,c,p,f,m,v;if(i=this.model.materialize_dataspecs(t),this.visuals.set_all_indices(e),e&&!(this instanceof d.LineView)){r={};for(l in i)c=i[l],"_"===l.charAt(0)?r[l]=function(){var t,n,i;for(i=[],t=0,n=e.length;tl;t=0<=l?++n:--n)g=this.map_to_screen(this[d][t],this[f][t]),u=g[0],c=g[1],this[h].push(u),this[_].push(c);else y=this.map_to_screen(this[d],this[f]),this[h]=y[0],this[_]=y[1];return this._map_data();var m,v,g,y},n.prototype._map_data=function(){},n.prototype.map_to_screen=function(t,e){return this.renderer.plot_view.map_to_screen(t,e,this.model.x_range_name,this.model.y_range_name)},n}(l.View);var f=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.coords=function(t){var e,n,i,r,s,a;for(e=this.prototype._coords.concat(t),this.prototype._coords=e,r={},n=0,i=t.length;nn;t=0<=n?++e:--e)this.stop.push(this.sy[t]-this.sh[t]/2),this.sbottom.push(this.sy[t]+this.sh[t]/2);return null},e}(r.BoxView);var s=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.Box);n.HBar=s,s.prototype.default_view=n.HBarView,s.prototype.type="HBar",s.coords([["left","y"]]),s.define({height:[o.DistanceSpec],right:[o.NumberSpec]}),s.override({left:0})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i,r=t(364),o=t(128),s=t(146),a=t(15),l=t(22);n.ImageView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return r.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e),this.connect(this.model.color_mapper.change,function(){return this._update_image()})},e.prototype._update_image=function(){if(null!=this.image_data)return this._set_data(),this.renderer.plot_view.request_render()},e.prototype._set_data=function(){var t,e,n,i,r,o,s,a,u,h,c,_;for(null!=this.image_data&&this.image_data.length===this._image.length||(this.image_data=new Array(this._image.length)),null!=this._width&&this._width.length===this._image.length||(this._width=new Array(this._image.length)),null!=this._height&&this._height.length===this._image.length||(this._height=new Array(this._image.length)),c=[],o=u=0,h=this._image.length;0<=h?uh;o=0<=h?++u:--u)_=[],null!=this._image_shape&&(_=this._image_shape[o]),_.length>0?(a=this._image[o],this._height[o]=_[0],this._width[o]=_[1]):(a=l.concat(this._image[o]),this._height[o]=this._image[o].length,this._width[o]=this._image[o][0].length),null!=this.image_data[o]&&this.image_data[o].width===this._width[o]&&this.image_data[o].height===this._height[o]?n=this.image_data[o]:(n=document.createElement("canvas"),n.width=this._width[o],n.height=this._height[o]),r=n.getContext("2d"),s=r.getImageData(0,0,this._width[o],this._height[o]),i=this.model.color_mapper,t=i.v_map_screen(a,!0),e=new Uint8Array(t),s.data.set(e),r.putImageData(s,0,0),this.image_data[o]=n,this.max_dw=0,"data"===this._dw.units&&(this.max_dw=l.max(this._dw)),this.max_dh=0,"data"===this._dh.units?c.push(this.max_dh=l.max(this._dh)):c.push(void 0);return c},e.prototype._map_data=function(){switch(this.model.properties.dw.units){case"data":this.sw=this.sdist(this.renderer.xscale,this._x,this._dw,"edge",this.model.dilate);break;case"screen":this.sw=this._dw}switch(this.model.properties.dh.units){case"data":return this.sh=this.sdist(this.renderer.yscale,this._y,this._dh,"edge",this.model.dilate);case"screen":return this.sh=this._dh}},e.prototype._render=function(t,e,n){var i,r,o,s,a,l=n.image_data,u=n.sx,h=n.sy,c=n.sw,_=n.sh;for(s=t.getImageSmoothingEnabled(),t.setImageSmoothingEnabled(!1),r=0,o=e.length;rd;u=0<=d?++_:--_)if(!(null!=e&&e.indexOf(u)<0)){if(v=[],null!=this._image_shape&&(v=this._image_shape[u]),v.length>0)n=this._image[u].buffer,this._height[u]=v[0],this._width[u]=v[1];else{for(l=s.concat(this._image[u]),n=new ArrayBuffer(4*l.length),o=new Uint32Array(n),c=p=0,f=l.length;0<=f?pf;c=0<=f?++p:--p)o[c]=l[c];this._height[u]=this._image[u].length,this._width[u]=this._image[u][0].length}null!=this.image_data[u]&&this.image_data[u].width===this._width[u]&&this.image_data[u].height===this._height[u]?r=this.image_data[u]:(r=document.createElement("canvas"),r.width=this._width[u],r.height=this._height[u]),a=r.getContext("2d"),h=a.getImageData(0,0,this._width[u],this._height[u]),i=new Uint8Array(n),h.data.set(i),a.putImageData(h,0,0),this.image_data[u]=r,this.max_dw=0,"data"===this._dw.units&&(this.max_dw=s.max(this._dw)),this.max_dh=0,"data"===this._dh.units?m.push(this.max_dh=s.max(this._dh)):m.push(void 0)}return m},e.prototype._map_data=function(){switch(this.model.properties.dw.units){case"data":this.sw=this.sdist(this.renderer.xscale,this._x,this._dw,"edge",this.model.dilate);break;case"screen":this.sw=this._dw}switch(this.model.properties.dh.units){case"data":return this.sh=this.sdist(this.renderer.yscale,this._y,this._dh,"edge",this.model.dilate);case"screen":return this.sh=this._dh}},e.prototype._render=function(t,e,n){var i,r,o,s,a,l=n.image_data,u=n.sx,h=n.sy,c=n.sw,_=n.sh;for(s=t.getImageSmoothingEnabled(),t.setImageSmoothingEnabled(!1),r=0,o=e.length;ri;t=0<=i?++n:--n)null!=this._url[t]&&(e=new Image,e.onerror=function(t,e){return function(){return l.retries[t]>0?(o.logger.trace("ImageURL failed to load "+l._url[t]+" image, retrying in "+a+" ms"),setTimeout(function(){return e.src=l._url[t]},a)):o.logger.warn("ImageURL unable to load "+l._url[t]+" image after "+s+" retries"),l.retries[t]-=1}}(t,e),e.onload=function(t,e){return function(){return l.image[e]=t,l.renderer.request_render()}}(e,t),r.push(e.src=this._url[t]));return r},e.prototype.has_finished=function(){return t.prototype.has_finished.call(this)&&this._images_rendered===!0},e.prototype._map_data=function(){var t,e,n;switch(e=function(){var t,e,i,r;if(null!=this.model.w)return this._w;for(i=this._x,r=[],t=0,e=i.length;t1&&(t.stroke(),i=!1)}i?t.lineTo(l[r],u[r]):(t.beginPath(),t.moveTo(l[r],u[r]),i=!0),s=r}if(i)return t.stroke()},e.prototype._hit_point=function(t){var e,n,i,r,s,a,l,u,h,c;for(u=o.create_hit_test_result(),a={x:t.sx,y:t.sy},h=9999,c=Math.max(2,this.visuals.line.line_width.value()/2),n=i=0,l=this.sx.length-1;0<=l?il;n=0<=l?++i:--i)_=[{x:this.sx[n],y:this.sy[n]},{x:this.sx[n+1],y:this.sy[n+1]}],r=_[0],s=_[1],e=o.dist_to_segment(a,r,s),ei;e=0<=i?++n:--n)(u[e]<=l&&l<=u[e+1]||u[e+1]<=l&&l<=u[e])&&(r["0d"].glyph=this.model,r["0d"].get_view=function(){return this}.bind(this),r["0d"].flag=!0,r["0d"].indices.push(e));return r},e.prototype.get_interpolation_hit=function(t,e){var n,i,r,s,a,l,u,h,c,_,p;return i=e.sx,r=e.sy,d=[this._x[t],this._y[t],this._x[t+1],this._y[t+1]],l=d[0],_=d[1],u=d[2],p=d[3],"point"===e.type?(f=this.renderer.yscale.r_invert(r-1,r+1),h=f[0],c=f[1],m=this.renderer.xscale.r_invert(i-1,i+1),s=m[0],a=m[1]):"v"===e.direction?(v=this.renderer.yscale.r_invert(r,r),h=v[0],c=v[1],g=[l,u],s=g[0],a=g[1]):(y=this.renderer.xscale.r_invert(i,i),s=y[0],a=y[1],b=[_,p],h=b[0],c=b[1]),n=o.check_2_segments_intersect(s,h,a,c,l,_,u,p),[n.x,n.y];var d,f,m,v,g,y,b},e.prototype.draw_legend_for_index=function(t,e,n,i,r,o){return this._generic_line_legend(t,e,n,i,r,o)},e}(r.XYGlyphView);var s=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.XYGlyph);n.Line=s,s.prototype.default_view=n.LineView,s.prototype.type="Line",s.mixins(["line"])},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(36),o=t(9),s=t(22),a=t(42),l=t(108);n.MultiLineView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype._index_data=function(){var t,e,n,i,o,l,u,h;for(n=[],t=e=0,i=this._xs.length;0<=i?ei;t=0<=i?++e:--e)null!==this._xs[t]&&0!==this._xs[t].length&&(l=function(){var e,n,i,r;for(i=this._xs[t],r=[],e=0,n=i.length;el;r=0<=l?++s:--s)0!==r?isNaN(h[r])||isNaN(c[r])?(t.stroke(),t.beginPath()):t.lineTo(h[r],c[r]):(t.beginPath(),t.moveTo(h[r],c[r]));u.push(t.stroke())}return u;var d},e.prototype._hit_point=function(t){var e,n,i,r,s,a,l,u,h,c,_,p,d,f,m;for(d=o.create_hit_test_result(),h={x:t.sx,y:t.sy},f=9999,n={},i=s=0,_=this.sxs.length;0<=_?s<_:s>_;i=0<=_?++s:--s){for(m=Math.max(2,this.visuals.line.cache_select("line_width",i)/2),c=null,r=a=0,p=this.sxs[i].length-1;0<=p?ap;r=0<=p?++a:--a)v=[{x:this.sxs[i][r],y:this.sys[i][r]},{x:this.sxs[i][r+1],y:this.sys[i][r+1]}],l=v[0],u=v[1],e=o.dist_to_segment(h,l,u),el;n=0<=l?++r:--r){for(a=[],i=s=0,u=d[n].length-1;0<=u?su;i=0<=u?++s:--s)d[n][i]<=p&&p<=d[n][i+1]&&a.push(i);a.length>0&&(e[n]=a)}return h["1d"].indices=function(){var t,i,r,o;for(r=Object.keys(e),o=[],i=0,t=r.length;i1?(c[o]=s,h[o]=s/u):(c[o]=s*u,h[o]=s),a={sx:_,sy:p,sw:c,sh:h},this._render(t,l,a)},e.prototype._bounds=function(t){return this.max_wh2_bounds(t)},e}(r.XYGlyphView);var s=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.XYGlyph);n.Oval=s,s.prototype.default_view=n.OvalView,s.prototype.type="Oval",s.mixins(["line","fill"]),s.define({angle:[o.AngleSpec,0],width:[o.DistanceSpec],height:[o.DistanceSpec]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(128);n.PatchView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype._render=function(t,e,n){var i,r,o,s,a,l=n.sx,u=n.sy;if(this.visuals.fill.doit){for(this.visuals.fill.set_value(t),r=0,s=e.length;rc;i=0<=c?++r:--r)for(n[i]=[],u=s.copy(t[i]);u.length>0;)o=s.findLastIndex(u,function(t){return a.isStrictNaN(t)}),o>=0?h=u.splice(o):(h=u,u=[]),e=function(){var t,e,n;for(n=[],t=0,e=h.length;ta;t=0<=a?++n:--n)for(e=i=0,l=h[t].length;0<=l?il;e=0<=l?++i:--i)u=h[t][e],c=_[t][e],0!==u.length&&o.push({minX:s.min(u),minY:s.min(c),maxX:s.max(u),maxY:s.max(c),i:t});return new r.RBush(o)},e.prototype._mask_data=function(t){var e,n,i,r,o,s,a,u;return o=this.renderer.plot_view.frame.x_ranges["default"],h=[o.min,o.max],i=h[0],r=h[1],u=this.renderer.plot_view.frame.y_ranges["default"],c=[u.min,u.max],s=c[0],a=c[1],e=l.validate_bbox_coords([i,r],[s,a]),n=this.index.indices(e),n.sort(function(t,e){return t-e});var h,c},e.prototype._render=function(t,e,n){var i,r,o,s,a,l,u,h,c,_,p,d=n.sxs,f=n.sys;for(this.renderer.sxss=this._build_discontinuous_object(d),this.renderer.syss=this._build_discontinuous_object(f),c=[],o=0,a=e.length;ou;r=0<=u?++s:--s)0!==r?isNaN(_[r]+p[r])?(t.closePath(),t.fill(),t.beginPath()):t.lineTo(_[r],p[r]):(t.beginPath(),t.moveTo(_[r],p[r]));t.closePath(),t.fill()}if(this.visuals.line.doit){for(this.visuals.line.set_vectorize(t,i),r=l=0,h=_.length;0<=h?lh;r=0<=h?++l:--l)0!==r?isNaN(_[r]+p[r])?(t.closePath(),t.stroke(),t.beginPath()):t.lineTo(_[r],p[r]):(t.beginPath(),t.moveTo(_[r],p[r]));t.closePath(),c.push(t.stroke())}else c.push(void 0)}return c;var m},e.prototype._hit_point=function(t){var e,n,i,r,o,s,a,u,h,c,_,p,d,f,m,v;for(_=t.sx,d=t.sy,m=this.renderer.xscale.invert(_),v=this.renderer.yscale.invert(d),e=this.index.indices({minX:m,minY:v,maxX:m,maxY:v}),n=[],i=s=0,u=e.length;0<=u?su;i=0<=u?++s:--s)for(r=e[i],p=this.renderer.sxss[r],f=this.renderer.syss[r],o=a=0,h=p.length;0<=h?ah;o=0<=h?++a:--a)l.point_in_poly(_,d,p[o],f[o])&&n.push(r);return c=l.create_hit_test_result(),c["1d"].indices=n,c},e.prototype._get_snap_coord=function(t){var e,n,i,r;for(r=0,e=0,n=t.length;eo;i=0<=o?++r:--r)if(l.point_in_poly(e,n,s[i],a[i]))return this._get_snap_coord(s[i]);return null},e.prototype.scy=function(t,e,n){var i,r,o,s,a;if(1===this.renderer.syss[t].length)return this._get_snap_coord(this.sys[t]);for(s=this.renderer.sxss[t],a=this.renderer.syss[t],i=r=0,o=s.length;0<=o?ro;i=0<=o?++r:--r)if(l.point_in_poly(e,n,s[i],a[i]))return this._get_snap_coord(a[i])},e.prototype.draw_legend_for_index=function(t,e,n,i,r,o){return this._generic_area_legend(t,e,n,i,r,o)},e}(o.GlyphView);var u=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(o.Glyph);n.Patches=u,u.prototype.default_view=n.PatchesView,u.prototype.type="Patches",u.coords([["xs","ys"]]),u.mixins(["line","fill"])},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(105);n.QuadView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.get_anchor_point=function(t,e,n){var i,r,o,s;switch(r=Math.min(this.sleft[e],this.sright[e]),o=Math.max(this.sright[e],this.sleft[e]),s=Math.min(this.stop[e],this.sbottom[e]),i=Math.max(this.sbottom[e],this.stop[e]),t){case"top_left":return{x:r,y:s};case"top_center":return{x:(r+o)/2,y:s};case"top_right":return{x:o,y:s};case"center_right":return{x:o,y:(s+i)/2};case"bottom_right":return{x:o,y:i};case"bottom_center":return{x:(r+o)/2,y:i};case"bottom_left":return{x:r,y:i};case"center_left":return{x:r,y:(s+i)/2};case"center":return{x:(r+o)/2,y:(s+i)/2}}},e.prototype.scx=function(t){return(this.sleft[t]+this.sright[t])/2},e.prototype.scy=function(t){return(this.stop[t]+this.sbottom[t])/2},e.prototype._index_data=function(){return this._index_box(this._right.length)},e.prototype._lrtb=function(t){var e,n,i,r;return n=this._left[t],i=this._right[t],r=this._top[t],e=this._bottom[t],[n,i,r,e]},e}(r.BoxView);var o=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.Box);n.Quad=o,o.prototype.default_view=n.QuadView,o.prototype.type="Quad",o.coords([["right","bottom"],["left","top"]])},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i,r=t(364),o=t(36),s=t(108);i=function(t,e,n){var i,r;return e===(t+n)/2?[t,n]:(r=(t-e)/(t-2*e+n),i=t*Math.pow(1-r,2)+2*e*(1-r)*r+n*Math.pow(r,2),[Math.min(t,n,i),Math.max(t,n,i)])},n.QuadraticView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return r.__extends(e,t),e.prototype._index_data=function(){var t,e,n,r,s,a,l,u;for(n=[],t=e=0,r=this._x0.length;0<=r?er;t=0<=r?++e:--e)isNaN(this._x0[t]+this._x1[t]+this._y0[t]+this._y1[t]+this._cx[t]+this._cy[t])||(h=i(this._x0[t],this._cx[t],this._x1[t]),s=h[0],a=h[1],c=i(this._y0[t],this._cy[t],this._y1[t]),l=c[0],u=c[1],n.push({minX:s,minY:l,maxX:a,maxY:u,i:t}));return new o.RBush(n);var h,c},e.prototype._render=function(t,e,n){var 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r}(),_=n.v_compute(l),p=n.v_compute(u),f=this.sdist(n,l,e,"edge",this.model.dilate),0===i){for(d=_,o=s=0,h=_.length;0<=h?sh;o=0<=h?++s:--s)if(_[o]!==p[o]){d=_[o]c;o=0<=c?++a:--a)if(_[o]!==p[o]){d=_[o]e;i=0<=e?++t:--t)r.push(a[i]+n[i]);return r}(),r=s.v_invert(a),o=s.v_invert(l),function(){var t,e,n;for(n=[],i=t=0,e=r.length;0<=e?te;i=0<=e?++t:--t)n.push(Math.abs(o[i]-r[i]));return n}()},e.prototype.draw_legend_for_index=function(t,e,n,i,r,o){return this._generic_area_legend(t,e,n,i,r,o)},e.prototype._bounds=function(t){return this.max_wh2_bounds(t)},e}(r.XYGlyphView);var l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.XYGlyph);n.Rect=l,l.prototype.default_view=n.RectView,l.prototype.type="Rect",l.mixins(["line","fill"]),l.define({angle:[s.AngleSpec,0],width:[s.DistanceSpec],height:[s.DistanceSpec],dilate:[s.Bool,!1]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(9),o=t(36),s=t(108);n.SegmentView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype._index_data=function(){var t,e,n,i;for(n=[],t=e=0,i=this._x0.length;0<=i?ei;t=0<=i?++e:--e)isNaN(this._x0[t]+this._x1[t]+this._y0[t]+this._y1[t])||n.push({minX:Math.min(this._x0[t],this._x1[t]),minY:Math.min(this._y0[t],this._y1[t]),maxX:Math.max(this._x0[t],this._x1[t]),maxY:Math.max(this._y0[t],this._y1[t]),i:t});return new o.RBush(n)},e.prototype._render=function(t,e,n){var i,r,o,s,a=n.sx0,l=n.sy0,u=n.sx1,h=n.sy1;if(this.visuals.line.doit){for(s=[],r=0,o=e.length;rs;r=1<=s?++o:--o){switch(this.model.mode){case"before":d=[_[r-1],p[r]],a=d[0],h=d[1],f=[_[r],p[r]],l=f[0],c=f[1];break;case"after":m=[_[r],p[r-1]],a=m[0],h=m[1],v=[_[r],p[r]],l=v[0],c=v[1];break;case"center":u=(_[r-1]+_[r])/2,g=[u,p[r-1]],a=g[0],h=g[1],y=[u,p[r]],l=y[0],c=y[1]}t.lineTo(a,h),t.lineTo(l,c)}return t.lineTo(_[i-1],p[i-1]),t.stroke();var d,f,m,v,g,y}},e.prototype.draw_legend_for_index=function(t,e,n,i,r,o){return this._generic_line_legend(t,e,n,i,r,o)},e}(r.XYGlyphView);var s=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.XYGlyph);n.Step=s,s.prototype.default_view=n.StepView,s.prototype.type="Step",s.mixins(["line"]),s.define({mode:[o.StepMode,"before"]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(128),o=t(15),s=t(40);n.TextView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype._render=function(t,e,n){var i,r,o,a,l,u,h,c,_,p,d,f,m,v,g,y=n.sx,b=n.sy,x=n._x_offset,w=n._y_offset,k=n._angle,M=n._text;for(m=[],u=0,c=e.length;un;t=0<=n?++e:--e)this.sleft.push(this.sx[t]-this.sw[t]/2),this.sright.push(this.sx[t]+this.sw[t]/2);return null},e}(r.BoxView);var s=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.Box);n.VBar=s,s.prototype.default_view=n.VBarView,s.prototype.type="VBar",s.coords([["x","bottom"]]),s.define({width:[o.DistanceSpec],top:[o.NumberSpec]}),s.override({bottom:0})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(128),o=t(9),s=t(15),a=t(29);n.WedgeView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype._map_data=function(){return"data"===this.model.properties.radius.units?this.sradius=this.sdist(this.renderer.xscale,this._x,this._radius):this.sradius=this._radius},e.prototype._render=function(t,e,n){var i,r,o,s,a,l=n.sx,u=n.sy,h=n.sradius,c=n._start_angle,_=n._end_angle;for(i=this.model.properties.direction.value(),a=[],o=0,s=e.length;oi;t=0<=i?++e:--e)o=this._x[t],s=this._y[t],!isNaN(o+s)&&isFinite(o+s)&&n.push({minX:o,minY:s,maxX:o,maxY:s,i:t});return new r.RBush(n)},e}(o.GlyphView);var s=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(o.Glyph);n.XYGlyph=s,s.prototype.type="XYGlyph",s.prototype.default_view=n.XYGlyphView,s.coords([["x","y"]])},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(50),o=t(22),s=t(9);n.GraphHitTestPolicy=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.do_selection=function(t,e,n,i){return!1},e.prototype.do_inspection=function(t,e,n,i){return!1},e}(r.Model);var a=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype._do=function(t,e,n,i){var r,o;return o=e.node_view,r=o.glyph.hit_test(t),null!==r&&(this._node_selector.update(r,n,i),!this._node_selector.indices.is_empty())},e.prototype.do_selection=function(t,e,n,i){var r;return this._node_selector=e.node_view.model.data_source.selection_manager.selector,r=this._do(t,e,n,i),e.node_view.model.data_source.selected=this._node_selector.indices,e.node_view.model.data_source.select.emit(),r},e.prototype.do_inspection=function(t,e,n,i){var r;return this._node_selector=e.model.get_selection_manager().get_or_create_inspector(e.node_view.model),r=this._do(t,e,n,i),e.node_view.model.data_source.setv({inspected:this._node_selector.indices},{silent:!0}),e.node_view.model.data_source.inspect.emit([e.node_view,{geometry:t}]),r},e}(n.GraphHitTestPolicy);n.NodesOnly=a,a.prototype.type="NodesOnly";var l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype._do=function(t,e,n,i){var r,a,l,u,h,c,_,p,d,f,m,v;if(g=[e.node_view,e.edge_view],m=g[0],l=g[1],u=m.glyph.hit_test(t),null===u)return!1;for(this._node_selector.update(u,n,i),f=function(){var t,e,n,i;for(n=u["1d"].indices,i=[],t=0,e=n.length;tv;h=0<=v?++c:--c)(o.contains(f,a.data.start[h])||o.contains(f,a.data.end[h]))&&r.push(h);for(d=s.create_hit_test_result(),_=0,p=r.length;_a;r=0<=a?++s:--s)o=null!=this.graph_layout[u[r]]&&null!=this.graph_layout[n[r]],i&&o?(h.push(t.data.xs[r]),c.push(t.data.ys[r])):(o?(p=[this.graph_layout[u[r]],this.graph_layout[n[r]]],l=p[0],e=p[1]):(d=[[NaN,NaN],[NaN,NaN]],l=d[0],e=d[1]),h.push([l[0],e[0]]),c.push([l[1],e[1]]));return[h,c];var _,p,d},e}(r.LayoutProvider);n.StaticLayoutProvider=s,s.prototype.type="StaticLayoutProvider",s.define({graph_layout:[o.Any,{}]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(163),o=t(165),s=t(15),a=t(42);n.GridView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e,n){return t.prototype.initialize.call(this,e,n),this._x_range_name=this.model.x_range_name,this._y_range_name=this.model.y_range_name},e.prototype.render=function(){var t;if(this.model.visible!==!1)return t=this.plot_view.canvas_view.ctx,t.save(),this._draw_regions(t),this._draw_minor_grids(t),this._draw_grids(t),t.restore()},e.prototype.connect_signals=function(){return t.prototype.connect_signals.call(this),this.connect(this.model.change,function(){return this.request_render()})},e.prototype._draw_regions=function(t){var e,n,i,r,o,s,a,l,u;if(this.visuals.band_fill.doit){for(h=this.model.grid_coords("major",!1),l=h[0],u=h[1],this.visuals.band_fill.set_value(t),e=n=0,i=l.length-1;0<=i?ni;e=0<=i?++n:--n)e%2===1&&(c=this.plot_view.map_to_screen(l[e],u[e],this._x_range_name,this._y_range_name),r=c[0],s=c[1],_=this.plot_view.map_to_screen(l[e+1],u[e+1],this._x_range_name,this._y_range_name),o=_[0],a=_[1],t.fillRect(r[0],s[0],o[1]-r[0],a[1]-s[0]),t.fill());var h,c,_}},e.prototype._draw_grids=function(t){var e,n;if(this.visuals.grid_line.doit){return i=this.model.grid_coords("major"),e=i[0],n=i[1],this._draw_grid_helper(t,this.visuals.grid_line,e,n);var i}},e.prototype._draw_minor_grids=function(t){var e,n;if(this.visuals.minor_grid_line.doit){return i=this.model.grid_coords("minor"),e=i[0],n=i[1],this._draw_grid_helper(t,this.visuals.minor_grid_line,e,n);var i}},e.prototype._draw_grid_helper=function(t,e,n,i){var r,o,s,a,l,u,h;for(e.set_value(t),r=o=0,a=n.length;0<=a?oa;r=0<=a?++o:--o){for(c=this.plot_view.map_to_screen(n[r],i[r],this._x_range_name,this._y_range_name),u=c[0],h=c[1],t.beginPath(),t.moveTo(Math.round(u[0]),Math.round(h[0])),r=s=1,l=u.length;1<=l?sl;r=1<=l?++s:--s)t.lineTo(Math.round(u[r]),Math.round(h[r]));t.stroke()}var c},e}(o.RendererView);var l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.ranges=function(){var t,e,n,i;return e=this.dimension,n=(e+1)%2,t=this.plot.plot_canvas.frame,i=[t.x_ranges[this.x_range_name],t.y_ranges[this.y_range_name]],[i[e],i[n]]},e.prototype.computed_bounds=function(){var t,e,n,i,r,o;return s=this.ranges(),n=s[0],t=s[1],o=this.bounds,i=[n.min,n.max],a.isArray(o)?(r=Math.min(o[0],o[1]),e=Math.max(o[0],o[1]),ri[1]&&(r=null),e>i[1]?e=i[1]:eb;c=0<=b?++p:--p)if(k[c]!==v&&k[c]!==m||!e){for(a=[],l=[],n=2,g=d=0,x=n;0<=x?dx;g=0<=x?++d:--d)f=r+(i-r)/(n-1)*g,a.push(k[c]),l.push(f);o[h].push(a),o[_].push(l)}return o;var S,T},e}(r.GuideRenderer);n.Grid=l,l.prototype.default_view=n.GridView,l.prototype.type="Grid",l.mixins(["line:grid_","line:minor_grid_","fill:band_"]),l.define({bounds:[s.Any,"auto"],dimension:[s.Number,0],ticker:[s.Instance],x_range_name:[s.String,"default"],y_range_name:[s.String,"default"]}),l.override({level:"underlay",band_fill_color:null,band_fill_alpha:0,grid_line_color:"#e5e5e5",minor_grid_line_color:null})},function(t,e,n){"use 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i.__extends(e,t),e.prototype.connect_signals=function(){var e=this;return t.prototype.connect_signals.call(this),this.connect(this.model.properties.children.change,function(){return e.rebuild_child_views()})},e.prototype.get_height=function(){var t,e,n;return e=this.model.get_layoutable_children(),t=e.map(function(t){return t._height.value}),n=this.model._horizontal?a.max(t):a.sum(t)},e.prototype.get_width=function(){var t,e,n;return e=this.model.get_layoutable_children(),t=e.map(function(t){return t._width.value}),n=this.model._horizontal?a.sum(t):a.max(t)},e}(u.LayoutDOMView);n.BoxView=h,h.prototype.className="bk-grid";var c=function(t){function e(e,n){var i=t.call(this,e,n)||this;return i._child_equal_size_width=new o.Variable(i.toString()+".child_equal_size_width"),i._child_equal_size_height=new o.Variable(i.toString()+".child_equal_size_height"),i._box_equal_size_top=new o.Variable(i.toString()+".box_equal_size_top"),i._box_equal_size_bottom=new o.Variable(i.toString()+".box_equal_size_bottom"),i._box_equal_size_left=new o.Variable(i.toString()+".box_equal_size_left"),i._box_equal_size_right=new o.Variable(i.toString()+".box_equal_size_right"),i._box_cell_align_top=new o.Variable(i.toString()+".box_cell_align_top"),i._box_cell_align_bottom=new o.Variable(i.toString()+".box_cell_align_bottom"),i._box_cell_align_left=new o.Variable(i.toString()+".box_cell_align_left"),i._box_cell_align_right=new o.Variable(i.toString()+".box_cell_align_right"),i}return i.__extends(e,t),e.prototype.get_layoutable_children=function(){return this.children},e.prototype.get_constrained_variables=function(){return l.extend({},t.prototype.get_constrained_variables.call(this),{box_equal_size_top:this._box_equal_size_top,box_equal_size_bottom:this._box_equal_size_bottom,box_equal_size_left:this._box_equal_size_left,box_equal_size_right:this._box_equal_size_right,box_cell_align_top:this._box_cell_align_top,box_cell_align_bottom:this._box_cell_align_bottom,box_cell_align_left:this._box_cell_align_left,box_cell_align_right:this._box_cell_align_right})},e.prototype.get_constraints=function(){var e,n,i,r,s,a,l,u,h,c,_,p,d;if(r=t.prototype.get_constraints.call(this),e=function(){for(var t=[],e=0;ep;s=1<=p?++l:--l)c=this._info(i[s].get_constrained_variables()),u.span.size&&e(o.EQ(u.span.start,u.span.size,[-1,c.span.start])),e(o.WEAK_EQ(u.whitespace.after,c.whitespace.before,0-this.spacing)),e(o.GE(u.whitespace.after,c.whitespace.before,0-this.spacing)),u=c;return this._horizontal?null!=d.width&&e(o.EQ(u.span.start,u.span.size,[-1,this._width])):null!=d.height&&e(o.EQ(u.span.start,u.span.size,[-1,this._height])),r=r.concat(this._align_outer_edges_constraints(!0),this._align_outer_edges_constraints(!1),this._align_inner_cell_edges_constraints(),this._box_equal_size_bounds(!0),this._box_equal_size_bounds(!1),this._box_cell_align_bounds(!0),this._box_cell_align_bounds(!1),this._box_whitespace(!0),this._box_whitespace(!1))},e.prototype._child_rect=function(t){return{x:t.origin_x,y:t.origin_y,width:t.width,height:t.height}},e.prototype._span=function(t){return this._horizontal?{start:t.x,size:t.width}:{start:t.y,size:t.height}},e.prototype._info=function(t){var e,n;return n=this._horizontal?{before:t.whitespace_left,after:t.whitespace_right}:{before:t.whitespace_top,after:t.whitespace_bottom},e=this._span(this._child_rect(t)),{span:e,whitespace:n}},e.prototype._flatten_cell_edge_variables=function(t){var n,i,r,o,s,a,l,u,h,c,_,p,d,f,m,v,g,y,b,x,w;for(x=t?e._top_bottom_inner_cell_edge_variables:e._left_right_inner_cell_edge_variables,n=t!==this._horizontal,l=this.get_layoutable_children(),r=l.length,h={},o=0,c=0,f=l.length;c1?y[1]:"",u=this._horizontal?"row":"col",g=d+" "+u+"-"+r+"-"+o+"-"+b):g=p,g in h?h[g]=h[g].concat(w):h[g]=w;o+=1}return h},e.prototype._align_inner_cell_edges_constraints=function(){var t,e,n,i,s,a,l,u;if(t=[],null!=this.document&&r.call(this.document.roots(),this)>=0){e=this._flatten_cell_edge_variables(this._horizontal);for(s in e)if(u=e[s],u.length>1)for(a=u[0],n=i=1,l=u.length;1<=l?il;n=1<=l?++i:--i)t.push(o.EQ(u[n],[-1,a]))}return t},e.prototype._find_edge_leaves=function(t){var n,i,r,o,s,a,l,u;if(r=this.get_layoutable_children(),a=[[],[]],r.length>0)if(this._horizontal===t)u=r[0],o=r[r.length-1],u instanceof e?a[0]=a[0].concat(u._find_edge_leaves(t)[0]):a[0].push(u),o instanceof e?a[1]=a[1].concat(o._find_edge_leaves(t)[1]):a[1].push(o);else for(s=0,l=r.length;s1){for(n=t[0],i=r=1,s=t.length;1<=s?rs;i=1<=s?++r:--r)e=t[i],a.push(o.EQ([-1,n],e));return null}},e(l),e(i),a;var c},e.prototype._box_insets_from_child_insets=function(t,e,n,i){var r,s,a,l,u,h,c,_;return p=this._find_edge_leaves(t),c=p[0],s=p[1],t?(_=e+"_left",a=e+"_right",u=this[n+"_left"],l=this[n+"_right"]):(_=e+"_top",a=e+"_bottom",u=this[n+"_top"],l=this[n+"_bottom"]),h=[],r=function(t,e,n){var r,s,a,l,u;for(r=[],s=0,l=e.length;s0;)n=i.shift(),n instanceof e&&i.push.apply(i,n.get_layoutable_children()),t[n.toString()]=n.layout_bbox;return console.table(t)},e.prototype.get_all_constraints=function(){var t,e,n,i,r;for(e=this.get_constraints(),r=this.get_layoutable_children(),n=0,i=r.length;n0?this.model._width.value-20+"px":"100%",this.el.style.width=t)},e.prototype.get_height=function(){var t,e,n,i,o,s,a,l;n=0,a=this.child_views;for(i in a)r.call(a,i)&&(t=a[i],e=t.el,l=getComputedStyle(e),s=parseInt(l.marginTop)||0,o=parseInt(l.marginBottom)||0,n+=e.offsetHeight+s+o);return n+20},e.prototype.get_width=function(){var t,e,n,i,o;if(null!=this.model.width)return this.model.width;o=this.el.scrollWidth+20,i=this.child_views;for(n in i)r.call(i,n)&&(t=i[n],e=t.el.scrollWidth,e>o&&(o=e));return o},e}(l.LayoutDOMView);n.WidgetBoxView=u,u.prototype.className="bk-widget-box";var h=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){if(t.prototype.initialize.call(this,e),"fixed"===this.sizing_mode&&null===this.width&&(this.width=300,o.logger.info("WidgetBox mode is fixed, but no width specified. Using default of 300.")),"scale_height"===this.sizing_mode)return o.logger.warn("sizing_mode `scale_height` is not experimental for WidgetBox. Please report your results to the bokeh dev team so we can improve.")},e.prototype.get_constrained_variables=function(){var e;return e=a.extend({},t.prototype.get_constrained_variables.call(this),{on_edge_align_top:this._top,on_edge_align_bottom:this._height_minus_bottom,on_edge_align_left:this._left,on_edge_align_right:this._width_minus_right,box_cell_align_top:this._top,box_cell_align_bottom:this._height_minus_bottom,box_cell_align_left:this._left,box_cell_align_right:this._width_minus_right,box_equal_size_top:this._top,box_equal_size_bottom:this._height_minus_bottom}),"fixed"!==this.sizing_mode&&(e.box_equal_size_left=this._left,e.box_equal_size_right=this._width_minus_right),e},e.prototype.get_layoutable_children=function(){return this.children},e}(l.LayoutDOM);n.WidgetBox=h,h.prototype.type="WidgetBox",h.prototype.default_view=u,h.define({children:[s.Array,[]]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var 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i.__extends(e,t),e}(u);n.GMapOptions=h,h.prototype.type="GMapOptions",h.define({map_type:[a.String,"roadmap"],scale_control:[a.Bool,!1],styles:[a.String]}),n.GMapPlotView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(s.PlotView);var c=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){if(t.prototype.initialize.call(this,e),!this.api_key)return r.logger.error("api_key is required. See https://developers.google.com/maps/documentation/javascript/get-api-key for more information on how to obtain your own.")},e.prototype._init_plot_canvas=function(){return new o.GMapPlotCanvas({plot:this})},e}(s.Plot);n.GMapPlot=c,c.prototype.type="GMapPlot",c.prototype.default_view=n.GMapPlotView,c.define({map_options:[a.Instance],api_key:[a.String]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i,r,o=t(364),s=function(t,e){if(!(t instanceof e))throw new Error("Bound instance method accessed before binding")},a=t(31),l=t(154),u=t(20);i=new u.Signal(this,"gmaps_ready"),r=function(t){var e;return window._bokeh_gmaps_callback=function(){return i.emit()},e=document.createElement("script"),e.type="text/javascript",e.src="https://maps.googleapis.com/maps/api/js?key="+t+"&callback=_bokeh_gmaps_callback",document.body.appendChild(e)},n.GMapPlotCanvasView=function(t){function e(){var e=t.apply(this,arguments)||this;return e._get_latlon_bounds=e._get_latlon_bounds.bind(e),e._get_projected_bounds=e._get_projected_bounds.bind(e),e._set_bokeh_ranges=e._set_bokeh_ranges.bind(e),e}return o.__extends(e,t),e.prototype.initialize=function(e){var n,o,s=this;return this.pause(),t.prototype.initialize.call(this,e),this._tiles_loaded=!1,this.zoom_count=0,n=this.model.plot.map_options,this.initial_zoom=n.zoom,this.initial_lat=n.lat,this.initial_lng=n.lng,this.canvas_view.map_el.style.position="absolute",null==(null!=(o=window.google)?o.maps:void 0)&&(null==window._bokeh_gmaps_callback&&r(this.model.plot.api_key),i.connect(function(){return s.request_render()})),this.unpause()},e.prototype.update_range=function(e){var n,i,r,o,s,a,l,u;if(null==e)n=this.model.plot.map_options,this.map.setCenter({lat:this.initial_lat,lng:this.initial_lng}),this.map.setOptions({zoom:this.initial_zoom}),t.prototype.update_range.call(this,null);else if(null!=e.sdx||null!=e.sdy)this.map.panBy(e.sdx,e.sdy),t.prototype.update_range.call(this,e);else if(null!=e.factor){if(10!==this.zoom_count)return void(this.zoom_count+=1);this.zoom_count=0,this.pause(),t.prototype.update_range.call(this,e),u=e.factor<0?-1:1,r=this.map.getZoom(),i=r+u,i>=2&&(this.map.setZoom(i),h=this._get_projected_bounds(),s=h[0],o=h[1],l=h[2],a=h[3],o-s<0&&this.map.setZoom(r)),this.unpause()}return this._set_bokeh_ranges();var h},e.prototype._build_map=function(){var t,e,n,i=this;return e=window.google.maps,this.map_types={satellite:e.MapTypeId.SATELLITE,terrain:e.MapTypeId.TERRAIN,roadmap:e.MapTypeId.ROADMAP,hybrid:e.MapTypeId.HYBRID},n=this.model.plot.map_options,t={center:new e.LatLng(n.lat,n.lng),zoom:n.zoom,disableDefaultUI:!0,mapTypeId:this.map_types[n.map_type],scaleControl:n.scale_control},null!=n.styles&&(t.styles=JSON.parse(n.styles)),this.map=new e.Map(this.canvas_view.map_el,t),e.event.addListener(this.map,"idle",function(){return i._set_bokeh_ranges()}),e.event.addListener(this.map,"bounds_changed",function(){return i._set_bokeh_ranges()}),e.event.addListenerOnce(this.map,"tilesloaded",function(){return i._render_finished()}),this.connect(this.model.plot.properties.map_options.change,function(){return i._update_options()}),this.connect(this.model.plot.map_options.properties.styles.change,function(){return i._update_styles()}),this.connect(this.model.plot.map_options.properties.lat.change,function(){return i._update_center("lat")}),this.connect(this.model.plot.map_options.properties.lng.change,function(){return i._update_center("lng")}),this.connect(this.model.plot.map_options.properties.zoom.change,function(){return i._update_zoom()}),this.connect(this.model.plot.map_options.properties.map_type.change,function(){return i._update_map_type()}),this.connect(this.model.plot.map_options.properties.scale_control.change,function(){return i._update_scale_control()})},e.prototype._render_finished=function(){return this._tiles_loaded=!0,this.notify_finished()},e.prototype.has_finished=function(){return t.prototype.has_finished.call(this)&&this._tiles_loaded===!0},e.prototype._get_latlon_bounds=function(){var t,n,i,r,o,a,l;return s(this,e),n=this.map.getBounds(),i=n.getNorthEast(),t=n.getSouthWest(),o=t.lng(),r=i.lng(),l=t.lat(),a=i.lat(),[o,r,l,a]},e.prototype._get_projected_bounds=function(){var t,n,i,r,o,l,u,h;return s(this,e),c=this._get_latlon_bounds(),l=c[0],o=c[1],h=c[2],u=c[3],_=a.proj4(a.mercator,[l,h]),n=_[0],r=_[1],p=a.proj4(a.mercator,[o,u]),t=p[0],i=p[1],[n,t,r,i];var c,_,p},e.prototype._set_bokeh_ranges=function(){var t,n,i,r;return s(this,e),o=this._get_projected_bounds(),n=o[0],t=o[1],r=o[2],i=o[3],this.frame.x_range.setv({start:n,end:t}),this.frame.y_range.setv({start:r,end:i});var o},e.prototype._update_center=function(t){var e;return e=this.map.getCenter().toJSON(),e[t]=this.model.plot.map_options[t],this.map.setCenter(e),this._set_bokeh_ranges()},e.prototype._update_map_type=function(){var t;return t=window.google.maps,this.map.setOptions({mapTypeId:this.map_types[this.model.plot.map_options.map_type]})},e.prototype._update_scale_control=function(){var t;return t=window.google.maps,this.map.setOptions({scaleControl:this.model.plot.map_options.scale_control})},e.prototype._update_options=function(){return this._update_styles(),this._update_center("lat"),this._update_center("lng"),this._update_zoom(),this._update_map_type()},e.prototype._update_styles=function(){return this.map.setOptions({styles:JSON.parse(this.model.plot.map_options.styles)})},e.prototype._update_zoom=function(){return this.map.setOptions({zoom:this.model.plot.map_options.zoom}),this._set_bokeh_ranges()},e.prototype._map_hook=function(t,e){var n,i,r,o,s;if(i=e[0],o=e[1],s=e[2],n=e[3],this.canvas_view.map_el.style.top=o+"px",this.canvas_view.map_el.style.left=i+"px",this.canvas_view.map_el.style.width=s+"px",this.canvas_view.map_el.style.height=n+"px",null==this.map&&null!=(null!=(r=window.google)?r.maps:void 0))return this._build_map()},e.prototype._paint_empty=function(t,e){var n,i,r,o,s,a;return s=this.canvas._width.value,o=this.canvas._height.value,r=e[0],a=e[1],i=e[2],n=e[3],t.clearRect(0,0,s,o),t.beginPath(),t.moveTo(0,0),t.lineTo(0,o),t.lineTo(s,o),t.lineTo(s,0),t.lineTo(0,0),t.moveTo(r,a),t.lineTo(r+i,a),t.lineTo(r+i,a+n),t.lineTo(r,a+n),t.lineTo(r,a),t.closePath(),t.fillStyle=this.model.plot.border_fill_color,t.fill()},e}(l.PlotCanvasView);var h=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return o.__extends(e,t),e.prototype.initialize=function(e,n){return this.use_map=!0,t.prototype.initialize.call(this,e,n)},e}(l.PlotCanvas);n.GMapPlotCanvas=h,h.prototype.type="GMapPlotCanvas",h.prototype.default_view=n.GMapPlotCanvasView},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(150);n.MapOptions=i.MapOptions;var r=t(150);n.GMapOptions=r.GMapOptions;var o=t(150);n.GMapPlot=o.GMapPlot;var s=t(151);n.GMapPlotCanvas=s.GMapPlotCanvas;var a=t(153);n.Plot=a.Plot;var l=t(154);n.PlotCanvas=l.PlotCanvas},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(13),o=t(14),s=t(15),a=t(22),l=t(30),u=t(42),h=t(139),c=t(65),_=t(168),p=t(233),d=t(66),f=t(154),m=t(173),v=t(161),g=t(3),y=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.connect_signals=function(){var e;return t.prototype.connect_signals.call(this),e="Title object cannot be replaced. Try changing properties on title to update it after initialization.",this.connect(this.model.properties.title.change,function(){return o.logger.warn(e)})},e.prototype.get_height=function(){return this.model._width.value/this.model.get_aspect_ratio()},e.prototype.get_width=function(){return this.model._height.value*this.model.get_aspect_ratio()},e.prototype.save=function(t){return this.plot_canvas_view.save(t)},e}(h.LayoutDOMView);n.PlotView=y,y.prototype.className="bk-plot-layout",y.getters({plot_canvas_view:function(){return this.child_views[this.model._plot_canvas.id]}});var b=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){var n,i,r,o,s,a,h,c,_,p,d,f,m,v,g,y;for(t.prototype.initialize.call(this,e),_=l.values(this.extra_x_ranges).concat(this.x_range),n=0,s=_.length;n=0},e.prototype.can_redo=function(){return this.state.index=0?a.push(e.selected=t[s.id]):a.push(void 0)):a.push(e.selection_manager.clear()));return a},e.prototype.reset_selection=function(){return this.update_selection(null)},e.prototype._update_ranges_together=function(t){var e,n,i,r,o,s,a,l;for(l=1,e=0,i=t.length;ed.end,n||(f=this._get_weight_to_constrain_interval(d,_),f<1&&(_.start=f*_.start+(1-f)*d.start,_.end=f*_.end+(1-f)*d.end)),null!=d.bounds&&(h=d.bounds[0],u=d.bounds[1],c=Math.abs(_.end-_.start),r?(null!=h&&h>=_.end&&(i=!0,_.end=h,null==e&&null==n||(_.start=h+c)),null!=u&&u<=_.start&&(i=!0,_.start=u,null==e&&null==n||(_.end=u-c))):(null!=h&&h>=_.start&&(i=!0,_.start=h,null==e&&null==n||(_.end=h+c)),null!=u&&u<=_.end&&(i=!0,_.end=u,null==e&&null==n||(_.start=u-c))));if(!n||!i){for(p=[],s=0,l=t.length;s0&&a0&&a>i&&(u=(i-l)/(a-l)),u=Math.max(0,Math.min(1,u))),u;var h},e.prototype.update_range=function(t,e,n){var i,r,o,s,a,l,u;if(this.pause(),null==t){o=this.frame.x_ranges;for(i in o)u=o[i],u.reset();s=this.frame.y_ranges;for(i in s)u=s[i],u.reset();this.update_dataranges()}else{r=[],a=this.frame.x_ranges;for(i in a)u=a[i],r.push([u,t.xrs[i]]);l=this.frame.y_ranges;for(i in l)u=l[i],r.push([u,t.yrs[i]]);n&&this._update_ranges_together(r),this._update_ranges_individually(r,e,n)}return this.unpause()},e.prototype.reset_range=function(){return this.update_range(null)},e.prototype.build_levels=function(){var t,e,n,i,r,o,s,a,l,u,h;for(l=this.model.plot.all_renderers,a=Object.keys(this.renderer_views),s=m.build_views(this.renderer_views,l,this.view_options()),u=A.difference(a,function(){var t,e,n;for(n=[],t=0,e=l.length;t=0&&io&&_.model.document.interactive_stop(_.model.plot),_.request_render()},o)):this.model.document.interactive_stop(this.model.plot)),a=this.renderer_views;for(r in a)if(l=a[r],null==this.range_update_timestamp||l.set_data_timestamp>this.range_update_timestamp){this.update_dataranges();break}return this.model.frame._update_scales(),t=this.canvas_view.ctx,t.pixel_ratio=s=this.canvas.pixel_ratio,t.save(),t.scale(s,s),t.translate(.5,.5),e=[this.frame._left.value,this.frame._top.value,this.frame._width.value,this.frame._height.value],this._map_hook(t,e),this._paint_empty(t,e),this.prepare_webgl(s,e),t.save(),this.visuals.outline_line.doit&&(this.visuals.outline_line.set_value(t),h=e[0],c=e[1],u=e[2],n=e[3],h+u===this.canvas._width.value&&(u-=1),c+n===this.canvas._height.value&&(n-=1),t.strokeRect(h,c,u,n)),t.restore(),this._paint_levels(t,["image","underlay","glyph"],e),this.blit_webgl(s),this._paint_levels(t,["annotation"],e),this._paint_levels(t,["overlay"]),null==this.initial_range_info&&this.set_initial_range(),t.restore(),this._has_finished?void 0:(this._has_finished=!0,this.notify_finished())}},e.prototype._paint_levels=function(t,e,n){var i,r,o,s,a,l,u,h,c,_,p,d,f,m;for(t.save(),null!=n&&"canvas"===this.model.plot.output_backend&&(t.beginPath(),t.rect.apply(t,n),t.clip()),r={},_=this.model.plot.renderers,i=o=0,a=_.length;o0&&(c=function(){var t,e,n;for(n=[],t=0,e=c.length;t=0&&n.push(u);return n}()),s.logger.debug("computed "+c.length+" renderers for DataRange1d "+this.id),n=0,r=c.length;nr&&("start"===this.follow?i=_+o*r:"end"===this.follow&&(_=i-o*r)),[_,i];var p,d,f},e.prototype.update=function(t,e,n){var i,r,o,s,a,l,u,h;if(!this.have_updated_interactively){return u=this.computed_renderers(),this.plot_bounds[n]=this._compute_plot_bounds(u,t),c=this._compute_min_max(this.plot_bounds,e),a=c[0],s=c[1],_=this._compute_range(a,s),h=_[0],o=_[1],null!=this._initial_start&&("log"===this.scale_hint?this._initial_start>0&&(h=this._initial_start):h=this._initial_start),null!=this._initial_end&&("log"===this.scale_hint?this._initial_end>0&&(o=this._initial_end):o=this._initial_end),p=[this.start,this.end],r=p[0],i=p[1],h===r&&o===i||(l={},h!==r&&(l.start=h),o!==i&&(l.end=o),this.setv(l)),"auto"===this.bounds&&this.setv({bounds:[h,o]},{silent:!0}),this.change.emit();var c,_,p}},e.prototype.reset=function(){return this.have_updated_interactively=!1,this.setv({range_padding:this._initial_range_padding,range_padding_units:this._initial_range_padding_units,follow:this._initial_follow,follow_interval:this._initial_follow_interval,default_span:this._initial_default_span},{silent:!0}),this.change.emit()},e}(r.DataRange);n.DataRange1d=u,u.prototype.type="DataRange1d",u.define({start:[a.Number],end:[a.Number],range_padding:[a.Number,.1],range_padding_units:[a.PaddingUnits,"percent"],flipped:[a.Bool,!1],follow:[a.StartEnd],follow_interval:[a.Number],default_span:[a.Number,2],bounds:[a.Any],min_interval:[a.Any],max_interval:[a.Any]}),u.internal({scale_hint:[a.String,"auto"]}),u.getters({min:function(){return Math.min(this.start,this.end)},max:function(){return Math.max(this.start,this.end)}})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(159),o=t(15),s=t(22),a=t(42);n.map_one_level=function(t,e,n){void 0===n&&(n=0);var i,r,o,s,a;for(a={},r=o=0,s=t.length;othis.end}})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=[].indexOf,o=t(165),s=t(114),a=t(178),l=t(172),u=t(14),h=t(15),c=t(22),_=t(30);n.GlyphRendererView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){var n,i,o,s,l,u,h,c,p,d;if(t.prototype.initialize.call(this,e),n=this.model.glyph,s=r.call(n.mixins,"fill")>=0,l=r.call(n.mixins,"line")>=0,o=_.clone(n.attributes),delete o.id,h=function(t){var e;return e=_.clone(o),s&&_.extend(e,t.fill),l&&_.extend(e,t.line),new n.constructor(e)},this.glyph=this.build_glyph_view(n),d=this.model.selection_glyph,null==d?d=h({fill:{},line:{}}):"auto"===d&&(d=h(this.model.selection_defaults)),this.selection_glyph=this.build_glyph_view(d),p=this.model.nonselection_glyph,null==p?p=h({fill:{},line:{}}):"auto"===p&&(p=h(this.model.nonselection_defaults)),this.nonselection_glyph=this.build_glyph_view(p),u=this.model.hover_glyph,null!=u&&(this.hover_glyph=this.build_glyph_view(u)),c=this.model.muted_glyph,null!=c&&(this.muted_glyph=this.build_glyph_view(c)),i=h(this.model.decimated_defaults),this.decimated_glyph=this.build_glyph_view(i),this.xscale=this.plot_view.frame.xscales[this.model.x_range_name],this.yscale=this.plot_view.frame.yscales[this.model.y_range_name],this.set_data(!1),this.model.data_source instanceof a.RemoteDataSource)return this.model.data_source.setup()},e.prototype.build_glyph_view=function(t){return new t.default_view({model:t,renderer:this,plot_view:this.plot_view,parent:this})},e.prototype.connect_signals=function(){return t.prototype.connect_signals.call(this),this.connect(this.model.change,function(){return this.request_render()}),this.connect(this.model.glyph.change,function(){ -return this.set_data()}),this.connect(this.model.data_source.change,function(){return this.set_data()}),this.connect(this.model.data_source.streaming,function(){return this.set_data()}),this.connect(this.model.data_source.patching,function(t){return this.set_data(!0,t)}),this.connect(this.model.data_source.select,function(){return this.request_render()}),null!=this.hover_glyph&&this.connect(this.model.data_source.inspect,function(){return this.request_render()}),this.connect(this.model.properties.view.change,function(){return this.set_data()}),this.connect(this.model.view.change,function(){return this.set_data()}),this.connect(this.model.glyph.transformchange,function(){return this.set_data()})},e.prototype.have_selection_glyphs=function(){return null!=this.selection_glyph&&null!=this.nonselection_glyph},e.prototype.set_data=function(t,e){void 0===t&&(t=!0);var n,i,r,o,s,a,l;for(l=Date.now(),a=this.model.data_source,this.all_indices=this.model.view.indices,this.glyph.model.setv({x_range_name:this.model.x_range_name,y_range_name:this.model.y_range_name},{silent:!0}),this.glyph.set_data(a,this.all_indices,e),this.glyph.set_visuals(a),this.decimated_glyph.set_visuals(a),this.have_selection_glyphs()&&(this.selection_glyph.set_visuals(a),this.nonselection_glyph.set_visuals(a)),null!=this.hover_glyph&&this.hover_glyph.set_visuals(a),null!=this.muted_glyph&&this.muted_glyph.set_visuals(a),o=this.plot_model.plot.lod_factor,this.decimated=[],i=r=0,s=Math.floor(this.all_indices.length/o);0<=s?rs;i=0<=s?++r:--r)this.decimated.push(i*o);if(n=Date.now()-l,u.logger.debug(this.glyph.model.type+" GlyphRenderer ("+this.model.id+"): set_data finished in "+n+"ms"),this.set_data_timestamp=Date.now(),t)return this.request_render()},e.prototype.render=function(){var t,e,n,i,o,a,l,h,_,p,d,f,m,v,g,y,b,x,w,k,M,S,T,O,A,E,j,P,z,C,N;if(this.model.visible){if(j=Date.now(),l=this.glyph.glglyph,P=Date.now(),this.glyph.map_data(),e=Date.now()-j,z=Date.now(),p=this.glyph.mask_data(this.all_indices),p.length===this.all_indices.length&&(p=function(){T=[];for(var t=0,e=this.all_indices.length;0<=e?te;0<=e?t++:t--)T.push(t);return T}.apply(this)),n=Date.now()-z,t=this.plot_view.canvas_view.ctx,t.save(),O=this.model.data_source.selected,O=O&&0!==O.length?O["0d"].glyph?this.model.view.convert_indices_from_subset(p):O["1d"].indices.length>0?O["1d"].indices:function(){var t,e,n,i;for(n=Object.keys(O["2d"].indices),i=[],t=0,e=n.length;t0?d["1d"].indices:function(){var t,e,n,i;for(n=Object.keys(d["2d"].indices),i=[],t=0,e=n.length;t=0&&i.push(_);return i}.call(this),b=this.plot_model.plot.lod_threshold,(null!=(M=this.model.document)?M.interactive_duration():void 0)>0&&!l&&null!=b&&this.all_indices.length>b?(p=this.decimated,h=this.decimated_glyph,k=this.decimated_glyph,E=this.selection_glyph):(h=this.model.muted&&null!=this.muted_glyph?this.muted_glyph:this.glyph,k=this.nonselection_glyph,E=this.selection_glyph),null!=this.hover_glyph&&d.length&&(p=c.difference(p,d)),O.length&&this.have_selection_glyphs()){for(N=Date.now(),A={},f=0,v=O.length;f0&&(r=i))),r},e.prototype.hit_test_helper=function(t,e,n,i,r){var o,s,a,l;return!!this.visible&&(o=e.glyph.hit_test(t),null!==o&&(s=this.view.convert_selection_from_subset(o),"select"===r?(l=this.data_source.selection_manager.selector,l.update(s,n,i),this.data_source.selected=l.indices,this.data_source.select.emit()):(a=this.data_source.selection_manager.get_or_create_inspector(this),a.update(s,!0,!1,!0),this.data_source.setv({inspected:a.indices},{silent:!0}),this.data_source.inspect.emit([e,{geometry:t}])),!s.is_empty()))},e.prototype.get_selection_manager=function(){return this.data_source.selection_manager},e}(o.Renderer);n.GlyphRenderer=p,p.prototype.default_view=n.GlyphRendererView,p.prototype.type="GlyphRenderer",p.define({x_range_name:[h.String,"default"],y_range_name:[h.String,"default"],data_source:[h.Instance],view:[h.Instance,function(){return new 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t=this.url,t=t.replace("{xmin}","{XMIN}"),t=t.replace("{ymin}","{YMIN}"),t=t.replace("{xmax}","{XMAX}"),t=t.replace("{ymax}","{YMAX}"),t=t.replace("{height}","{HEIGHT}"),t=t.replace("{width}","{WIDTH}"),this.url=t},e.prototype.string_lookup_replace=function(t,e){var n,i,r;i=t;for(n in e)r=e[n],i=i.replace("{"+n+"}",r.toString());return i},e.prototype.add_image=function(t){return this.images[t.cache_key]=t},e.prototype.remove_image=function(t){return delete this.images[t.cache_key]},e.prototype.get_image_url=function(t,e,n,i,r,o){var s;return s=this.string_lookup_replace(this.url,this.extra_url_vars),s.replace("{XMIN}",t).replace("{YMIN}",e).replace("{XMAX}",n).replace("{YMAX}",i).replace("{WIDTH}",o).replace("{HEIGHT}",r)},e}(o.Model);n.ImageSource=s,s.prototype.type="ImageSource",s.define({url:[r.String,""],extra_url_vars:[r.Any,{}]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(195);n.BBoxTileSource=i.BBoxTileSource;var r=t(196);n.DynamicImageRenderer=r.DynamicImageRenderer;var o=t(198);n.ImageSource=o.ImageSource;var s=t(200);n.MercatorTileSource=s.MercatorTileSource;var a=t(201);n.QUADKEYTileSource=a.QUADKEYTileSource;var l=t(202);n.TileRenderer=l.TileRenderer;var u=t(203);n.TileSource=u.TileSource;var h=t(205);n.TMSTileSource=h.TMSTileSource;var c=t(206);n.WMTSTileSource=c.WMTSTileSource},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=[].indexOf,o=t(203),s=t(15),a=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){var n;return t.prototype.initialize.call(this,e),this._resolutions=function(){var t,e,i,r;for(r=[],n=t=e=this.min_zoom,i=this.max_zoom;e<=i?t<=i:t>=i;n=e<=i?++t:--t)r.push(this.get_resolution(n));return r}.call(this)},e.prototype._computed_initial_resolution=function(){return null!=this.initial_resolution?this.initial_resolution:2*Math.PI*6378137/this.tile_size},e.prototype.is_valid_tile=function(t,e,n){return!(!this.wrap_around&&(t<0||t>=Math.pow(2,n)))&&!(e<0||e>=Math.pow(2,n))},e.prototype.retain_children=function(t){var e,n,i,r,o,s,a;r=t.quadkey,i=r.length,n=i+3,o=this.tiles,s=[];for(e in o)a=o[e],0===a.quadkey.indexOf(r)&&a.quadkey.length>i&&a.quadkey.length<=n?s.push(a.retain=!0):s.push(void 0);return s},e.prototype.retain_neighbors=function(t){var e,n,i,o,s,a,l,u,h,c,_,p,d,f;n=4,m=t.tile_coords,c=m[0],_=m[1],p=m[2],i=function(){var t,e,i,r;for(r=[],d=t=e=c-n,i=c+n;e<=i?t<=i:t>=i;d=e<=i?++t:--t)r.push(d);return r}(),o=function(){var t,e,i,r;for(r=[],f=t=e=_-n,i=_+n;e<=i?t<=i:t>=i;f=e<=i?++t:--t)r.push(f);return r}(),s=this.tiles,u=[];for(e in s)h=s[e],h.tile_coords[2]===p&&(a=h.tile_coords[0],r.call(i,a)>=0)&&(l=h.tile_coords[1],r.call(o,l)>=0)?u.push(h.retain=!0):u.push(void 0);return u;var m},e.prototype.retain_parents=function(t){var 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i,r,o,s,a,l,u,h;for(u=(t[2]-t[0])/n,h=(t[3]-t[1])/e,l=Math.max(u,h),i=0,a=this._resolutions,r=0,o=a.length;rs){if(0===i)return 0;if(i>0)return i-1}i+=1}},e.prototype.get_closest_level_by_extent=function(t,e,n){var i,r,o,s,a;return s=(t[2]-t[0])/n,a=(t[3]-t[1])/e,r=Math.max(s,a),o=this._resolutions,i=this._resolutions.reduce(function(t,e){return Math.abs(e-r)=s;p=i+=-1)for(h=r=a=_,l=c;r<=l;h=r+=1)this.is_valid_tile(h,p,e)&&u.push([h,p,e,this.get_tile_meter_bounds(h,p,e)]);return u=this.sort_tiles_from_center(u,[_,f,c,d]);var b,x},e.prototype.quadkey_to_tile_xyz=function(t){"Computes tile x, y and z values based on quadKey.";var e,n,i,r,o,s,a,l;for(o=0,s=0,a=t.length,e=n=r=a;n>0;e=n+=-1)switch(l=t.charAt(a-e),i=1<0;r=o+=-1)i=0,s=1<0;)if(i=i.substring(0,i.length-1),s=this.quadkey_to_tile_xyz(i),t=s[0],e=s[1],n=s[2],a=this.denormalize_xyz(t,e,n,r),t=a[0],e=a[1],n=a[2],this.tile_xyz_to_key(t,e,n)in this.tiles)return[t,e,n];return[0,0,0];var o,s,a},e.prototype.normalize_xyz=function(t,e,n){var i;return this.wrap_around?(i=Math.pow(2,n),[(t%i+i)%i,e,n]):[t,e,n]},e.prototype.denormalize_xyz=function(t,e,n,i){return[t+i*Math.pow(2,n),e,n]},e.prototype.denormalize_meters=function(t,e,n,i){return[t+2*i*Math.PI*6378137,e]},e.prototype.calculate_world_x_by_tile_xyz=function(t,e,n){return Math.floor(t/Math.pow(2,n))},e}(o.TileSource);n.MercatorTileSource=a,a.prototype.type="MercatorTileSource",a.define({wrap_around:[s.Bool,!0]}),a.override({x_origin_offset:20037508.34,y_origin_offset:20037508.34,initial_resolution:156543.03392804097})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(200),o=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.get_image_url=function(t,e,n){var i,r;return i=this.string_lookup_replace(this.url,this.extra_url_vars),o=this.tms_to_wmts(t,e,n),t=o[0],e=o[1],n=o[2],r=this.tile_xyz_to_quadkey(t,e,n),i.replace("{Q}",r);var o},e}(r.MercatorTileSource);n.QUADKEYTileSource=o,o.prototype.type="QUADKEYTileSource"},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=function(t,e){if(!(t instanceof e))throw new Error("Bound instance method accessed before binding")},o=[].indexOf,s=t(197),a=t(206),l=t(165),u=t(5),h=t(15),c=t(42);n.TileRendererView=function(t){function e(){var e=t.apply(this,arguments)||this;return e._add_attribution=e._add_attribution.bind(e),e._on_tile_load=e._on_tile_load.bind(e),e._on_tile_cache_load=e._on_tile_cache_load.bind(e),e._on_tile_error=e._on_tile_error.bind(e),e._prefetch_tiles=e._prefetch_tiles.bind(e),e._update=e._update.bind(e),e}return i.__extends(e,t),e.prototype.initialize=function(e){return this.attributionEl=null,this._tiles=[],t.prototype.initialize.call(this,e)},e.prototype.connect_signals=function(){return t.prototype.connect_signals.call(this),this.connect(this.model.change,function(){return this.request_render()})},e.prototype.get_extent=function(){return[this.x_range.start,this.y_range.start,this.x_range.end,this.y_range.end]},e.prototype._set_data=function(){return this.pool=new s.ImagePool,this.map_plot=this.plot_model.plot,this.map_canvas=this.plot_view.canvas_view.ctx,this.map_frame=this.plot_model.frame,this.x_range=this.map_plot.x_range,this.y_range=this.map_plot.y_range,this.extent=this.get_extent(),this._last_height=void 0,this._last_width=void 0},e.prototype._add_attribution=function(){var t,n,i,o,s;if(r(this,e),t=this.model.tile_source.attribution,c.isString(t)&&t.length>0)return null==this.attributionEl&&(s=this.plot_model.canvas._right.value-this.plot_model.frame._right.value,n=this.plot_model.canvas._bottom.value-this.plot_model.frame._bottom.value,i=this.map_frame._width.value,this.attributionEl=u.div({"class":"bk-tile-attribution",style:{position:"absolute",bottom:n+"px",right:s+"px","max-width":i+"px",padding:"2px","background-color":"rgba(255,255,255,0.8)","font-size":"9pt","font-family":"sans-serif"}}),o=this.plot_view.canvas_view.events_el,o.appendChild(this.attributionEl)),this.attributionEl.innerHTML=t},e.prototype._map_data=function(){var t,e;return this.initial_extent=this.get_extent(),e=this.model.tile_source.get_level_by_extent(this.initial_extent,this.map_frame._height.value,this.map_frame._width.value),t=this.model.tile_source.snap_to_zoom(this.initial_extent,this.map_frame._height.value,this.map_frame._width.value,e),this.x_range.start=t[0],this.y_range.start=t[1],this.x_range.end=t[2],this.y_range.end=t[3],this._add_attribution()},e.prototype._on_tile_load=function(t){var n;return r(this,e),n=t.target.tile_data,n.img=t.target,n.current=!0,n.loaded=!0,this.request_render()},e.prototype._on_tile_cache_load=function(t){var n;return r(this,e),n=t.target.tile_data,n.img=t.target,n.loaded=!0,n.finished=!0,this.notify_finished()},e.prototype._on_tile_error=function(t){var n;return r(this,e),n=t.target.tile_data,n.finished=!0},e.prototype._create_tile=function(t,e,n,i,r){void 0===r&&(r=!1);var o,s;return o=this.model.tile_source.normalize_xyz(t,e,n),s=this.pool.pop(),r?s.onload=this._on_tile_cache_load:s.onload=this._on_tile_load,s.onerror=this._on_tile_error,s.alt="",s.tile_data={tile_coords:[t,e,n],normalized_coords:o,quadkey:this.model.tile_source.tile_xyz_to_quadkey(t,e,n),cache_key:this.model.tile_source.tile_xyz_to_key(t,e,n),bounds:i,loaded:!1,finished:!1,x_coord:i[0],y_coord:i[3]},this.model.tile_source.tiles[s.tile_data.cache_key]=s.tile_data,s.src=(a=this.model.tile_source).get_image_url.apply(a,o),this._tiles.push(s),s;var a},e.prototype._enforce_aspect_ratio=function(){var t,e,n;return(this._last_height!==this.map_frame._height.value||this._last_width!==this.map_frame._width.value)&&(t=this.get_extent(),n=this.model.tile_source.get_level_by_extent(t,this.map_frame._height.value,this.map_frame._width.value),e=this.model.tile_source.snap_to_zoom(t,this.map_frame._height.value,this.map_frame._width.value,n),this.x_range.setv({start:e[0],end:e[2]}),this.y_range.setv({start:e[1],end:e[3]}),this.extent=e,this._last_height=this.map_frame._height.value,this._last_width=this.map_frame._width.value,!0)},e.prototype.has_finished=function(){var e,n,i,r;if(!t.prototype.has_finished.call(this))return!1;if(0===this._tiles.length)return!1;for(i=this._tiles,e=0,n=i.length;ex&&(_=this.extent,R=x,j=!0),j&&(this.x_range.setv({x_range:{start:_[0],end:_[2]}}),this.y_range.setv({start:_[1],end:_[3]}),this.extent=_),this.extent=_,N=C.get_tiles_by_extent(_,R),T=[],k=[],i=[],l=[],d=0,g=N.length;d=i?(p=[1,l/i],c=p[0],_=p[1]):(d=[i/l,1],c=d[0],_=d[1]),t[0]<=e[0]?(o=t[0],s=t[0]+h*c,s>hend&&(s=hend)):(s=t[0],o=t[0]-h*c,ovend&&(a=vend)):(a=t[1],r=t[1]-h/i,rn.end)&&(this.v_axis_only=!0),(os.end)&&(this.h_axis_only=!0)),null!=(i=this.model.document)?i.interactive_start(this.plot_model.plot):void 0;var a},e.prototype._pan=function(t){var e;return this._update(t.deltaX,t.deltaY),null!=(e=this.model.document)?e.interactive_start(this.plot_model.plot):void 0},e.prototype._pan_end=function(t){if(this.h_axis_only=!1,this.v_axis_only=!1,null!=this.pan_info)return this.plot_view.push_state("pan",{range:this.pan_info})},e.prototype._update=function(t,e){var n,i,r,o,s,a,l,u,h,c,_,p,d,f,m,v,g,y,b,x,w,k,M,S,T;r=this.plot_view.frame,l=t-this.last_dx,u=e-this.last_dy,o=r.bbox.h_range,y=o.start-l,g=o.end-l,M=r.bbox.v_range,k=M.start-u,w=M.end-u,n=this.model.dimensions,"width"!==n&&"both"!==n||this.v_axis_only?(m=o.start,v=o.end,p=0):(m=y,v=g,p=-l),"height"!==n&&"both"!==n||this.h_axis_only?(b=M.start,x=M.end,d=0):(b=k,x=w,d=-u),this.last_dx=t,this.last_dy=e,S={},h=r.xscales;for(a in h)_=h[a],O=_.r_invert(m,v),f=O[0],i=O[1],S[a]={start:f,end:i};T={},c=r.yscales;for(a in c)_=c[a],A=_.r_invert(b,x),f=A[0],i=A[1],T[a]={start:f,end:i};return this.pan_info={xrs:S,yrs:T,sdx:p,sdy:d},this.plot_view.update_range(this.pan_info,s=!0),null;var O,A},e}(r.GestureToolView);var s=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.GestureTool);n.PanTool=s,s.prototype.default_view=n.PanToolView,s.prototype.type="PanTool",s.prototype.tool_name="Pan",s.prototype.event_type="pan",s.prototype.default_order=10,s.define({dimensions:[o.Dimensions,"both"]}),s.getters({tooltip:function(){return this._get_dim_tooltip("Pan",this.dimensions)},icon:function(){var t;return t=function(){switch(this.dimensions){case"both":return"pan";case"width":return"xpan";case"height":return"ypan"}}.call(this),"bk-tool-icon-"+t}})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i,r=t(364),o=t(222),s=t(62),a=t(15),l=t(22);n.PolySelectToolView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return r.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e),this.connect(this.model.properties.active.change,function(){return this._active_change()}),this.data={sx:[],sy:[]}},e.prototype._active_change=function(){if(!this.model.active)return this._clear_data()},e.prototype._keyup=function(t){if(13===t.keyCode)return this._clear_data()},e.prototype._doubletap=function(t){var e,n;return e=null!=(n=t.srcEvent.shiftKey)&&n,this._do_select(this.data.sx,this.data.sy,!0,e),this.plot_view.push_state("poly_select",{selection:this.plot_view.get_selection()}),this._clear_data()},e.prototype._clear_data=function(){return this.data={sx:[],sy:[]},this.model.overlay.update({xs:[],ys:[]})},e.prototype._tap=function(t){var e,n,i;if(r=t.bokeh,n=r.sx,i=r.sy,e=this.plot_model.frame,e.bbox.contains(n,i)){return this.data.sx.push(n),this.data.sy.push(i),this.model.overlay.update({xs:l.copy(this.data.sx),ys:l.copy(this.data.sy)});var r}},e.prototype._do_select=function(t,e,n,i){var r;return r={type:"poly",sx:t,sy:e},this._select(r,n,i)},e.prototype._emit_callback=function(t){var e,n,i,r;n=this.computed_renderers[0],e=this.plot_model.frame,i=e.xscales[n.x_range_name],r=e.yscales[n.y_range_name],t.x=i.v_invert(t.sx),t.y=i.v_invert(t.sy),this.model.callback.execute(this.model,{geometry:t})},e}(o.SelectToolView),i=function(){return new s.PolyAnnotation({level:"overlay",xs_units:"screen",ys_units:"screen",fill_color:{value:"lightgrey"},fill_alpha:{value:.5},line_color:{value:"black"},line_alpha:{value:1},line_width:{value:2},line_dash:{value:[4,4]}})};var u=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return r.__extends(e,t),e}(o.SelectTool);n.PolySelectTool=u,u.prototype.default_view=n.PolySelectToolView,u.prototype.type="PolySelectTool",u.prototype.tool_name="Poly Select",u.prototype.icon="bk-tool-icon-polygon-select",u.prototype.event_type="tap",u.prototype.default_order=11,u.define({callback:[a.Instance],overlay:[a.Instance,i]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(218),o=t(161),s=t(162),a=t(14),l=t(15),u=t(30),h=t(3),c=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype._computed_renderers_by_data_source=function(){var t,e,n,i,r,a;for(r={},i=this.computed_renderers,t=0,e=i.length;to;i=0<=o?++r:--r)n.x[i]=s.invert(n.sx[i]),n.y[i]=l.invert(n.sy[i]);break;default:a.logger.debug("Unrecognized selection geometry type: '"+n.type+"'")}return this.plot_model.plot.trigger_event(new h.SelectionGeometry({geometry:n,"final":e}));var c,_},e}(r.GestureToolView);n.SelectToolView=c,c.getters({computed_renderers:function(){var t,e,n,i;return i=this.model.renderers,e=this.model.names,0===i.length&&(t=this.plot_model.plot.renderers,i=function(){var e,i,r;for(r=[],e=0,i=t.length;e0&&(i=function(){var t,r,o;for(o=[],t=0,r=i.length;t=0&&o.push(n);return o}()),i}});var _=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.GestureTool);n.SelectTool=_,_.define({renderers:[l.Array,[]],names:[l.Array,[]]}),_.internal({multi_select_modifier:[l.String,"shift"]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(222),o=t(15),s=t(42);n.TapToolView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype._tap=function(t){var e,n,i,r;return o=t.bokeh,i=o.sx,r=o.sy,e=null!=(n=t.srcEvent.shiftKey)&&n,this._select(i,r,!0,e);var o},e.prototype._select=function(t,e,n,i){var r,o,a,l,u,h,c,_,p,d,f,m,v;if(u={type:"point",sx:t,sy:e},o=this.model.callback,a={geometries:u},"select"===this.model.behavior){m=this._computed_renderers_by_data_source();for(r in m)f=m[r],v=f[0].get_selection_manager(),p=function(){var t,e,n;for(n=[],t=0,e=f.length;t.9?e=.9:e<-.9&&(e=-.9),this._update_ranges(e)},e.prototype._update_ranges=function(t){var 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this._get_dim_tooltip(this.tool_name,this.dimensions)}}),a.define({dimensions:[s.Dimensions,"both"]}),a.internal({speed:[s.Number,1/600]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(207);n.ActionTool=i.ActionTool;var r=t(208);n.HelpTool=r.HelpTool;var o=t(209);n.RedoTool=o.RedoTool;var s=t(210);n.ResetTool=s.ResetTool;var a=t(211);n.SaveTool=a.SaveTool;var l=t(212);n.UndoTool=l.UndoTool;var u=t(213);n.ZoomInTool=u.ZoomInTool;var h=t(214);n.ZoomOutTool=h.ZoomOutTool;var c=t(215);n.ButtonTool=c.ButtonTool;var _=t(216);n.BoxSelectTool=_.BoxSelectTool;var p=t(217);n.BoxZoomTool=p.BoxZoomTool;var d=t(218);n.GestureTool=d.GestureTool;var f=t(219);n.LassoSelectTool=f.LassoSelectTool;var m=t(220);n.PanTool=m.PanTool;var v=t(221);n.PolySelectTool=v.PolySelectTool;var g=t(222);n.SelectTool=g.SelectTool;var y=t(223);n.TapTool=y.TapTool;var b=t(224);n.WheelPanTool=b.WheelPanTool;var x=t(225);n.WheelZoomTool=x.WheelZoomTool;var w=t(227);n.CrosshairTool=w.CrosshairTool;var k=t(228);n.HoverTool=k.HoverTool;var M=t(229);n.InspectTool=M.InspectTool;var S=t(231);n.Tool=S.Tool;var T=t(232);n.ToolProxy=T.ToolProxy;var O=t(233);n.Toolbar=O.Toolbar;var A=t(234);n.ToolbarBase=A.ToolbarBase;var E=t(235);n.ProxyToolbar=E.ProxyToolbar;var j=t(235);n.ToolbarBox=j.ToolbarBox},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(229),o=t(63),s=t(15),a=t(30);n.CrosshairToolView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype._move=function(t){var e,n;if(this.model.active){return i=t.bokeh,e=i.sx,n=i.sy,this.plot_model.frame.bbox.contains(e,n)||(e=n=null),this._update_spans(e,n);var i}},e.prototype._move_exit=function(t){return this._update_spans(null,null)},e.prototype._update_spans=function(t,e){var n;if(n=this.model.dimensions,"width"!==n&&"both"!==n||(this.model.spans.width.computed_location=e),"height"===n||"both"===n)return this.model.spans.height.computed_location=t},e}(r.InspectToolView);var l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e,n){return t.prototype.initialize.call(this,e,n),this.spans={width:new o.Span({for_hover:!0,dimension:"width",render_mode:this.render_mode,location_units:this.location_units,line_color:this.line_color,line_width:this.line_width,line_alpha:this.line_alpha}),height:new o.Span({for_hover:!0,dimension:"height",render_mode:this.render_mode,location_units:this.location_units,line_color:this.line_color,line_width:this.line_width,line_alpha:this.line_alpha})}},e}(r.InspectTool);n.CrosshairTool=l,l.prototype.default_view=n.CrosshairToolView,l.prototype.type="CrosshairTool",l.prototype.tool_name="Crosshair",l.prototype.icon="bk-tool-icon-crosshair",l.define({dimensions:[s.Dimensions,"both"],line_color:[s.Color,"black"],line_width:[s.Number,1],line_alpha:[s.Number,1]}),l.internal({location_units:[s.SpatialUnits,"screen"],render_mode:[s.RenderMode,"css"],spans:[s.Any]}),l.getters({tooltip:function(){return this._get_dim_tooltip("Crosshair",this.dimensions)},synthetic_renderers:function(){return a.values(this.spans)}})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(229),o=t(67),s=t(161),a=t(162),l=t(9),u=t(39),h=t(5),c=t(15),_=t(26),p=t(30),d=t(42),f=t(4);n._nearest_line_hit=function(t,e,n,i,r,o){var s,a,u,h,c,_;if(s=r[t],a=o[t],u=r[t+1],h=o[t+1],"span"===e.type)switch(e.direction){case"h":c=Math.abs(s-n),_=Math.abs(u-n);break;case"v":c=Math.abs(a-i),_=Math.abs(h-i)}else c=l.dist_2_pts(s,a,n,i),_=l.dist_2_pts(u,h,n,i);return c<_?[[s,a],t]:[[u,h],t+1]},n._line_hit=function(t,e,n){return[[t[n],e[n]],n]};var m=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){return t.prototype.initialize.call(this,e),this.ttviews={}},e.prototype.remove=function(){return f.remove_views(this.ttviews),t.prototype.remove.call(this)},e.prototype.connect_signals=function(){var e,n,i,r;for(t.prototype.connect_signals.call(this),r=this.computed_renderers,e=0,n=r.length;e0&&(i=function(){var t,r,o;for(o=[],t=0,r=i.length;t=0&&o.push(n);return o}()),i},e.prototype._compute_ttmodels=function(){var t,e,n,i,r,l,u;if(u={},l=this.model.tooltips,null!=l)for(i=this.computed_renderers,t=0,e=i.length;t=0){if(M=w.match(/\$color(\[.*\])?:(\w*)/),m=M[0],v=M[1],r=M[2],s=t.get_column(r),null==s){a=h.span({},r+" unknown"),i.appendChild(a);continue}if(l=(null!=v?v.indexOf("hex"):void 0)>=0,b=(null!=v?v.indexOf("swatch"):void 0)>=0,o=s[e],null==o){a=h.span({},"(null)"),i.appendChild(a);continue}l&&(o=_.color2hex(o)),a=h.span({},o),i.appendChild(a),b&&(a=h.span({"class":"bk-tooltip-color-block",style:{backgroundColor:o}}," "),i.appendChild(a))}else w=w.replace("$~","$data_"),a=h.span(),a.innerHTML=u.replace_placeholders(w,t,e,this.model.formatters,n),i.appendChild(a);return y;var k,M},e}(r.InspectToolView);n.HoverToolView=m,m.getters({computed_renderers:function(){return null==this._computed_renderers&&(this._computed_renderers=this._compute_renderers()),this._computed_renderers},ttmodels:function(){return null==this._ttmodels&&(this._ttmodels=this._compute_ttmodels()),this._ttmodels}});var v=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(r.InspectTool);n.HoverTool=v,v.prototype.default_view=m,v.prototype.type="HoverTool",v.prototype.tool_name="Hover",v.prototype.icon="bk-tool-icon-hover",v.define({tooltips:[c.Any,[["index","$index"],["data (x, y)","($x, $y)"],["screen (x, y)","($sx, $sy)"]]],formatters:[c.Any,{}],renderers:[c.Array,[]],names:[c.Array,[]],mode:[c.String,"mouse"],point_policy:[c.String,"snap_to_data"],line_policy:[c.String,"nearest"],show_arrow:[c.Boolean,!0],anchor:[c.String,"center"],attachment:[c.String,"horizontal"],callback:[c.Any]})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(15),o=t(215),s=t(230);n.InspectToolView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(o.ButtonToolView);var a=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e}(o.ButtonTool);n.InspectTool=a,a.prototype.button_view=s.OnOffButtonView,a.prototype.event_type="move",a.define({toggleable:[r.Bool,!0]}),a.override({active:!0})},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(215);n.OnOffButtonView=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.render=function(){return t.prototype.render.call(this),this.model.active?this.el.classList.add("bk-active"):this.el.classList.remove("bk-active")},e.prototype._clicked=function(){var t;return t=this.model.active,this.model.active=!t},e}(r.ButtonToolButtonView)},function(t,e,n){"use strict";Object.defineProperty(n,"__esModule",{value:!0});var i=t(364),r=t(15),o=t(45),s=t(22),a=t(50),l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return i.__extends(e,t),e.prototype.initialize=function(e){return 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0===s&&(s=null),this.url=t,this.id=e,this.args_string=n,this._on_have_session_hook=o,this._on_closed_permanently_hook=s,this._number=h++,this.socket=null,this.session=null,this.closed_permanently=!1,this._current_handler=null,this._pending_ack=null,this._pending_replies={},this._receiver=new a.Receiver,r.logger.debug("Creating websocket "+this._number+" to '"+this.url+"' session '"+this.id+"'")}return t.prototype.connect=function(){var t=this;if(this.closed_permanently)return n.Promise.reject(new Error("Cannot connect() a closed ClientConnection"));if(null!=this.socket)return n.Promise.reject(new Error("Already connected"));this._pending_replies={},this._current_handler=null;try{var e=this.url+"?bokeh-protocol-version=1.0&bokeh-session-id="+this.id;return null!=this.args_string&&this.args_string.length>0&&(e+="&"+this.args_string),this.socket=new WebSocket(e),new n.Promise(function(e,i){t.socket.binaryType="arraybuffer",t.socket.onopen=function(){return t._on_open(e,i)},t.socket.onmessage=function(e){return t._on_message(e)},t.socket.onclose=function(e){return t._on_close(e)},t.socket.onerror=function(){return t._on_error(i)}})}catch(t){return r.logger.error("websocket creation failed to url: "+this.url),r.logger.error(" - "+t),n.Promise.reject(t)}},t.prototype.close=function(){this.closed_permanently||(r.logger.debug("Permanently closing websocket connection "+this._number),this.closed_permanently=!0,null!=this.socket&&this.socket.close(1e3,"close method called on ClientConnection "+this._number),this.session._connection_closed(),null!=this._on_closed_permanently_hook&&(this._on_closed_permanently_hook(),this._on_closed_permanently_hook=null))},t.prototype._schedule_reconnect=function(t){var e=this;setTimeout(function(){e.closed_permanently||r.logger.info("Websocket connection "+e._number+" disconnected, will not attempt to reconnect");return},t)},t.prototype.send=function(t){if(null==this.socket)throw new Error("not connected so cannot send "+t);t.send(this.socket)},t.prototype.send_with_reply=function(t){var e=this,i=new n.Promise(function(i,n){e._pending_replies[t.msgid()]=[i,n],e.send(t)});return i.then(function(t){if("ERROR"===t.msgtype())throw new Error("Error reply "+t.content.text);return t},function(t){throw t})},t.prototype._pull_doc_json=function(){var t=s.Message.create("PULL-DOC-REQ",{}),e=this.send_with_reply(t);return e.then(function(t){if(!("doc"in t.content))throw new Error("No 'doc' field in PULL-DOC-REPLY");return t.content.doc},function(t){throw t})},t.prototype._repull_session_doc=function(){var t=this;null==this.session?r.logger.debug("Pulling session for first time"):r.logger.debug("Repulling session"),this._pull_doc_json().then(function(e){if(null==t.session)if(t.closed_permanently)r.logger.debug("Got new document after connection was already closed");else{var i=o.Document.from_json(e),n=o.Document._compute_patch_since_json(e,i);if(n.events.length>0){r.logger.debug("Sending "+n.events.length+" changes from model construction back to server");var a=s.Message.create("PATCH-DOC",{},n);t.send(a)}t.session=new l.ClientSession(t,i,t.id),r.logger.debug("Created a new session from new pulled doc"),null!=t._on_have_session_hook&&(t._on_have_session_hook(t.session),t._on_have_session_hook=null)}else t.session.document.replace_with_json(e),r.logger.debug("Updated existing session with new pulled doc")},function(t){throw t}).catch(function(t){null!=console.trace&&console.trace(t),r.logger.error("Failed to repull session "+t)})},t.prototype._on_open=function(t,e){var i=this;r.logger.info("Websocket connection "+this._number+" is now open"),this._pending_ack=[t,e],this._current_handler=function(t){i._awaiting_ack_handler(t)}},t.prototype._on_message=function(t){null==this._current_handler&&r.logger.error("Got a message with no current handler set");try{this._receiver.consume(t.data)}catch(t){this._close_bad_protocol(t.toString())}if(null!=this._receiver.message){var e=this._receiver.message,i=e.problem();null!=i&&this._close_bad_protocol(i),this._current_handler(e)}},t.prototype._on_close=function(t){var e=this;r.logger.info("Lost websocket "+this._number+" connection, "+t.code+" ("+t.reason+")"),this.socket=null,null!=this._pending_ack&&(this._pending_ack[1](new Error("Lost websocket connection, "+t.code+" ("+t.reason+")")),this._pending_ack=null);for(var i=function(){for(var t in e._pending_replies){var i=e._pending_replies[t];return delete e._pending_replies[t],i}return null},n=i();null!=n;)n[1]("Disconnected"),n=i();this.closed_permanently||this._schedule_reconnect(2e3)},t.prototype._on_error=function(t){r.logger.debug("Websocket error on socket "+this._number),t(new Error("Could not open websocket"))},t.prototype._close_bad_protocol=function(t){r.logger.error("Closing connection: "+t),null!=this.socket&&this.socket.close(1002,t)},t.prototype._awaiting_ack_handler=function(t){var e=this;"ACK"===t.msgtype()?(this._current_handler=function(t){return e._steady_state_handler(t)},this._repull_session_doc(),null!=this._pending_ack&&(this._pending_ack[0](this),this._pending_ack=null)):this._close_bad_protocol("First message was not an ACK")},t.prototype._steady_state_handler=function(t){if(t.reqid()in this._pending_replies){var e=this._pending_replies[t.reqid()];delete this._pending_replies[t.reqid()],e[0](t)}else this.session.handle(t)},t}();i.ClientConnection=c,i.pull_session=function(t,e,i){return new n.Promise(function(n,o){return new c(t,e,i,function(t){try{n(t)}catch(e){throw r.logger.error("Promise handler threw an error, closing session "+e),t.close(),e}},function(){o(new Error("Connection was closed before we successfully pulled a session"))}).connect().then(function(t){},function(t){throw r.logger.error("Failed to connect to Bokeh server "+t),t})})}},function(t,e,i){var n=t(14),r=t(50),o=t(260),s=function(){function t(t,e,i){var n=this;this._connection=t,this.document=e,this.id=i,this._document_listener=function(t){return n._document_changed(t)},this.document.on_change(this._document_listener),this.event_manager=this.document.event_manager,this.event_manager.session=this}return t.prototype.handle=function(t){var e=t.msgtype();"PATCH-DOC"===e?this._handle_patch(t):"OK"===e?this._handle_ok(t):"ERROR"===e?this._handle_error(t):n.logger.debug("Doing nothing with message "+t.msgtype())},t.prototype.close=function(){this._connection.close()},t.prototype.send_event=function(t){var e=o.Message.create("EVENT",{},JSON.stringify(t));this._connection.send(e)},t.prototype._connection_closed=function(){this.document.remove_on_change(this._document_listener)},t.prototype.request_server_info=function(){var t=o.Message.create("SERVER-INFO-REQ",{}),e=this._connection.send_with_reply(t);return e.then(function(t){return t.content})},t.prototype.force_roundtrip=function(){return this.request_server_info().then(function(t){})},t.prototype._document_changed=function(t){if(t.setter_id!==this.id&&(!(t instanceof r.ModelChangedEvent)||t.attr in t.model.serializable_attributes())){var e=o.Message.create("PATCH-DOC",{},this.document.create_json_patch([t]));this._connection.send(e)}},t.prototype._handle_patch=function(t){this.document.apply_json_patch(t.content,t.buffers,this.id)},t.prototype._handle_ok=function(t){n.logger.trace("Unhandled OK reply to "+t.reqid())},t.prototype._handle_error=function(t){n.logger.error("Unhandled ERROR reply to "+t.reqid()+": "+t.content.text)},t}();i.ClientSession=s},function(t,e,i){function n(t){return function(e){e.prototype.event_name=t,a[t]=e}}var r=t(379),o=t(14),s=t(32),a={};i.register_event_class=n,i.register_with_event=function(t){for(var e=[],i=1;i0&&(this._pending=!0);for(var h=0;h1)return r(t,i);var s={x:e.x+o*(i.x-e.x),y:e.y+o*(i.y-e.y)};return r(t,s)}var s=t(21),a=t(181);i.point_in_poly=function(t,e,i,n){for(var r=!1,o=i[i.length-1],s=n[n.length-1],a=0;an&&(s=[n,i],i=s[0],n=s[1]);r>o&&(a=[o,r],r=a[0],o=a[1]);return{minX:i,minY:r,maxX:n,maxY:o};var s,a},i.dist_2_pts=r,i.dist_to_segment_squared=o,i.dist_to_segment=function(t,e,i){return Math.sqrt(o(t,e,i))},i.check_2_segments_intersect=function(t,e,i,n,r,o,s,a){var l=(a-o)*(i-t)-(s-r)*(n-e);if(0==l)return{hit:!1,x:null,y:null};var h=e-o,c=t-r,u=(s-r)*h-(a-o)*c,_=(i-t)*h-(n-e)*c;c=_/l;var p=t+(h=u/l)*(i-t),d=e+h*(n-e);return{hit:h>0&&h<1&&c>0&&c<1,x:p,y:d}}},function(t,e,i){var n=t(13),r=t(21);i.vstack=function(t,e){var i=[];if(e.length>0){i.push(n.EQ(r.head(e)._bottom,[-1,t._bottom])),i.push(n.EQ(r.tail(e)._top,[-1,t._top])),i.push.apply(i,r.pairwise(e,function(t,e){return n.EQ(t._top,[-1,e._bottom])}));for(var o=0,s=e;o0){i.push(n.EQ(r.head(e)._right,[-1,t._right])),i.push(n.EQ(r.tail(e)._left,[-1,t._left])),i.push.apply(i,r.pairwise(e,function(t,e){return n.EQ(t._left,[-1,e._right])}));for(var o=0,s=e;o0){var n=r[e];return null==n&&(r[e]=n=new t(e,i)),n}throw new TypeError("Logger.get() expects a non-empty string name and an optional log-level")},Object.defineProperty(t.prototype,"level",{get:function(){return this.get_level()},enumerable:!0,configurable:!0}),t.prototype.get_level=function(){return this._log_level},t.prototype.set_level=function(e){if(e instanceof o)this._log_level=e;else{if(!n.isString(e)||null==t.log_levels[e])throw new Error("Logger.set_level() expects a log-level object or a string name of a log-level");this._log_level=t.log_levels[e]}var i="["+this._name+"]";for(var r in t.log_levels){var s=t.log_levels[r];s.level0){var p=this.source.selection_policy.hit_test(e,t);c=c||this.source.selection_policy.do_selection(p,this.source,i,n)}return c},e.prototype.inspect=function(t,e){var i=!1;if("GlyphRenderer"==t.model.type){var n=t.hit_test(e);i=!n.is_empty();var r=this.get_or_create_inspector(t.model);r.update(n,!0,!1),this.source.setv({inspected:r},{silent:!0}),this.source.inspect.emit([t,{geometry:e}])}else if(t.model instanceof s.GraphRenderer){var n=t.model.inspection_policy.hit_test(e,t);i=i||t.model.inspection_policy.do_inspection(n,e,t,!1,!1)}return i},e.prototype.clear=function(t){this.source.selected.clear(),null!=t&&this.get_or_create_inspector(t.model).clear()},e.prototype.get_or_create_inspector=function(t){return null==this.inspectors[t.id]&&(this.inspectors[t.id]=new o.Selection),this.inspectors[t.id]},e}(r.HasProps);i.SelectionManager=l,l.initClass()},function(t,e,i){var n=function(){function t(){this._dev=!1}return Object.defineProperty(t.prototype,"dev",{get:function(){return this._dev},set:function(t){this._dev=t},enumerable:!0,configurable:!0}),t}();i.Settings=n,i.settings=new n},function(t,e,i){function n(t,e,i,n){return l.find(t,function(t){return t.signal===e&&t.slot===i&&t.context===n})}function r(t){0===p.size&&a.defer(o),p.add(t)}function o(){p.forEach(function(t){l.removeBy(t,function(t){return null==t.signal})}),p.clear()}var s=t(379),a=t(25),l=t(21),h=function(){function t(t,e){this.sender=t,this.name=e}return t.prototype.connect=function(t,e){void 0===e&&(e=null),u.has(this.sender)||u.set(this.sender,[]);var i=u.get(this.sender);if(null!=n(i,this,t,e))return!1;var r=e||t;_.has(r)||_.set(r,[]);var o=_.get(r),s={signal:this,slot:t,context:e};return i.push(s),o.push(s),!0},t.prototype.disconnect=function(t,e){void 0===e&&(e=null);var i=u.get(this.sender);if(null==i||0===i.length)return!1;var o=n(i,this,t,e);if(null==o)return!1;var s=e||t,a=_.get(s);return o.signal=null,r(i),r(a),!0},t.prototype.emit=function(t){for(var e=u.get(this.sender)||[],i=0,n=e;i0;var p=function(){function t(t,e,i,n){this.plot_view=t,this.toolbar=e,this.hit_area=i,this.plot=n,this.pan_start=new o.Signal(this,"pan:start"),this.pan=new o.Signal(this,"pan"),this.pan_end=new o.Signal(this,"pan:end"),this.pinch_start=new o.Signal(this,"pinch:start"),this.pinch=new o.Signal(this,"pinch"),this.pinch_end=new o.Signal(this,"pinch:end"),this.rotate_start=new o.Signal(this,"rotate:start"),this.rotate=new o.Signal(this,"rotate"),this.rotate_end=new o.Signal(this,"rotate:end"),this.tap=new o.Signal(this,"tap"),this.doubletap=new o.Signal(this,"doubletap"),this.press=new o.Signal(this,"press"),this.move_enter=new o.Signal(this,"move:enter"),this.move=new o.Signal(this,"move"),this.move_exit=new o.Signal(this,"move:exit"),this.scroll=new o.Signal(this,"scroll"),this.keydown=new o.Signal(this,"keydown"),this.keyup=new o.Signal(this,"keyup"),this.hammer=new r(this.hit_area),this._configure_hammerjs()}return t.prototype._configure_hammerjs=function(){var t=this;this.hammer.get("doubletap").recognizeWith("tap"),this.hammer.get("tap").requireFailure("doubletap"),this.hammer.get("doubletap").dropRequireFailure("tap"),this.hammer.on("doubletap",function(e){return t._doubletap(e)}),this.hammer.on("tap",function(e){return t._tap(e)}),this.hammer.on("press",function(e){return t._press(e)}),this.hammer.get("pan").set({direction:r.DIRECTION_ALL}),this.hammer.on("panstart",function(e){return t._pan_start(e)}),this.hammer.on("pan",function(e){return t._pan(e)}),this.hammer.on("panend",function(e){return t._pan_end(e)}),this.hammer.get("pinch").set({enable:!0}),this.hammer.on("pinchstart",function(e){return t._pinch_start(e)}),this.hammer.on("pinch",function(e){return t._pinch(e)}),this.hammer.on("pinchend",function(e){return t._pinch_end(e)}),this.hammer.get("rotate").set({enable:!0}),this.hammer.on("rotatestart",function(e){return t._rotate_start(e)}),this.hammer.on("rotate",function(e){return t._rotate(e)}),this.hammer.on("rotateend",function(e){return t._rotate_end(e)}),this.hit_area.addEventListener("mousemove",function(e){return t._mouse_move(e)}),this.hit_area.addEventListener("mouseenter",function(e){return t._mouse_enter(e)}),this.hit_area.addEventListener("mouseleave",function(e){return t._mouse_exit(e)}),this.hit_area.addEventListener("wheel",function(e){return t._mouse_wheel(e)}),document.addEventListener("keydown",function(e){return t._key_down(e)}),document.addEventListener("keyup",function(e){return t._key_up(e)})},t.prototype.register_tool=function(t){var e=this,i=t.model.event_type;null!=i&&(u.isString(i)?this._register_tool(t,i):i.forEach(function(i,n){return e._register_tool(t,i,n<1)}))},t.prototype._register_tool=function(t,e,n){void 0===n&&(n=!0);var r=t,o=r.model.id,a=function(t){return function(e){e.id==o&&t(e.e)}},l=function(t){return function(e){t(e.e)}};switch(e){case"pan":null!=r._pan_start&&r.connect(this.pan_start,a(r._pan_start.bind(r))),null!=r._pan&&r.connect(this.pan,a(r._pan.bind(r))),null!=r._pan_end&&r.connect(this.pan_end,a(r._pan_end.bind(r)));break;case"pinch":null!=r._pinch_start&&r.connect(this.pinch_start,a(r._pinch_start.bind(r))),null!=r._pinch&&r.connect(this.pinch,a(r._pinch.bind(r))),null!=r._pinch_end&&r.connect(this.pinch_end,a(r._pinch_end.bind(r)));break;case"rotate":null!=r._rotate_start&&r.connect(this.rotate_start,a(r._rotate_start.bind(r))),null!=r._rotate&&r.connect(this.rotate,a(r._rotate.bind(r))),null!=r._rotate_end&&r.connect(this.rotate_end,a(r._rotate_end.bind(r)));break;case"move":null!=r._move_enter&&r.connect(this.move_enter,a(r._move_enter.bind(r))),null!=r._move&&r.connect(this.move,a(r._move.bind(r))),null!=r._move_exit&&r.connect(this.move_exit,a(r._move_exit.bind(r)));break;case"tap":null!=r._tap&&r.connect(this.tap,a(r._tap.bind(r)));break;case"press":null!=r._press&&r.connect(this.press,a(r._press.bind(r)));break;case"scroll":null!=r._scroll&&r.connect(this.scroll,a(r._scroll.bind(r)));break;default:throw new Error("unsupported event_type: "+e)}n&&(null!=r._doubletap&&r.connect(this.doubletap,l(r._doubletap.bind(r))),null!=r._keydown&&r.connect(this.keydown,l(r._keydown.bind(r))),null!=r._keyup&&r.connect(this.keyup,l(r._keyup.bind(r))),i.is_mobile&&null!=r._scroll&&"pinch"==e&&(s.logger.debug("Registering scroll on touch screen"),r.connect(this.scroll,a(r._scroll.bind(r)))))},t.prototype._hit_test_renderers=function(t,e){for(var i=this.plot_view.get_renderer_views(),n=0,r=h.reversed(i);n0,"'step' must be a positive number"),null==e&&(e=t,t=0);for(var n=Math.max,r=Math.ceil,o=Math.abs,s=t<=e?i:-i,a=n(r(o(e-t)/i),0),l=Array(a),c=0;c0?0:n-1;r>=0&&r=0?e:t.length+e]},i.zip=function(t,e){for(var i=Math.min(t.length,e.length),n=new Array(i),r=0;rn||void 0===i)return 1;if(io&&(e=o),null==i||i>o-e?i=o-e:i<0&&(i=0);for(var s=o-i+n.length,a=new t.constructor(s),l=0;li&&(i=e);return i},i.maxBy=function(t,e){if(0==t.length)throw new Error("maxBy() called with an empty array");for(var 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n=t(379),r=t(53),o=t(15),s=t(44),a=t(21),l=t(14),h=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="Filter",this.define({filter:[o.Array,null]})},e.prototype.compute_indices=function(t){var e=this.filter;return null!=e&&e.length>=0?s.isArrayOf(e,s.isBoolean)?a.range(0,e.length).filter(function(t){return!0===e[t]}):s.isArrayOf(e,s.isInteger)?e:(l.logger.warn("Filter "+this.id+": filter should either be array of only booleans or only integers, defaulting to no filtering"),null):(l.logger.warn("Filter "+this.id+": filter was not set to be an array, defaulting to no filtering"),null)},e}(r.Model);i.Filter=h,h.initClass()},function(t,e,i){var n=t(379),r=t(92),o=t(15),s=t(14),a=t(21),l=function(t){function e(e){var i=t.call(this,e)||this;return i.indices=null,i}return 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u=0,_=t.length;u<_;u++)if(h[u]=t[u].toFixed(p).replace(/(\.[0-9]*?)0+$/,"$1").replace(/\.$/,""),u>0&&h[u]==h[u-1]){f=!1;break}if(f)break}if(f){this.last_precision=p;break}}return h},e}(r.TickFormatter);i.BasicTickFormatter=a,a.initClass()},function(t,e,i){var n=t(379),r=t(105),o=t(21),s=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="CategoricalTickFormatter"},e.prototype.doFormat=function(t,e){return o.copy(t)},e}(r.TickFormatter);i.CategoricalTickFormatter=s,s.initClass()},function(t,e,i){function n(t){return a(t,"%Y %m %d %H %M %S").split(/\s+/).map(function(t){return parseInt(t,10)})}function r(t,e){if(_.isFunction(e))return e(t);var i=s.sprintf("$1%06d",function(t){return Math.round(t/1e3%1*1e6)}(t));return-1==(e=e.replace(/((^|[^%])(%%)*)%f/,i)).indexOf("%")?e:a(t,e)}var o=t(379),s=t(377),a=t(378),l=t(105),h=t(14),c=t(15),u=t(21),_=t(44),p=["microseconds","milliseconds","seconds","minsec","minutes","hourmin","hours","days","months","years"],d=function(t){function e(e){var i=t.call(this,e)||this;return i.strip_leading_zeros=!0,i}return o.__extends(e,t),e.initClass=function(){this.prototype.type="DatetimeTickFormatter",this.define({microseconds:[c.Array,["%fus"]],milliseconds:[c.Array,["%3Nms","%S.%3Ns"]],seconds:[c.Array,["%Ss"]],minsec:[c.Array,[":%M:%S"]],minutes:[c.Array,[":%M","%Mm"]],hourmin:[c.Array,["%H:%M"]],hours:[c.Array,["%Hh","%H:%M"]],days:[c.Array,["%m/%d","%a%d"]],months:[c.Array,["%m/%Y","%b%y"]],years:[c.Array,["%Y"]]})},e.prototype.initialize=function(){t.prototype.initialize.call(this),this._update_width_formats()},e.prototype._update_width_formats=function(){var t=+a(new Date),e=function(e){var i=e.map(function(e){return r(t,e).length}),n=u.sortBy(u.zip(i,e),function(t){var e=t[0];return e});return u.unzip(n)};this._width_formats={microseconds:e(this.microseconds),milliseconds:e(this.milliseconds),seconds:e(this.seconds),minsec:e(this.minsec),minutes:e(this.minutes),hourmin:e(this.hourmin),hours:e(this.hours),days:e(this.days),months:e(this.months),years:e(this.years)}},e.prototype._get_resolution_str=function(t,e){var i=1.1*t;switch(!1){case!(i<.001):return"microseconds";case!(i<1):return"milliseconds";case!(i<60):return e>=60?"minsec":"seconds";case!(i<3600):return e>=3600?"hourmin":"minutes";case!(i<86400):return"hours";case!(i<2678400):return"days";case!(i<31536e3):return"months";default:return"years"}},e.prototype.doFormat=function(t,e){if(0==t.length)return[];for(var i=Math.abs(t[t.length-1]-t[0])/1e3,o=i/(t.length-1),s=this._get_resolution_str(o,i),a=this._width_formats[s],l=a[1],c=l[0],u=[],_=p.indexOf(s),d={},f=0,v=p;f0&&r[o]==r[o-1]){n=!0;break}return n?this.basic_formatter.doFormat(t,e):r},e}(r.TickFormatter);i.LogTickFormatter=l,l.initClass()},function(t,e,i){var n=t(379),r=t(96),o=t(15),s=t(33),a=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="MercatorTickFormatter",this.define({dimension:[o.LatLon]})},e.prototype.doFormat=function(e,i){if(null==this.dimension)throw new Error("MercatorTickFormatter.dimension not configured");if(0==e.length)return[];var n=e.length,r=new Array(n);if("lon"==this.dimension)for(var o=0;o=x&&f.push([y,S])}for(var C=this.model.properties.direction.value(),T=[],A=0,E=f;A=v&&c.push([d,k])}return o.create_hit_test_result_from_hits(c)},e.prototype.draw_legend_for_index=function(t,e,i){var n=e.x0,r=e.y0,o=e.x1,s=e.y1,a=i+1,l=new Array(a);l[i]=(n+o)/2;var h=new Array(a);h[i]=(r+s)/2;var c=.5*Math.min(Math.abs(o-n),Math.abs(s-r)),u=new Array(a);u[i]=.4*c;var _=new Array(a);_[i]=.8*c,this._render(t,[i],{sx:l,sy:h,sinner_radius:u,souter_radius:_})},e}(r.XYGlyphView);i.AnnulusView=l;var h=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="Annulus",this.prototype.default_view=l,this.mixins(["line","fill"]),this.define({inner_radius:[s.DistanceSpec],outer_radius:[s.DistanceSpec]})},e}(r.XYGlyph);i.Annulus=h,h.initClass()},function(t,e,i){var n=t(379),r=t(135),o=t(132),s=t(15),a=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype._map_data=function(){"data"==this.model.properties.radius.units?this.sradius=this.sdist(this.renderer.xscale,this._x,this._radius):this.sradius=this._radius},e.prototype._render=function(t,e,i){var n=i.sx,r=i.sy,o=i.sradius,s=i._start_angle,a=i._end_angle;if(this.visuals.line.doit)for(var l=this.model.properties.direction.value(),h=0,c=e;h1?(_[i]=u,p[i]=u/c):(_[i]=u*c,p[i]=u),this._render(t,[i],{sx:l,sy:h,sw:_,sh:p})},e.prototype._bounds=function(t){var e=t.minX,i=t.maxX,n=t.minY,r=t.maxY;return{minX:e-this.max_w2,maxX:i+this.max_w2,minY:n-this.max_h2,maxY:r+this.max_h2}},e}(r.XYGlyphView);i.EllipseView=s;var a=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="Ellipse",this.prototype.default_view=s,this.mixins(["line","fill"]),this.define({angle:[o.AngleSpec,0],width:[o.DistanceSpec],height:[o.DistanceSpec]})},e}(r.XYGlyph);i.Ellipse=a,a.initClass()},function(t,e,i){var n=t(379),r=t(9),o=t(15),s=t(24),a=t(33),l=t(49),h=t(48),c=t(53),u=t(14),_=t(22),p=t(32),d=t(44),f=t(120),v=t(165),m=function(e){function i(){var t=null!==e&&e.apply(this,arguments)||this;return t._nohit_warned={},t}return n.__extends(i,e),i.prototype.initialize=function(i){e.prototype.initialize.call(this,i),this._nohit_warned={},this.renderer=i.renderer,this.visuals=new l.Visuals(this.model);var n=this.renderer.plot_view.gl;if(null!=n){var r=null;try{r=t(440)}catch(t){if("MODULE_NOT_FOUND"!==t.code)throw t;u.logger.warn("WebGL was requested and is supported, but bokeh-gl(.min).js is not available, falling back to 2D rendering.")}if(null!=r){var o=r[this.model.type+"GLGlyph"];null!=o&&(this.glglyph=new o(n.ctx,this))}}},i.prototype.set_visuals=function(t){this.visuals.warm_cache(t),null!=this.glglyph&&this.glglyph.set_visuals_changed()},i.prototype.render=function(t,e,i){t.beginPath(),null!=this.glglyph&&this.glglyph.render(t,e,i)||this._render(t,e,i)},i.prototype.has_finished=function(){return!0},i.prototype.notify_finished=function(){this.renderer.notify_finished()},i.prototype._bounds=function(t){return t},i.prototype.bounds=function(){return this._bounds(this.index.bbox)},i.prototype.log_bounds=function(){for(var t=s.empty(),e=this.index.search(s.positive_x()),i=0,n=e;it.maxX&&(t.maxX=r.maxX)}for(var o=this.index.search(s.positive_y()),a=0,l=o;at.maxY&&(t.maxY=h.maxY)}return this._bounds(t)},i.prototype.get_anchor_point=function(t,e,i){var n=i[0],r=i[1];switch(t){case"center":return{x:this.scenterx(e,n,r),y:this.scentery(e,n,r)};default:return null}},i.prototype.sdist=function(t,e,i,n,r){void 0===n&&(n="edge"),void 0===r&&(r=!1);var o,s,a=e.length;if("center"==n){var l=_.map(i,function(t){return t/2});o=new Float64Array(a);for(var h=0;h0){n=this._image[e];var r=this._image_shape[e];this._height[e]=r[0],this._width[e]=r[1]}else{var o=this._image[e];n=a.concat(o),this._height[e]=o.length,this._width[e]=o[0].length}var s=this.image_data[e],l=void 0;null!=s&&s.width==this._width[e]&&s.height==this._height[e]?l=s:((l=document.createElement("canvas")).width=this._width[e],l.height=this._height[e]);var h=l.getContext("2d"),c=h.getImageData(0,0,this._width[e],this._height[e]),u=t.v_compute(n);c.data.set(u),h.putImageData(c,0,0),this.image_data[e]=l,this.max_dw=0,"data"==this.model.properties.dw.units&&(this.max_dw=a.max(this._dw)),this.max_dh=0,"data"==this.model.properties.dh.units&&(this.max_dh=a.max(this._dh))}},e.prototype._map_data=function(){switch(this.model.properties.dw.units){case"data":this.sw=this.sdist(this.renderer.xscale,this._x,this._dw,"edge",this.model.dilate);break;case"screen":this.sw=this._dw}switch(this.model.properties.dh.units){case"data":this.sh=this.sdist(this.renderer.yscale,this._y,this._dh,"edge",this.model.dilate);break;case"screen":this.sh=this._dh}},e.prototype._render=function(t,e,i){var n=i.image_data,r=i.sx,o=i.sy,s=i.sw,a=i.sh,l=t.getImageSmoothingEnabled();t.setImageSmoothingEnabled(!1),t.globalAlpha=this.model.global_alpha;for(var h=0,c=e;h0){n=this._image[e].buffer;var r=this._image_shape[e];this._height[e]=r[0],this._width[e]=r[1]}else{var o=this._image[e],a=s.concat(o);n=new ArrayBuffer(4*a.length);for(var l=new Uint32Array(n),h=0,c=a.length;h0?(o.logger.trace("ImageURL failed to load "+t._url[e]+" image, retrying in "+r+" ms"),setTimeout(function(){return a.src=t._url[e]},r)):o.logger.warn("ImageURL unable to load "+t._url[e]+" image after "+n+" retries"),t.retries[e]-=1},a.onload=function(){t.image[e]=a,t.renderer.request_render()},a.src=l._url[e]},l=this,h=0,c=this._url.length;h1&&(t.stroke(),o=!1)}o?t.lineTo(n[h],r[h]):(t.beginPath(),t.moveTo(n[h],r[h]),o=!0),s=h}o&&t.stroke()},e.prototype._hit_point=function(t){for(var e=this,i=s.create_empty_hit_test_result(),n={x:t.sx,y:t.sy},r=9999,o=Math.max(2,this.visuals.line.line_width.value()/2),a=0,l=this.sx.length-1;a0&&(l[h]=u)}return a.indices=s.keys(l).map(function(t){return parseInt(t,10)}),a.multiline_indices=l,a},e.prototype.get_interpolation_hit=function(t,e,i){var n,r,s,a,l=i.sx,h=i.sy,c=this._xs[t][e],u=this._ys[t][e],_=this._xs[t][e+1],p=this._ys[t][e+1];"point"==i.type?(m=this.renderer.yscale.r_invert(h-1,h+1),s=m[0],a=m[1],g=this.renderer.xscale.r_invert(l-1,l+1),n=g[0],r=g[1]):"v"==i.direction?(y=this.renderer.yscale.r_invert(h,h),s=y[0],a=y[1],n=(b=[c,_])[0],r=b[1]):(x=this.renderer.xscale.r_invert(l,l),n=x[0],r=x[1],s=(w=[u,p])[0],a=w[1]);var d=o.check_2_segments_intersect(n,s,r,a,c,u,_,p),f=d.x,v=d.y;return[f,v];var m,g,y,b,x,w},e.prototype.draw_legend_for_index=function(t,e,i){c.generic_line_legend(this.visuals,t,e,i)},e.prototype.scenterx=function(){throw new Error("not implemented")},e.prototype.scentery=function(){throw new Error("not implemented")},e}(h.GlyphView);i.MultiLineView=u;var _=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="MultiLine",this.prototype.default_view=u,this.coords([["xs","ys"]]),this.mixins(["line"])},e}(h.Glyph);i.MultiLine=_,_.initClass()},function(t,e,i){var n=t(379),r=t(135),o=t(15),s=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype._set_data=function(){this.max_w2=0,"data"==this.model.properties.width.units&&(this.max_w2=this.max_width/2),this.max_h2=0,"data"==this.model.properties.height.units&&(this.max_h2=this.max_height/2)},e.prototype._map_data=function(){"data"==this.model.properties.width.units?this.sw=this.sdist(this.renderer.xscale,this._x,this._width,"center"):this.sw=this._width,"data"==this.model.properties.height.units?this.sh=this.sdist(this.renderer.yscale,this._y,this._height,"center"):this.sh=this._height},e.prototype._render=function(t,e,i){for(var n=i.sx,r=i.sy,o=i.sw,s=i.sh,a=i._angle,l=0,h=e;l1?(_[i]=u,p[i]=u/c):(_[i]=u*c,p[i]=u),this._render(t,[i],{sx:l,sy:h,sw:_,sh:p})},e.prototype._bounds=function(t){var e=t.minX,i=t.maxX,n=t.minY,r=t.maxY;return{minX:e-this.max_w2,maxX:i+this.max_w2,minY:n-this.max_h2,maxY:r+this.max_h2}},e}(r.XYGlyphView);i.OvalView=s;var a=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="Oval",this.prototype.default_view=s,this.mixins(["line","fill"]),this.define({angle:[o.AngleSpec,0],width:[o.DistanceSpec],height:[o.DistanceSpec]})},e}(r.XYGlyph);i.Oval=a,a.initClass()},function(t,e,i){var n=t(379),r=t(135),o=t(132),s=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype._render=function(t,e,i){var n=i.sx,r=i.sy;if(this.visuals.fill.doit){this.visuals.fill.set_value(t);for(var o=0,s=e;o0;){var o=a.findLastIndex(r,function(t){return h.isStrictNaN(t)}),s=void 0;o>=0?s=r.splice(o):(s=r,r=[]);var l=s.filter(function(t){return!h.isStrictNaN(t)});e[i].push(l)}}return e},e.prototype._index_data=function(){for(var t=this._build_discontinuous_object(this._xs),e=this._build_discontinuous_object(this._ys),i=[],n=0,o=this._xs.length;n=0,x=i-this.sy1[a]<=this.sh[a]&&i-this.sy1[a]>=0;x&&w&&m.push(a)}var A=s.create_empty_hit_test_result();return A.indices=m,A},e.prototype._map_dist_corner_for_data_side_length=function(t,e,i){for(var n=t.length,r=new Float64Array(n),o=new Float64Array(n),s=0;so[1]&&(e=o[1]);else{t=o[0],e=o[1];for(var s=0,l=this.plot.select(r.Axis);s1?y[1]:"",w=this._horizontal?"row":"col";g=b+" "+w+"-"+o+"-"+a+"-"+x}else g=v;s[g]=g in s?s[g].concat(m):m}a++}return s},e.prototype._align_inner_cell_edges_constraints=function(){var t=[];if(null!=this.document&&s.includes(this.document.roots(),this)){var e=this._flatten_cell_edge_variables(this._horizontal);for(var i in e){var n=e[i];if(n.length>1)for(var o=n[0],a=1;a0)if(this._horizontal==t){var r=i[0],o=i[i.length-1];r instanceof e?n[0]=n[0].concat(r._find_edge_leaves(t)[0]):n[0].push(r),o instanceof e?n[1]=n[1].concat(o._find_edge_leaves(t)[1]):n[1].push(o)}else for(var s=0,a=i;s1)for(var e=t[0],i=1;i0?this.model._width.value-20+"px":"100%",this.el.style.width=i}},e.prototype.get_height=function(){var t=0;for(var e in this.child_views){var i=this.child_views[e],n=i.el,r=getComputedStyle(n),o=parseInt(r.marginTop)||0,s=parseInt(r.marginBottom)||0;t+=n.offsetHeight+o+s}return t+20},e.prototype.get_width=function(){if(null!=this.model.width)return this.model.width;var t=this.el.scrollWidth+20;for(var e in this.child_views){var i=this.child_views[e],n=i.el.scrollWidth;n>t&&(t=n)}return t},e}(a.LayoutDOMView);i.WidgetBoxView=l;var h=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="WidgetBox",this.prototype.default_view=l,this.define({children:[o.Array,[]]})},e.prototype.initialize=function(){t.prototype.initialize.call(this),"fixed"==this.sizing_mode&&null==this.width&&(this.width=300,r.logger.info("WidgetBox mode is fixed, but no width specified. Using default of 300."))},e.prototype.get_constrained_variables=function(){var e=s.extend({},t.prototype.get_constrained_variables.call(this),{on_edge_align_top:this._top,on_edge_align_bottom:this._height_minus_bottom,on_edge_align_left:this._left,on_edge_align_right:this._width_minus_right,box_cell_align_top:this._top,box_cell_align_bottom:this._height_minus_bottom,box_cell_align_left:this._left,box_cell_align_right:this._width_minus_right,box_equal_size_top:this._top,box_equal_size_bottom:this._height_minus_bottom});return"fixed"!=this.sizing_mode&&(e.box_equal_size_left=this._left,e.box_equal_size_right=this._width_minus_right),e},e.prototype.get_layoutable_children=function(){return this.children},e}(a.LayoutDOM);i.WidgetBox=h,h.initClass()},function(t,e,i){var n=t(379),r=t(151),o=t(15),s=t(21),a=t(44),l=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="CategoricalColorMapper",this.define({factors:[o.Array],start:[o.Number,0],end:[o.Number]})},e.prototype._v_compute=function(t,e,i,n){for(var r=n.nan_color,o=function(n,o){var h=t[n],c=void 0;a.isString(h)?c=l.factors.indexOf(h):(null!=l.start?h=null!=l.end?h.slice(l.start,l.end):h.slice(l.start):null!=l.end&&(h=h.slice(0,l.end)),c=1==h.length?l.factors.indexOf(h[0]):s.findIndex(l.factors,function(t){return function(t,e){if(t.length!=e.length)return!1;for(var i=0,n=t.length;i=i.length?r:i[c],e[n]=u},l=this,h=0,c=t.length;hc?null!=a?a:i[c]:i[m]}else e[p]=i[c]}},e}(r.ContinuousColorMapper);i.LinearColorMapper=s,s.initClass()},function(t,e,i){var n=t(379),r=t(152),o=t(22),s=null!=Math.log1p?Math.log1p:function(t){return Math.log(1+t)},a=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="LogColorMapper"},e.prototype._v_compute=function(t,e,i,n){for(var r=n.nan_color,a=n.low_color,l=n.high_color,h=i.length,c=null!=this.low?this.low:o.min(t),u=null!=this.high?this.high:o.max(t),_=h/(s(u)-s(c)),p=i.length-1,d=0,f=t.length;du)e[d]=null!=l?l:i[p];else if(v!=u)if(vp&&(g=p),e[d]=i[g]}else e[d]=i[p]}},e}(r.ContinuousColorMapper);i.LogColorMapper=a,a.initClass()},function(t,e,i){function n(t,e){t.moveTo(-e,e),t.lineTo(e,-e),t.moveTo(-e,-e),t.lineTo(e,e)}function r(t,e){t.moveTo(0,e),t.lineTo(0,-e),t.moveTo(-e,0),t.lineTo(e,0)}function o(t,e){t.moveTo(0,e),t.lineTo(e/1.5,0),t.lineTo(0,-e),t.lineTo(-e/1.5,0),t.closePath()}function s(t,e){var i=e*c,n=i/3;t.moveTo(-e,n),t.lineTo(e,n),t.lineTo(0,n-i),t.closePath()}function a(t,e){var i=function(t){function i(){return null!==t&&t.apply(this,arguments)||this}return l.__extends(i,t),i.initClass=function(){this.prototype._render_one=e},i}(h.MarkerView);i.initClass();var n=function(e){function n(){return null!==e&&e.apply(this,arguments)||this}return l.__extends(n,e),n.initClass=function(){this.prototype.default_view=i,this.prototype.type=t},n}(h.Marker);return n.initClass(),n}var l=t(379),h=t(157),c=Math.sqrt(3);i.Asterisk=a("Asterisk",function(t,e,i,o,s){var a=.65*i;r(t,i),n(t,a),o.doit&&(o.set_vectorize(t,e),t.stroke())}),i.CircleCross=a("CircleCross",function(t,e,i,n,o){t.arc(0,0,i,0,2*Math.PI,!1),o.doit&&(o.set_vectorize(t,e),t.fill());n.doit&&(n.set_vectorize(t,e),r(t,i),t.stroke())}),i.CircleX=a("CircleX",function(t,e,i,r,o){t.arc(0,0,i,0,2*Math.PI,!1),o.doit&&(o.set_vectorize(t,e),t.fill());r.doit&&(r.set_vectorize(t,e),n(t,i),t.stroke())}),i.Cross=a("Cross",function(t,e,i,n,o){r(t,i),n.doit&&(n.set_vectorize(t,e),t.stroke())}),i.Diamond=a("Diamond",function(t,e,i,n,r){o(t,i),r.doit&&(r.set_vectorize(t,e),t.fill());n.doit&&(n.set_vectorize(t,e),t.stroke())}),i.DiamondCross=a("DiamondCross",function(t,e,i,n,s){o(t,i),s.doit&&(s.set_vectorize(t,e),t.fill());n.doit&&(n.set_vectorize(t,e),r(t,i),t.stroke())}),i.Hex=a("Hex",function(t,e,i,n,r){(function(t,e){var i=e/2,n=c*i;t.moveTo(e,0),t.lineTo(i,-n),t.lineTo(-i,-n),t.lineTo(-e,0),t.lineTo(-i,n),t.lineTo(i,n),t.closePath()})(t,i),r.doit&&(r.set_vectorize(t,e),t.fill());n.doit&&(n.set_vectorize(t,e),t.stroke())}),i.InvertedTriangle=a("InvertedTriangle",function(t,e,i,n,r){t.rotate(Math.PI),s(t,i),t.rotate(-Math.PI),r.doit&&(r.set_vectorize(t,e),t.fill());n.doit&&(n.set_vectorize(t,e),t.stroke())}),i.Square=a("Square",function(t,e,i,n,r){var o=2*i;t.rect(-i,-i,o,o),r.doit&&(r.set_vectorize(t,e),t.fill());n.doit&&(n.set_vectorize(t,e),t.stroke())}),i.SquareCross=a("SquareCross",function(t,e,i,n,o){var s=2*i;t.rect(-i,-i,s,s),o.doit&&(o.set_vectorize(t,e),t.fill());n.doit&&(n.set_vectorize(t,e),r(t,i),t.stroke())}),i.SquareX=a("SquareX",function(t,e,i,r,o){var s=2*i;t.rect(-i,-i,s,s),o.doit&&(o.set_vectorize(t,e),t.fill());r.doit&&(r.set_vectorize(t,e),n(t,i),t.stroke())}),i.Triangle=a("Triangle",function(t,e,i,n,r){s(t,i),r.doit&&(r.set_vectorize(t,e),t.fill());n.doit&&(n.set_vectorize(t,e),t.stroke())}),i.X=a("X",function(t,e,i,r,o){n(t,i),r.doit&&(r.set_vectorize(t,e),t.stroke())})},function(t,e,i){var n=t(379),r=t(135),o=t(9),s=t(15),a=t(21),l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype._render=function(t,e,i){for(var n=i.sx,r=i.sy,o=i._size,s=i._angle,a=0,l=e;a=2){this.map.setZoom(r);var o=this._get_projected_bounds(),s=o[0],a=o[1];a-s<0&&this.map.setZoom(n)}this.unpause()}this._set_bokeh_ranges()},e.prototype._build_map=function(){var t=this,e=google.maps;this.map_types={satellite:e.MapTypeId.SATELLITE,terrain:e.MapTypeId.TERRAIN,roadmap:e.MapTypeId.ROADMAP,hybrid:e.MapTypeId.HYBRID};var i=this.model.plot.map_options,n={center:new e.LatLng(i.lat,i.lng),zoom:i.zoom,disableDefaultUI:!0,mapTypeId:this.map_types[i.map_type],scaleControl:i.scale_control};null!=i.styles&&(n.styles=JSON.parse(i.styles)),this.map=new e.Map(this.canvas_view.map_el,n),e.event.addListener(this.map,"idle",function(){return t._set_bokeh_ranges()}),e.event.addListener(this.map,"bounds_changed",function(){return t._set_bokeh_ranges()}),e.event.addListenerOnce(this.map,"tilesloaded",function(){return t._render_finished()}),this.connect(this.model.plot.properties.map_options.change,function(){return t._update_options()}),this.connect(this.model.plot.map_options.properties.styles.change,function(){return t._update_styles()}),this.connect(this.model.plot.map_options.properties.lat.change,function(){return t._update_center("lat")}),this.connect(this.model.plot.map_options.properties.lng.change,function(){return t._update_center("lng")}),this.connect(this.model.plot.map_options.properties.zoom.change,function(){return t._update_zoom()}),this.connect(this.model.plot.map_options.properties.map_type.change,function(){return t._update_map_type()}),this.connect(this.model.plot.map_options.properties.scale_control.change,function(){return t._update_scale_control()})},e.prototype._render_finished=function(){this._tiles_loaded=!0,this.notify_finished()},e.prototype.has_finished=function(){return t.prototype.has_finished.call(this)&&!0===this._tiles_loaded},e.prototype._get_latlon_bounds=function(){var t=this.map.getBounds(),e=t.getNorthEast(),i=t.getSouthWest(),n=i.lng(),r=e.lng(),o=i.lat(),s=e.lat();return[n,r,o,s]},e.prototype._get_projected_bounds=function(){var t=this._get_latlon_bounds(),e=t[0],i=t[1],n=t[2],r=t[3],s=o.wgs84_mercator.forward([e,n]),a=s[0],l=s[1],h=o.wgs84_mercator.forward([i,r]),c=h[0],u=h[1];return[a,c,l,u]},e.prototype._set_bokeh_ranges=function(){var t=this._get_projected_bounds(),e=t[0],i=t[1],n=t[2],r=t[3];this.frame.x_range.setv({start:e,end:i}),this.frame.y_range.setv({start:n,end:r})},e.prototype._update_center=function(t){var e=this.map.getCenter().toJSON();e[t]=this.model.plot.map_options[t],this.map.setCenter(e),this._set_bokeh_ranges()},e.prototype._update_map_type=function(){this.map.setOptions({mapTypeId:this.map_types[this.model.plot.map_options.map_type]})},e.prototype._update_scale_control=function(){this.map.setOptions({scaleControl:this.model.plot.map_options.scale_control})},e.prototype._update_options=function(){this._update_styles(),this._update_center("lat"),this._update_center("lng"),this._update_zoom(),this._update_map_type()},e.prototype._update_styles=function(){this.map.setOptions({styles:JSON.parse(this.model.plot.map_options.styles)})},e.prototype._update_zoom=function(){this.map.setOptions({zoom:this.model.plot.map_options.zoom}),this._set_bokeh_ranges()},e.prototype._map_hook=function(t,e){var i=e[0],n=e[1],r=e[2],o=e[3];this.canvas_view.map_el.style.top=n+"px",this.canvas_view.map_el.style.left=i+"px",this.canvas_view.map_el.style.width=r+"px",this.canvas_view.map_el.style.height=o+"px",null==this.map&&"undefined"!=typeof google&&null!=google.maps&&this._build_map()},e.prototype._paint_empty=function(t,e){var i=this.canvas._width.value,n=this.canvas._height.value,r=e[0],o=e[1],s=e[2],a=e[3];t.clearRect(0,0,i,n),t.beginPath(),t.moveTo(0,0),t.lineTo(0,n),t.lineTo(i,n),t.lineTo(i,0),t.lineTo(0,0),t.moveTo(r,o),t.lineTo(r+s,o),t.lineTo(r+s,o+a),t.lineTo(r,o+a),t.lineTo(r,o),t.closePath(),t.fillStyle=this.model.plot.border_fill_color,t.fill()},e}(s.PlotCanvasView);i.GMapPlotCanvasView=l;var h=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="GMapPlotCanvas",this.prototype.default_view=l},e.prototype.initialize=function(){this.use_map=!0,t.prototype.initialize.call(this)},e}(s.PlotCanvas);i.GMapPlotCanvas=h,h.initClass()},function(t,e,i){var n=t(158);i.MapOptions=n.MapOptions;var r=t(158);i.GMapOptions=r.GMapOptions;var o=t(158);i.GMapPlot=o.GMapPlot;var s=t(159);i.GMapPlotCanvas=s.GMapPlotCanvas;var a=t(161);i.Plot=a.Plot;var l=t(162);i.PlotCanvas=l.PlotCanvas},function(t,e,i){var n=t(379),r=t(13),o=t(14),s=t(15),a=t(21),l=t(32),h=t(44),c=t(146),u=t(68),_=t(176),p=t(247),d=t(69),f=t(162),v=t(184),m=t(169),g=t(3),y=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype.connect_signals=function(){t.prototype.connect_signals.call(this);this.connect(this.model.properties.title.change,function(){return o.logger.warn("Title object cannot be replaced. Try changing properties on title to update it after initialization.")})},e.prototype.css_classes=function(){return t.prototype.css_classes.call(this).concat("bk-plot-layout")},e.prototype.get_height=function(){return this.model._width.value/this.model.get_aspect_ratio()},e.prototype.get_width=function(){return this.model._height.value*this.model.get_aspect_ratio()},e.prototype.save=function(t){this.plot_canvas_view.save(t)},Object.defineProperty(e.prototype,"plot_canvas_view",{get:function(){return this.child_views[this.model.plot_canvas.id]},enumerable:!0,configurable:!0}),e}(c.LayoutDOMView);i.PlotView=y;var b=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="Plot",this.prototype.default_view=y,this.mixins(["line:outline_","fill:background_","fill:border_"]),this.define({toolbar:[s.Instance,function(){return new p.Toolbar}],toolbar_location:[s.Location,"right"],toolbar_sticky:[s.Boolean,!0],plot_width:[s.Number,600],plot_height:[s.Number,600],title:[s.Any,function(){return new u.Title({text:""})}],title_location:[s.Location,"above"],h_symmetry:[s.Bool,!0],v_symmetry:[s.Bool,!1],above:[s.Array,[]],below:[s.Array,[]],left:[s.Array,[]],right:[s.Array,[]],renderers:[s.Array,[]],x_range:[s.Instance],extra_x_ranges:[s.Any,{}],y_range:[s.Instance],extra_y_ranges:[s.Any,{}],x_scale:[s.Instance,function(){return new _.LinearScale}],y_scale:[s.Instance,function(){return new _.LinearScale}],lod_factor:[s.Number,10],lod_interval:[s.Number,300],lod_threshold:[s.Number,2e3],lod_timeout:[s.Number,500],hidpi:[s.Bool,!0],output_backend:[s.OutputBackend,"canvas"],min_border:[s.Number,5],min_border_top:[s.Number,null],min_border_left:[s.Number,null],min_border_bottom:[s.Number,null],min_border_right:[s.Number,null],inner_width:[s.Number],inner_height:[s.Number],layout_width:[s.Number],layout_height:[s.Number],match_aspect:[s.Bool,!1],aspect_scale:[s.Number,1]}),this.override({outline_line_color:"#e5e5e5",border_fill_color:"#ffffff",background_fill_color:"#ffffff"}),g.register_with_event(g.UIEvent,this)},e.prototype.initialize=function(){t.prototype.initialize.call(this);for(var e=0,i=l.values(this.extra_x_ranges).concat(this.x_range);el.end;if(!i){var u=this._get_weight_to_constrain_interval(l,h);u<1&&(h.start=u*h.start+(1-u)*l.start,h.end=u*h.end+(1-u)*l.end)}if(null!=l.bounds&&"auto"!=l.bounds){var _=l.bounds,p=_[0],d=_[1],f=Math.abs(h.end-h.start);c?(null!=p&&p>=h.end&&(r=!0,h.end=p,(e||i)&&(h.start=p+f)),null!=d&&d<=h.start&&(r=!0,h.start=d,(e||i)&&(h.end=d-f))):(null!=p&&p>=h.start&&(r=!0,h.start=p,(e||i)&&(h.end=p+f)),null!=d&&d<=h.end&&(r=!0,h.end=d,(e||i)&&(h.start=d-f)))}}if(!(i&&r&&n))for(var v=0,m=t;v0&&c0&&c>n&&(l=(n-h)/(c-h)),l=Math.max(0,Math.min(1,l))}return l},e.prototype.update_range=function(t,e,i,n){void 0===e&&(e=!1),void 0===i&&(i=!1),void 0===n&&(n=!0),this.pause();var r=this.frame,o=r.x_ranges,s=r.y_ranges;if(null==t){for(var a in o){var l=o[a];l.reset()}for(var h in s){var l=s[h];l.reset()}this.update_dataranges()}else{var c=[];for(var u in o){var l=o[u];c.push([l,t.xrs[u]])}for(var _ in s){var l=s[_];c.push([l,t.yrs[_]])}i&&this._update_ranges_together(c),this._update_ranges_individually(c,e,i,n)}this.unpause()},e.prototype.reset_range=function(){this.update_range(null)},e.prototype.build_levels=function(){for(var t=this.model.plot.all_renderers,e=k.keys(this.renderer_views),i=c.build_views(this.renderer_views,t,this.view_options()),n=w.difference(e,t.map(function(t){return t.id})),r=0,o=n;r=0&&in.lod_timeout&&e.interactive_stop(n),t.request_render()},n.lod_timeout):e.interactive_stop(n)}for(var r in this.renderer_views){var o=this.renderer_views[r];if(null==this.range_update_timestamp||o instanceof a.GlyphRendererView&&o.set_data_timestamp>this.range_update_timestamp){this.update_dataranges();break}}this.model.frame.update_scales();var s=this.canvas_view.ctx,l=this.canvas.pixel_ratio;s.save(),s.scale(l,l),s.translate(.5,.5);var h=[this.frame._left.value,this.frame._top.value,this.frame._width.value,this.frame._height.value];if(this._map_hook(s,h),this._paint_empty(s,h),this.prepare_webgl(l,h),s.save(),this.visuals.outline_line.doit){this.visuals.outline_line.set_value(s);var c=h[0],u=h[1],_=h[2],p=h[3];c+_==this.canvas._width.value&&(_-=1),u+p==this.canvas._height.value&&(p-=1),s.strokeRect(c,u,_,p)}s.restore(),this._paint_levels(s,["image","underlay","glyph"],h),this.blit_webgl(l),this._paint_levels(s,["annotation"],h),this._paint_levels(s,["overlay"]),null==this._initial_state_info.range&&this.set_initial_range(),s.restore(),this._has_finished||(this._has_finished=!0,this.notify_finished())}},e.prototype._paint_levels=function(t,e,i){t.save(),null!=i&&(t.beginPath(),t.rect.apply(t,i),t.clip());for(var n={},r=0;r0&&(e=e.filter(function(e){return h.includes(t,e.name)})),s.logger.debug("computed "+e.length+" renderers for DataRange1d "+this.id);for(var l=0,c=e;lu&&("start"==this.follow?n=i+c*u:"end"==this.follow&&(i=n-c*u)),[i,n];var _},e.prototype.update=function(t,e,i,n){if(!this.have_updated_interactively){var r=this.computed_renderers(),o=this._compute_plot_bounds(r,t);null!=n&&(o=this.adjust_bounds_for_aspect(o,n)),this._plot_bounds[i]=o;var s=this._compute_min_max(this._plot_bounds,e),a=s[0],l=s[1],h=this._compute_range(a,l),c=h[0],u=h[1];null!=this._initial_start&&("log"==this.scale_hint?this._initial_start>0&&(c=this._initial_start):c=this._initial_start),null!=this._initial_end&&("log"==this.scale_hint?this._initial_end>0&&(u=this._initial_end):u=this._initial_end);var _=[this.start,this.end],p=_[0],d=_[1];if(c!=p||u!=d){var f={};c!=p&&(f.start=c),u!=d&&(f.end=u),this.setv(f)}"auto"==this.bounds&&this.setv({bounds:[c,u]},{silent:!0}),this.change.emit()}},e.prototype.reset=function(){this.have_updated_interactively=!1,this.setv({range_padding:this._initial_range_padding,range_padding_units:this._initial_range_padding_units,follow:this._initial_follow,follow_interval:this._initial_follow_interval,default_span:this._initial_default_span},{silent:!0}),this.change.emit()},e}(r.DataRange);i.DataRange1d=c,c.initClass()},function(t,e,i){function n(t,e,i){void 0===i&&(i=0);for(var n={},r=0;rthis.end},enumerable:!0,configurable:!0}),e.prototype.reset=function(){this._set_auto_bounds(),this.start!=this._initial_start||this.end!=this._initial_end?this.setv({start:this._initial_start,end:this._initial_end}):this.change.emit()},e}(r.Range);i.Range1d=s,s.initClass()},function(t,e,i){var n=t(379),r=t(173),o=t(120),s=t(189),a=t(183),l=t(14),h=t(15),c=t(22),u=t(21),_=t(32),p=t(165),d={fill:{},line:{}},f={fill:{fill_alpha:.3,fill_color:"grey"},line:{line_alpha:.3,line_color:"grey"}},v={fill:{fill_alpha:.2},line:{}},m=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype.initialize=function(e){function i(t){var e=_.clone(a);return r&&_.extend(e,t.fill),o&&_.extend(e,t.line),new n.constructor(e)}t.prototype.initialize.call(this,e);var n=this.model.glyph,r=u.includes(n.mixins,"fill"),o=u.includes(n.mixins,"line"),a=_.clone(n.attributes);delete a.id,this.glyph=this.build_glyph_view(n);var l=this.model.selection_glyph;null==l?l=i({fill:{},line:{}}):"auto"===l&&(l=i(d)),this.selection_glyph=this.build_glyph_view(l);var h=this.model.nonselection_glyph;null==h?h=i({fill:{},line:{}}):"auto"===h&&(h=i(v)),this.nonselection_glyph=this.build_glyph_view(h);var c=this.model.hover_glyph;null!=c&&(this.hover_glyph=this.build_glyph_view(c));var p=this.model.muted_glyph;null!=p&&(this.muted_glyph=this.build_glyph_view(p));var m=i(f);this.decimated_glyph=this.build_glyph_view(m),this.xscale=this.plot_view.frame.xscales[this.model.x_range_name],this.yscale=this.plot_view.frame.yscales[this.model.y_range_name],this.set_data(!1),this.model.data_source instanceof s.RemoteDataSource&&this.model.data_source.setup()},e.prototype.build_glyph_view=function(t){return new t.default_view({model:t,renderer:this,plot_view:this.plot_view,parent:this})},e.prototype.connect_signals=function(){var e=this;t.prototype.connect_signals.call(this),this.connect(this.model.change,function(){return e.request_render()}),this.connect(this.model.glyph.change,function(){return e.set_data()}),this.connect(this.model.data_source.change,function(){return e.set_data()}),this.connect(this.model.data_source.streaming,function(){return e.set_data()}),this.connect(this.model.data_source.patching,function(t){return e.set_data(!0,t)}),this.connect(this.model.data_source._select,function(){return e.request_render()}),null!=this.hover_glyph&&this.connect(this.model.data_source.inspect,function(){return e.request_render()}),this.connect(this.model.properties.view.change,function(){return e.set_data()}),this.connect(this.model.view.change,function(){return e.set_data()});var i=this.plot_model.frame,n=i.x_ranges,r=i.y_ranges;for(var o in n){var s=n[o];s instanceof p.FactorRange&&this.connect(s.change,function(){return e.set_data()})}for(var a in r){var s=r[a];s instanceof p.FactorRange&&this.connect(s.change,function(){return e.set_data()})}this.connect(this.model.glyph.transformchange,function(){return e.set_data()})},e.prototype.have_selection_glyphs=function(){return null!=this.selection_glyph&&null!=this.nonselection_glyph},e.prototype.set_data=function(t,e){void 0===t&&(t=!0),void 0===e&&(e=null);var i=Date.now(),n=this.model.data_source;this.all_indices=this.model.view.indices,this.glyph.model.setv({x_range_name:this.model.x_range_name,y_range_name:this.model.y_range_name},{silent:!0}),this.glyph.set_data(n,this.all_indices,e),this.glyph.set_visuals(n),this.decimated_glyph.set_visuals(n),this.have_selection_glyphs()&&(this.selection_glyph.set_visuals(n),this.nonselection_glyph.set_visuals(n)),null!=this.hover_glyph&&this.hover_glyph.set_visuals(n),null!=this.muted_glyph&&this.muted_glyph.set_visuals(n);var r=this.plot_model.plot.lod_factor;this.decimated=[];for(var o=0,s=Math.floor(this.all_indices.length/r);o0?d["1d"].indices:function(){for(var t=[],e=0,i=Object.keys(d["2d"].indices);e0&&!i&&null!=y&&this.all_indices.length>y?(s=this.decimated,f=this.decimated_glyph,v=this.decimated_glyph,m=this.selection_glyph):(f=this.model.muted&&null!=this.muted_glyph?this.muted_glyph:this.glyph,v=this.nonselection_glyph,m=this.selection_glyph),null!=this.hover_glyph&&g.length&&(s=u.difference(s,g));var b,x=null;if(c.length&&this.have_selection_glyphs()){for(var w=Date.now(),k={},S=0,C=c;S0){for(var a=i[0],l=0,h=i;l0){for(var a=i[0],l=0,h=i;l0?this.selected_glyphs[0]:null},enumerable:!0,configurable:!0}),e.prototype.add_to_selected_glyphs=function(t){this.selected_glyphs.push(t)},e.prototype.update=function(t,e,i){this.final=e,i?this.update_through_union(t):(this.indices=t.indices,this.line_indices=t.line_indices,this.selected_glyphs=t.selected_glyphs,this.get_view=t.get_view,this.multiline_indices=t.multiline_indices)},e.prototype.clear=function(){this.final=!0,this.indices=[],this.line_indices=[],this.multiline_indices={},this.get_view=function(){return null},this.selected_glyphs=[]},e.prototype.is_empty=function(){return 0==this.indices.length&&0==this.line_indices.length},e.prototype.update_through_union=function(t){this.indices=s.union(t.indices,this.indices),this.selected_glyphs=s.union(t.selected_glyphs,this.selected_glyphs),this.line_indices=s.union(t.line_indices,this.line_indices),this.get_view()||(this.get_view=t.get_view),this.multiline_indices=a.merge(t.multiline_indices,this.multiline_indices)},e.prototype.update_through_intersection=function(t){this.indices=s.intersection(t.indices,this.indices),this.selected_glyphs=s.union(t.selected_glyphs,this.selected_glyphs),this.line_indices=s.union(t.line_indices,this.line_indices),this.get_view()||(this.get_view=t.get_view),this.multiline_indices=a.merge(t.multiline_indices,this.multiline_indices)},e}(r.Model);i.Selection=l,l.initClass()},function(t,e,i){var n=t(379),r=t(189),o=t(14),s=t(15),a=function(t){function e(e){var i=t.call(this,e)||this;return i.initialized=!1,i}return n.__extends(e,t),e.initClass=function(){this.prototype.type="AjaxDataSource",this.define({mode:[s.String,"replace"],content_type:[s.String,"application/json"],http_headers:[s.Any,{}],max_size:[s.Number],method:[s.String,"POST"],if_modified:[s.Bool,!1]})},e.prototype.destroy=function(){null!=this.interval&&clearInterval(this.interval),t.prototype.destroy.call(this)},e.prototype.setup=function(){var t=this;if(!this.initialized&&(this.initialized=!0,this.get_data(this.mode),this.polling_interval)){var e=function(){return t.get_data(t.mode,t.max_size,t.if_modified)};this.interval=setInterval(e,this.polling_interval)}},e.prototype.get_data=function(t,e,i){var n=this;void 0===e&&(e=0),void 0===i&&(i=!1);var r=this.prepare_request();r.addEventListener("load",function(){return n.do_load(r,t,e)}),r.addEventListener("error",function(){return n.do_error(r)}),r.send()},e.prototype.prepare_request=function(){var t=new XMLHttpRequest;t.open(this.method,this.data_url,!0),t.withCredentials=!1,t.setRequestHeader("Content-Type",this.content_type);var e=this.http_headers;for(var i in e){var n=e[i];t.setRequestHeader(i,n)}return t},e.prototype.do_load=function(t,e,i){if(200===t.status){var n=JSON.parse(t.responseText);switch(e){case"replace":this.data=n;break;case"append":for(var r=this.data,o=0,s=this.columns();o0?this.indices=a.intersection.apply(this,e):this.source instanceof l.ColumnarDataSource&&(this.indices=this.source.get_indices()),this.indices_map_to_subset()},e.prototype.indices_map_to_subset=function(){this.indices_map={};for(var t=0;ti?n.slice(-i):n}if(_.isTypedArray(t)){var r=t.length+e.length;if(null!=i&&r>i){var o=r-i,s=t.length,n=void 0;t.length1&&o.logger.warn("Bokeh does not support Polygons with holes in, only exterior ring used.");for(var p=t.coordinates[0],u=0;u1&&o.logger.warn("Bokeh does not support Polygons with holes in, only exterior ring used."),v.push(y[0])}for(var c=v.reduce(r),u=0;ui&&l0&&h.length>0){for(var _=r/c,p=s.range(0,c).map(function(t){return t*_}),d=0,f=p.slice(1);d1?this.interval=(e[1]-e[0])*o.ONE_DAY:this.interval=31*o.ONE_DAY},e.prototype.get_ticks_no_defaults=function(t,e,i,n){var r=function(t,e){var i=o.last_month_no_later_than(new Date(t)),n=o.last_month_no_later_than(new Date(e));n.setUTCMonth(n.getUTCMonth()+1);var r=[],s=i;for(;r.push(o.copy_date(s)),s.setUTCMonth(s.getUTCMonth()+1),!(s>n););return r}(t,e),s=this.days,l=this.interval,h=a.concat(r.map(function(t){return function(t,e){for(var i=[],n=0,r=s;n0&&o.length>0){for(var f=_/s,v=r.range(0,s).map(function(t){return t*f}),m=0,g=v.slice(1);m0&&o.length>0){for(var E=Math.pow(l,A)/s,v=r.range(1,s+1).map(function(t){return t*E}),M=0,O=v;M1?this.interval=(e[1]-e[0])*o.ONE_MONTH:this.interval=12*o.ONE_MONTH},e.prototype.get_ticks_no_defaults=function(t,e,i,n){var r=function(t,e){var i=o.last_year_no_later_than(new Date(t)),n=o.last_year_no_later_than(new Date(e));n.setUTCFullYear(n.getUTCFullYear()+1);var r=[],s=i;for(;r.push(o.copy_date(s)),s.setUTCFullYear(s.getUTCFullYear()+1),!(s>n););return r}(t,e),s=this.months,l=a.concat(r.map(function(t){return s.map(function(e){var i=o.copy_date(t);return i.setUTCMonth(e),i})})),h=l.map(function(t){return t.getTime()}),c=h.filter(function(i){return t<=i&&i<=e});return{major:c,minor:[]}},e}(r.SingleIntervalTicker);i.MonthsTicker=l,l.initClass()},function(t,e,i){var n=t(379),r=t(194),o=t(15),s=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="SingleIntervalTicker",this.define({interval:[o.Number]})},e.prototype.get_interval=function(t,e,i){return this.interval},Object.defineProperty(e.prototype,"min_interval",{get:function(){return this.interval},enumerable:!0,configurable:!0}),Object.defineProperty(e.prototype,"max_interval",{get:function(){return this.interval},enumerable:!0,configurable:!0}),e}(r.ContinuousTicker);i.SingleIntervalTicker=s,s.initClass()},function(t,e,i){var n=t(379),r=t(53),o=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="Ticker"},e}(r.Model);i.Ticker=o,o.initClass()},function(t,e,i){function n(t){return new Date(t.getTime())}function r(t){var e=n(t);return e.setUTCDate(1),e.setUTCHours(0),e.setUTCMinutes(0),e.setUTCSeconds(0),e.setUTCMilliseconds(0),e}i.ONE_MILLI=1,i.ONE_SECOND=1e3,i.ONE_MINUTE=60*i.ONE_SECOND,i.ONE_HOUR=60*i.ONE_MINUTE,i.ONE_DAY=24*i.ONE_HOUR,i.ONE_MONTH=30*i.ONE_DAY,i.ONE_YEAR=365*i.ONE_DAY,i.copy_date=n,i.last_month_no_later_than=r,i.last_year_no_later_than=function(t){var e=r(t);return e.setUTCMonth(0),e}},function(t,e,i){var n=t(379),r=t(191),o=t(202),s=t(204),a=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="YearsTicker"},e.prototype.initialize=function(){t.prototype.initialize.call(this),this.interval=s.ONE_YEAR,this.basic_ticker=new r.BasicTicker({num_minor_ticks:0})},e.prototype.get_ticks_no_defaults=function(t,e,i,n){var r=s.last_year_no_later_than(new Date(t)).getUTCFullYear(),o=s.last_year_no_later_than(new Date(e)).getUTCFullYear(),a=this.basic_ticker.get_ticks_no_defaults(r,o,i,n).major,l=a.map(function(t){return Date.UTC(t,0,1)}),h=l.filter(function(i){return t<=i&&i<=e});return{major:h,minor:[]}},e}(o.SingleIntervalTicker);i.YearsTicker=a,a.initClass()},function(t,e,i){var n=t(379),r=t(209),o=t(15),s=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="BBoxTileSource",this.define({use_latlon:[o.Bool,!1]})},e.prototype.get_image_url=function(t,e,i){var n,r,o,s,a=this.string_lookup_replace(this.url,this.extra_url_vars);return this.use_latlon?(l=this.get_tile_geographic_bounds(t,e,i),r=l[0],s=l[1],n=l[2],o=l[3]):(h=this.get_tile_meter_bounds(t,e,i),r=h[0],s=h[1],n=h[2],o=h[3]),a.replace("{XMIN}",r.toString()).replace("{YMIN}",s.toString()).replace("{XMAX}",n.toString()).replace("{YMAX}",o.toString());var l,h},e}(r.MercatorTileSource);i.BBoxTileSource=s,s.initClass()},function(t,e,i){var n=t(44),r=function(){function t(){this.images=[]}return t.prototype.pop=function(){var t=this.images.pop();return null!=t?t:new Image},t.prototype.push=function(t){if(!(this.images.length>50)){n.isArray(t)?(e=this.images).push.apply(e,t):this.images.push(t);var e}},t}();i.ImagePool=r},function(t,e,i){var n=t(206);i.BBoxTileSource=n.BBoxTileSource;var r=t(209);i.MercatorTileSource=r.MercatorTileSource;var o=t(210);i.QUADKEYTileSource=o.QUADKEYTileSource;var s=t(211);i.TileRenderer=s.TileRenderer;var a=t(212);i.TileSource=a.TileSource;var l=t(214);i.TMSTileSource=l.TMSTileSource;var h=t(215);i.WMTSTileSource=h.WMTSTileSource},function(t,e,i){var n=t(379),r=t(212),o=t(15),s=t(21),a=t(213),l=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="MercatorTileSource",this.define({snap_to_zoom:[o.Bool,!1],wrap_around:[o.Bool,!0]}),this.override({x_origin_offset:20037508.34,y_origin_offset:20037508.34,initial_resolution:156543.03392804097})},e.prototype.initialize=function(){var e=this;t.prototype.initialize.call(this),this._resolutions=s.range(this.min_zoom,this.max_zoom+1).map(function(t){return e.get_resolution(t)})},e.prototype._computed_initial_resolution=function(){return null!=this.initial_resolution?this.initial_resolution:2*Math.PI*6378137/this.tile_size},e.prototype.is_valid_tile=function(t,e,i){return!(!this.wrap_around&&(t<0||t>=Math.pow(2,i)))&&!(e<0||e>=Math.pow(2,i))},e.prototype.parent_by_tile_xyz=function(t,e,i){var n=this.tile_xyz_to_quadkey(t,e,i),r=n.substring(0,n.length-1);return this.quadkey_to_tile_xyz(r)},e.prototype.get_resolution=function(t){return this._computed_initial_resolution()/Math.pow(2,t)},e.prototype.get_resolution_by_extent=function(t,e,i){var n=(t[2]-t[0])/i,r=(t[3]-t[1])/e;return[n,r]},e.prototype.get_level_by_extent=function(t,e,i){for(var n=(t[2]-t[0])/i,r=(t[3]-t[1])/e,o=Math.max(n,r),s=0,a=0,l=this._resolutions;ah){if(0===s)return 0;if(s>0)return s-1}s+=1}throw new Error("unreachable code")},e.prototype.get_closest_level_by_extent=function(t,e,i){var n=(t[2]-t[0])/i,r=(t[3]-t[1])/e,o=Math.max(n,r),s=this._resolutions.reduce(function(t,e){return Math.abs(e-o)_?(h=s-r,c*=u):(h*=_,c=a-o)}var p=(h-(s-r))/2,d=(c-(a-o))/2;return[r-p,o-d,s+p,a+d]},e.prototype.tms_to_wmts=function(t,e,i){"Note this works both ways";return[t,Math.pow(2,i)-1-e,i]},e.prototype.wmts_to_tms=function(t,e,i){"Note this works both ways";return[t,Math.pow(2,i)-1-e,i]},e.prototype.pixels_to_meters=function(t,e,i){var n=this.get_resolution(i),r=t*n-this.x_origin_offset,o=e*n-this.y_origin_offset;return[r,o]},e.prototype.meters_to_pixels=function(t,e,i){var n=this.get_resolution(i),r=(t+this.x_origin_offset)/n,o=(e+this.y_origin_offset)/n;return[r,o]},e.prototype.pixels_to_tile=function(t,e){var i=Math.ceil(t/this.tile_size);i=0===i?i:i-1;var n=Math.max(Math.ceil(e/this.tile_size)-1,0);return[i,n]},e.prototype.pixels_to_raster=function(t,e,i){var n=this.tile_size<=h;d--)for(var f=l;f<=u;f++)this.is_valid_tile(f,d,e)&&p.push([f,d,e,this.get_tile_meter_bounds(f,d,e)]);return this.sort_tiles_from_center(p,[l,h,u,_]),p},e.prototype.quadkey_to_tile_xyz=function(t){for(var e=0,i=0,n=t.length,r=n;r>0;r--){var o=t.charAt(n-r),s=1<0;r--){var o=1<0;)if(r=r.substring(0,r.length-1),s=this.quadkey_to_tile_xyz(r),t=s[0],e=s[1],i=s[2],a=this.denormalize_xyz(t,e,i,n),t=a[0],e=a[1],i=a[2],this.tile_xyz_to_key(t,e,i)in this.tiles)return[t,e,i];return[0,0,0];var o,s,a},e.prototype.normalize_xyz=function(t,e,i){if(this.wrap_around){var n=Math.pow(2,i);return[(t%n+n)%n,e,i]}return[t,e,i]},e.prototype.denormalize_xyz=function(t,e,i,n){return[t+n*Math.pow(2,i),e,i]},e.prototype.denormalize_meters=function(t,e,i,n){return[t+2*n*Math.PI*6378137,e]},e.prototype.calculate_world_x_by_tile_xyz=function(t,e,i){return Math.floor(t/Math.pow(2,i))},e}(r.TileSource);i.MercatorTileSource=l,l.initClass()},function(t,e,i){var n=t(379),r=t(209),o=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="QUADKEYTileSource"},e.prototype.get_image_url=function(t,e,i){var n=this.string_lookup_replace(this.url,this.extra_url_vars),r=this.tms_to_wmts(t,e,i),o=r[0],s=r[1],a=r[2],l=this.tile_xyz_to_quadkey(o,s,a);return n.replace("{Q}",l)},e}(r.MercatorTileSource);i.QUADKEYTileSource=o,o.initClass()},function(t,e,i){var n=t(379),r=t(207),o=t(215),s=t(173),a=t(5),l=t(15),h=t(21),c=t(44),u=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype.initialize=function(e){this.attributionEl=null,this._tiles=[],t.prototype.initialize.call(this,e)},e.prototype.connect_signals=function(){var e=this;t.prototype.connect_signals.call(this),this.connect(this.model.change,function(){return e.request_render()})},e.prototype.get_extent=function(){return[this.x_range.start,this.y_range.start,this.x_range.end,this.y_range.end]},Object.defineProperty(e.prototype,"map_plot",{get:function(){return this.plot_model.plot},enumerable:!0,configurable:!0}),Object.defineProperty(e.prototype,"map_canvas",{get:function(){return this.plot_view.canvas_view.ctx},enumerable:!0,configurable:!0}),Object.defineProperty(e.prototype,"map_frame",{get:function(){return this.plot_model.frame},enumerable:!0,configurable:!0}),Object.defineProperty(e.prototype,"x_range",{get:function(){return this.map_plot.x_range},enumerable:!0,configurable:!0}),Object.defineProperty(e.prototype,"y_range",{get:function(){return this.map_plot.y_range},enumerable:!0,configurable:!0}),e.prototype._set_data=function(){this.pool=new r.ImagePool,this.extent=this.get_extent(),this._last_height=void 0,this._last_width=void 0},e.prototype._add_attribution=function(){var t=this.model.tile_source.attribution;if(c.isString(t)&&t.length>0){if(null==this.attributionEl){var e=this.plot_model.canvas._right.value-this.plot_model.frame._right.value,i=this.plot_model.canvas._bottom.value-this.plot_model.frame._bottom.value,n=this.map_frame._width.value;this.attributionEl=a.div({class:"bk-tile-attribution",style:{position:"absolute",bottom:i+"px",right:e+"px","max-width":n+"px",padding:"2px","background-color":"rgba(255,255,255,0.8)","font-size":"9pt","font-family":"sans-serif"}});var r=this.plot_view.canvas_view.events_el;r.appendChild(this.attributionEl)}this.attributionEl.innerHTML=t}},e.prototype._map_data=function(){this.initial_extent=this.get_extent();var t=this.model.tile_source.get_level_by_extent(this.initial_extent,this.map_frame._height.value,this.map_frame._width.value),e=this.model.tile_source.snap_to_zoom_level(this.initial_extent,this.map_frame._height.value,this.map_frame._width.value,t);this.x_range.start=e[0],this.y_range.start=e[1],this.x_range.end=e[2],this.y_range.end=e[3],this._add_attribution()},e.prototype._on_tile_load=function(t,e){t.img=e.target,t.loaded=!0,this.request_render()},e.prototype._on_tile_cache_load=function(t,e){t.img=e.target,t.loaded=!0,t.finished=!0,this.notify_finished()},e.prototype._on_tile_error=function(t){t.finished=!0},e.prototype._create_tile=function(t,e,i,n,r){void 0===r&&(r=!1);var o=this.model.tile_source.normalize_xyz(t,e,i),s=o[0],a=o[1],l=o[2],h=this.pool.pop(),c={img:h,tile_coords:[t,e,i],normalized_coords:[s,a,l],quadkey:this.model.tile_source.tile_xyz_to_quadkey(t,e,i),cache_key:this.model.tile_source.tile_xyz_to_key(t,e,i),bounds:n,loaded:!1,finished:!1,x_coord:n[0],y_coord:n[3]};h.onload=r?this._on_tile_cache_load.bind(this,c):this._on_tile_load.bind(this,c),h.onerror=this._on_tile_error.bind(this,c),h.alt="",h.src=this.model.tile_source.get_image_url(s,a,l),this.model.tile_source.tiles[c.cache_key]=c,this._tiles.push(c)},e.prototype._enforce_aspect_ratio=function(){if(this._last_height!==this.map_frame._height.value||this._last_width!==this.map_frame._width.value){var t=this.get_extent(),e=this.model.tile_source.get_level_by_extent(t,this.map_frame._height.value,this.map_frame._width.value),i=this.model.tile_source.snap_to_zoom_level(t,this.map_frame._height.value,this.map_frame._width.value,e);return this.x_range.setv({start:i[0],end:i[2]}),this.y_range.setv({start:i[1],end:i[3]}),this.extent=i,this._last_height=this.map_frame._height.value,this._last_width=this.map_frame._width.value,!0}return!1},e.prototype.has_finished=function(){if(!t.prototype.has_finished.call(this))return!1;if(0===this._tiles.length)return!1;for(var e=0,i=this._tiles;en&&(r=this.extent,l=n,c=!0),c&&(this.x_range.setv({x_range:{start:r[0],end:r[2]}}),this.y_range.setv({start:r[1],end:r[3]}),this.extent=r),this.extent=r;for(var u=e.get_tiles_by_extent(r,l),_=[],p=[],d=[],f=[],v=0,m=u;v=o?[1,_/o]:[o/_,1])[0];t[0]<=e[0]?(n=t[0],(r=t[0]+c*p)>s&&(r=s)):(r=t[0],(n=t[0]-c*p)l&&(d=l)):(d=t[1],(f=t[1]-c/o)r.end)&&(this.v_axis_only=!0),(io.end)&&(this.h_axis_only=!0)}null!=this.model.document&&this.model.document.interactive_start(this.plot_model.plot)},e.prototype._pan=function(t){this._update(t.deltaX,t.deltaY),null!=this.model.document&&this.model.document.interactive_start(this.plot_model.plot)},e.prototype._pan_end=function(t){this.h_axis_only=!1,this.v_axis_only=!1,null!=this.pan_info&&this.plot_view.push_state("pan",{range:this.pan_info})},e.prototype._update=function(t,e){var i,n,r,o=this.plot_model.frame,s=t-this.last_dx,a=e-this.last_dy,l=o.bbox.h_range,h=l.start-s,c=l.end-s,u=o.bbox.v_range,_=u.start-a,p=u.end-a,d=this.model.dimensions;"width"!=d&&"both"!=d||this.v_axis_only?(i=l.start,n=l.end,r=0):(i=h,n=c,r=-s);var f,v,m;"height"!=d&&"both"!=d||this.h_axis_only?(f=u.start,v=u.end,m=0):(f=_,v=p,m=-a),this.last_dx=t,this.last_dy=e;var g=o.xscales,y=o.yscales,b={};for(var x in g){var w=g[x],k=w.r_invert(i,n),S=k[0],C=k[1];b[x]={start:S,end:C}}var T={};for(var A in y){var w=y[A],E=w.r_invert(f,v),S=E[0],C=E[1];T[A]={start:S,end:C}}this.pan_info={xrs:b,yrs:T,sdx:r,sdy:m},this.plot_view.update_range(this.pan_info,!0)},e}(r.GestureToolView);i.PanToolView=s;var a=function(t){function e(e){var i=t.call(this,e)||this;return i.tool_name="Pan",i.event_type="pan",i.default_order=10,i}return n.__extends(e,t),e.initClass=function(){this.prototype.type="PanTool",this.prototype.default_view=s,this.define({dimensions:[o.Dimensions,"both"]})},Object.defineProperty(e.prototype,"tooltip",{get:function(){return this._get_dim_tooltip("Pan",this.dimensions)},enumerable:!0,configurable:!0}),Object.defineProperty(e.prototype,"icon",{get:function(){switch(this.dimensions){case"both":return"bk-tool-icon-pan";case"width":return"bk-tool-icon-xpan";case"height":return"bk-tool-icon-ypan"}},enumerable:!0,configurable:!0}),e}(r.GestureTool);i.PanTool=a,a.initClass()},function(t,e,i){var n=t(379),r=t(236),o=t(65),s=t(5),a=t(15),l=t(21),h=t(32),c=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype.initialize=function(e){t.prototype.initialize.call(this,e),this.data={sx:[],sy:[]}},e.prototype.connect_signals=function(){var e=this;t.prototype.connect_signals.call(this),this.connect(this.model.properties.active.change,function(){return e._active_change()})},e.prototype._active_change=function(){this.model.active||this._clear_data()},e.prototype._keyup=function(t){t.keyCode==s.Keys.Enter&&this._clear_data()},e.prototype._doubletap=function(t){var e=t.shiftKey;this._do_select(this.data.sx,this.data.sy,!0,e),this.plot_view.push_state("poly_select",{selection:this.plot_view.get_selection()}),this._clear_data()},e.prototype._clear_data=function(){this.data={sx:[],sy:[]},this.model.overlay.update({xs:[],ys:[]})},e.prototype._tap=function(t){var e=t.sx,i=t.sy,n=this.plot_model.frame;n.bbox.contains(e,i)&&(this.data.sx.push(e),this.data.sy.push(i),this.model.overlay.update({xs:l.copy(this.data.sx),ys:l.copy(this.data.sy)}))},e.prototype._do_select=function(t,e,i,n){var r={type:"poly",sx:t,sy:e};this._select(r,i,n)},e.prototype._emit_callback=function(t){var e=this.computed_renderers[0],i=this.plot_model.frame,n=i.xscales[e.x_range_name],r=i.yscales[e.y_range_name],o=n.v_invert(t.sx),s=r.v_invert(t.sy),a=h.extend({x:o,y:s},t);this.model.callback.execute(this.model,{geometry:a})},e}(r.SelectToolView);i.PolySelectToolView=c;var u=function(){return new o.PolyAnnotation({level:"overlay",xs_units:"screen",ys_units:"screen",fill_color:{value:"lightgrey"},fill_alpha:{value:.5},line_color:{value:"black"},line_alpha:{value:1},line_width:{value:2},line_dash:{value:[4,4]}})},_=function(t){function e(e){var i=t.call(this,e)||this;return i.tool_name="Poly Select",i.icon="bk-tool-icon-polygon-select",i.event_type="tap",i.default_order=11,i}return n.__extends(e,t),e.initClass=function(){this.prototype.type="PolySelectTool",this.prototype.default_view=c,this.define({callback:[a.Instance],overlay:[a.Instance,u]})},e}(r.SelectTool);i.PolySelectTool=_,_.initClass()},function(t,e,i){var n=t(379),r=t(232),o=t(169),s=t(170),a=t(15),l=t(32),h=t(21),c=t(5),u=t(3),_=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),Object.defineProperty(e.prototype,"computed_renderers",{get:function(){var t=this.model.renderers,e=this.model.names;if(0==t.length){var i=this.plot_model.plot.renderers;t=i.filter(function(t){return t instanceof o.GlyphRenderer||t instanceof s.GraphRenderer})}return e.length>0&&(t=t.filter(function(t){return h.includes(e,t.name)})),t},enumerable:!0,configurable:!0}),e.prototype._computed_renderers_by_data_source=function(){for(var t={},e=0,i=this.computed_renderers;e.9?e=.9:e<-.9&&(e=-.9),this._update_ranges(e)},e.prototype._update_ranges=function(t){var e,i,n,r,o=this.plot_model.frame,s=o.bbox.h_range,a=o.bbox.v_range,l=[s.start,s.end],h=l[0],c=l[1],u=[a.start,a.end],_=u[0],p=u[1];switch(this.model.dimension){case"height":var d=Math.abs(p-_);e=h,i=c,n=_-d*t,r=p-d*t;break;case"width":var f=Math.abs(c-h);e=h-f*t,i=c-f*t,n=_,r=p;break;default:throw new Error("this shouldn't have happened")}var v=o.xscales,m=o.yscales,g={};for(var y in v){var b=v[y],x=b.r_invert(e,i),w=x[0],k=x[1];g[y]={start:w,end:k}}var S={};for(var C in m){var b=m[C],T=b.r_invert(n,r),w=T[0],k=T[1];S[C]={start:w,end:k}}var A={xrs:g,yrs:S,factor:t};this.plot_view.push_state("wheel_pan",{range:A}),this.plot_view.update_range(A,!1,!0),null!=this.model.document&&this.model.document.interactive_start(this.plot_model.plot)},e}(r.GestureToolView);i.WheelPanToolView=s;var a=function(t){function e(e){var i=t.call(this,e)||this;return i.tool_name="Wheel Pan",i.icon="bk-tool-icon-wheel-pan",i.event_type="scroll",i.default_order=12,i}return n.__extends(e,t),e.initClass=function(){this.prototype.type="WheelPanTool",this.prototype.default_view=s,this.define({dimension:[o.Dimension,"width"]}),this.internal({speed:[o.Number,.001]})},Object.defineProperty(e.prototype,"tooltip",{get:function(){return this._get_dim_tooltip(this.tool_name,this.dimension)},enumerable:!0,configurable:!0}),e}(r.GestureTool);i.WheelPanTool=a,a.initClass()},function(t,e,i){var n=t(379),r=t(232),o=t(46),s=t(15),a=t(20),l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype._pinch=function(t){var e,i=t.sx,n=t.sy,r=t.scale;e=r>=1?20*(r-1):-20/r,this._scroll({type:"mousewheel",sx:i,sy:n,delta:e})},e.prototype._scroll=function(t){var e=this.plot_model.frame,i=e.bbox.h_range,n=e.bbox.v_range,r=t.sx,s=t.sy,a=this.model.dimensions,l=("width"==a||"both"==a)&&i.start0&&(t=t.filter(function(t){return f.includes(e,t.name)})),t},e.prototype._compute_ttmodels=function(){var t={},e=this.model.tooltips;if(null!=e)for(var i=0,n=this.computed_renderers;i=0){var v=c.match(/\$color(\[.*\])?:(\w*)/),g=v[1],y=void 0===g?"":g,b=v[2],x=t.get_column(b);if(null==x){var w=_.span({},b+" unknown");f.appendChild(w);continue}var k=y.indexOf("hex")>=0,S=y.indexOf("swatch")>=0,C=x[e];if(null==C){var T=_.span({},"(null)");f.appendChild(T);continue}k&&(C=d.color2hex(C));var r=_.span({},C);f.appendChild(r),S&&(r=_.span({class:"bk-tooltip-color-block",style:{backgroundColor:C}}," "),f.appendChild(r))}else{var r=_.span();r.innerHTML=u.replace_placeholders(c.replace("$~","$data_"),t,e,this.model.formatters,i),f.appendChild(r)}}return o},e}(s.InspectToolView);i.HoverToolView=y;var b=function(t){function e(e){var i=t.call(this,e)||this;return i.tool_name="Hover",i.icon="bk-tool-icon-hover",i}return o.__extends(e,t),e.initClass=function(){this.prototype.type="HoverTool",this.prototype.default_view=y,this.define({tooltips:[p.Any,[["index","$index"],["data (x, y)","($x, $y)"],["screen (x, y)","($sx, $sy)"]]],formatters:[p.Any,{}],renderers:[p.Array,[]],names:[p.Array,[]],mode:[p.String,"mouse"],point_policy:[p.String,"snap_to_data"],line_policy:[p.String,"nearest"],show_arrow:[p.Boolean,!0],anchor:[p.String,"center"],attachment:[p.String,"horizontal"],callback:[p.Any]})},e}(s.InspectTool);i.HoverTool=b,b.initClass()},function(t,e,i){var n=t(379),r=t(224),o=t(244),s=t(15),a=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e}(r.ButtonToolView);i.InspectToolView=a;var l=function(t){function e(e){var i=t.call(this,e)||this;return i.event_type="move",i}return n.__extends(e,t),e.initClass=function(){this.prototype.type="InspectTool",this.prototype.button_view=o.OnOffButtonView,this.define({toggleable:[s.Bool,!0]}),this.override({active:!0})},e}(r.ButtonTool);i.InspectTool=l,l.initClass()},function(t,e,i){var n=t(379),r=t(224),o=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype.render=function(){t.prototype.render.call(this),this.model.active?this.el.classList.add("bk-active"):this.el.classList.remove("bk-active")},e.prototype._clicked=function(){var t=this.model.active;this.model.active=!t},e}(r.ButtonToolButtonView);i.OnOffButtonView=o},function(t,e,i){var n=t(379),r=t(15),o=t(48),s=t(21),a=t(53),l=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype.initialize=function(e){t.prototype.initialize.call(this,e),this.plot_view=e.plot_view},Object.defineProperty(e.prototype,"plot_model",{get:function(){return this.plot_view.model},enumerable:!0,configurable:!0}),e.prototype.connect_signals=function(){var e=this;t.prototype.connect_signals.call(this),this.connect(this.model.properties.active.change,function(){e.model.active?e.activate():e.deactivate()})},e.prototype.activate=function(){},e.prototype.deactivate=function(){},e}(o.View);i.ToolView=l;var h=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="Tool",this.internal({active:[r.Boolean,!1]})},Object.defineProperty(e.prototype,"synthetic_renderers",{get:function(){return[]},enumerable:!0,configurable:!0}),e.prototype._get_dim_tooltip=function(t,e){switch(e){case"width":return t+" (x-axis)";case"height":return t+" (y-axis)";case"both":return t}},e.prototype._get_dim_limits=function(t,e,i,n){var r,o=t[0],a=t[1],l=e[0],h=e[1],c=i.bbox.h_range;"width"==n||"both"==n?(r=[s.min([o,l]),s.max([o,l])],r=[s.max([r[0],c.start]),s.min([r[1],c.end])]):r=[c.start,c.end];var u,_=i.bbox.v_range;return"height"==n||"both"==n?(u=[s.min([a,h]),s.max([a,h])],u=[s.max([u[0],_.start]),s.min([u[1],_.end])]):u=[_.start,_.end],[r,u]},e}(a.Model);i.Tool=h,h.initClass()},function(t,e,i){var n=t(379),r=t(15),o=t(19),s=t(53),a=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="ToolProxy",this.define({tools:[r.Array,[]],active:[r.Bool,!1],disabled:[r.Bool,!1]})},Object.defineProperty(e.prototype,"button_view",{get:function(){return this.tools[0].button_view},enumerable:!0,configurable:!0}),Object.defineProperty(e.prototype,"event_type",{get:function(){return this.tools[0].event_type},enumerable:!0,configurable:!0}),Object.defineProperty(e.prototype,"tooltip",{get:function(){return this.tools[0].tool_name},enumerable:!0,configurable:!0}),Object.defineProperty(e.prototype,"tool_name",{get:function(){return this.tools[0].tool_name},enumerable:!0,configurable:!0}),Object.defineProperty(e.prototype,"icon",{get:function(){return this.tools[0].icon},enumerable:!0,configurable:!0}),e.prototype.initialize=function(){t.prototype.initialize.call(this),this.do=new o.Signal0(this,"do")},e.prototype.connect_signals=function(){var e=this;t.prototype.connect_signals.call(this),this.connect(this.do,function(){return e.doit()}),this.connect(this.properties.active.change,function(){return e.set_active()})},e.prototype.doit=function(){for(var t=0,e=this.tools;t0){var k=b(w);u.tools.push(k),this.connect(k.properties.active.change,this._active_change.bind(this,k))}}}this.actions=[];for(var x in i){var w=i[x];w.length>0&&this.actions.push(b(w))}this.inspectors=[];for(var x in e){var w=e[x];w.length>0&&this.inspectors.push(b(w,!0))}for(var S in this.gestures){var u=this.gestures[S];0!=u.tools.length&&(u.tools=l.sortBy(u.tools,function(t){return t.default_order}),"pinch"!=S&&"scroll"!=S&&"multi"!=S&&(u.tools[0].active=!0))}var C},e}(p.ToolbarBase);i.ProxyToolbar=m,m.initClass();var g=function(t){function e(){return null!==t&&t.apply(this,arguments)||this}return n.__extends(e,t),e.prototype.initialize=function(e){t.prototype.initialize.call(this,e),this.model.toolbar.toolbar_location=this.model.toolbar_location,this._toolbar_views={},v.build_views(this._toolbar_views,[this.model.toolbar],{parent:this})},e.prototype.remove=function(){v.remove_views(this._toolbar_views),t.prototype.remove.call(this)},e.prototype.css_classes=function(){return t.prototype.css_classes.call(this).concat("bk-toolbar-box")},e.prototype.render=function(){t.prototype.render.call(this);var e=this._toolbar_views[this.model.toolbar.id];e.render(),o.empty(this.el),this.el.appendChild(e.el)},e.prototype.get_width=function(){return this.model.toolbar.vertical?30:null},e.prototype.get_height=function(){return this.model.toolbar.horizontal?30:null},e}(f.LayoutDOMView);i.ToolbarBoxView=g;var y=function(t){function e(e){return t.call(this,e)||this}return n.__extends(e,t),e.initClass=function(){this.prototype.type="ToolbarBox",this.prototype.default_view=g,this.define({toolbar:[r.Instance],toolbar_location:[r.Location,"right"]})},Object.defineProperty(e.prototype,"sizing_mode",{get:function(){switch(this.toolbar_location){case"above":case"below":return"scale_width";case"left":case"right":return"scale_height"}},enumerable:!0,configurable:!0}),e}(f.LayoutDOM);i.ToolbarBox=y,y.initClass()},function(t,e,i){var n=t(379),r=t(257),o=t(15),s=t(32),a=function(e){function r(t){return e.call(this,t)||this}return n.__extends(r,e),r.initClass=function(){this.prototype.type="CustomJSTransform",this.define({args:[o.Any,{}],func:[o.String,""],v_func:[o.String,""]})},Object.defineProperty(r.prototype,"values",{get:function(){return 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n.__extends(e,t),e.initClass=function(){this.prototype.type="Dodge",this.define({value:[s.Number,0],range:[s.Instance]})},e.prototype.v_compute=function(t){var e;if(this.range instanceof o.FactorRange)e=this.range.v_synthetic(t);else{if(!a.isArrayableOf(t,a.isNumber))throw new Error("unexpected");e=t}for(var i=new Float64Array(e.length),n=0;ne.x?-1:t.x==e.x?0:1}):r.sort(function(t,e){return t.xthis._x_sorted[this._x_sorted.length-1])return NaN}else{if(tthis._x_sorted[this._x_sorted.length-1])return this._y_sorted[this._y_sorted.length-1]}if(t==this._x_sorted[0])return this._y_sorted[0];var e=r.findLastIndex(this._x_sorted,function(e){return ethis._x_sorted[this._x_sorted.length-1])return NaN}else{if(tthis._x_sorted[this._x_sorted.length-1])return this._y_sorted[this._y_sorted.length-1]}var e;switch(this.mode){case"after":e=s.findLastIndex(this._x_sorted,function(e){return t>=e});break;case"before":e=s.findIndex(this._x_sorted,function(e){return t<=e});break;case"center":var 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IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE -LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR -CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF -SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS -INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN -CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) -ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF -THE POSSIBILITY OF SUCH DAMAGE. -*/ - -//# sourceMappingURL=bokeh.min.js.map diff --git a/qmpy/web/static/js/bokeh-2.4.2.min.js b/qmpy/web/static/js/bokeh-2.4.2.min.js new file mode 100644 index 00000000..2e2070f9 --- /dev/null +++ b/qmpy/web/static/js/bokeh-2.4.2.min.js @@ -0,0 +1,596 @@ +/*! + * Copyright (c) 2012 - 2021, Anaconda, Inc., and Bokeh Contributors + * All rights reserved. + * + * Redistribution and use in source and binary forms, with or without modification, + * are permitted provided that the following conditions are met: + * + * Redistributions of source code must retain the above copyright notice, + * this list of conditions and the following disclaimer. + * + * Redistributions in binary form must reproduce the above copyright notice, + * this list of conditions and the following disclaimer in the documentation + * and/or other materials provided with the distribution. + * + * Neither the name of Anaconda nor the names of any contributors + * may be used to endorse or promote products derived from this software + * without specific prior written permission. + * + * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" + * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE + * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE + * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE + * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR + * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF + * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS + * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN + * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) + * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF + * THE POSSIBILITY OF SUCH DAMAGE. + */ +(function(root, factory) { + const bokeh = factory(); + bokeh.__bokeh__ = true; + if (typeof root.Bokeh === "undefined" || typeof root.Bokeh.__bokeh__ === "undefined") { + root.Bokeh = bokeh; + } + const Bokeh = root.Bokeh; + Bokeh[bokeh.version] = bokeh; +})(this, function() { + let define; + const parent_require = typeof require === "function" && require + return (function(modules, entry, aliases, externals) { + if (aliases === undefined) aliases = {}; + if (externals === undefined) externals = {}; + + const cache = {}; + + const normalize = function(name) { + if (typeof name === "number") + return name; + + if (name === "bokehjs") + return entry; + + if (!externals[name]) { + const prefix = "@bokehjs/" + if (name.slice(0, prefix.length) === prefix) + name = name.slice(prefix.length) + } + + const alias = aliases[name] + if (alias != null) + return alias; + + const trailing = name.length > 0 && name[name.lenght-1] === "/"; + const index = aliases[name + (trailing ? 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(not in Document?)`)}if((0,u.is_NDArray_ref)(e)){const{buffer:t,dtype:s,shape:n}=(0,u.decode_NDArray)(e,o);return(0,m.ndarray)(t,{dtype:s,shape:n})}return(0,b.isArray)(e)?function(e){const t=[];for(const s of e)t.push(n(s));return t}(e):(0,b.isPlainObject)(e)?function(e){const t={};for(const[s,o]of(0,v.entries)(e))t[s]=n(o);return t}(e):e}return n(e)}static _initialize_references_json(e,t,s,o){const n=new Map;for(const{id:i,attributes:r}of e){const e=!t.has(i),a=e?s.get(i):t.get(i),l=E._resolve_refs(r,t,s,o);a.setv(l,{silent:!0}),n.set(i,{instance:a,is_new:e})}const i=[],r=new Set;function a(e){if(e instanceof c.HasProps){if(n.has(e.id)&&!r.has(e.id)){r.add(e.id);const{instance:t,is_new:s}=n.get(e.id),{attributes:o}=t;for(const e of(0,v.values)(o))a(e);s&&(t.finalize(),i.push(t))}}else if((0,b.isArray)(e))for(const t of e)a(t);else if((0,b.isPlainObject)(e))for(const t of(0,v.values)(e))a(t)}for(const e of n.values())a(e.instance);for(const e of i)e.connect_signals()}static _event_for_attribute_change(e,t,s,o,n){if(o.get_model_by_id(e.id).property(t).syncable){const i={kind:"ModelChanged",model:{id:e.id},attr:t,new:s};return c.HasProps._json_record_references(o,s,n,{recursive:!0}),i}return null}static _events_to_sync_objects(e,t,s,o){const n=Object.keys(e.attributes),i=Object.keys(t.attributes),r=(0,g.difference)(n,i),a=(0,g.difference)(i,n),_=(0,g.intersection)(n,i),c=[];for(const e of r)l.logger.warn(`Server sent key ${e} but we don't seem to have it in our JSON`);for(const n of a){const i=t.attributes[n];c.push(E._event_for_attribute_change(e,n,i,s,o))}for(const n of _){const i=e.attributes[n],r=t.attributes[n];null==i&&null==r||(null==i||null==r?c.push(E._event_for_attribute_change(e,n,r,s,o)):"data"==n||(0,w.is_equal)(i,r)||c.push(E._event_for_attribute_change(e,n,r,s,o)))}return c.filter((e=>null!=e))}static _compute_patch_since_json(e,t){const s=t.to_json(!1);function o(e){const t=new Map;for(const s of e.roots.references)t.set(s.id,s);return t}const n=o(e),i=new Map,r=[];for(const t of e.roots.root_ids)i.set(t,n.get(t)),r.push(t);const a=o(s),l=new Map,_=[];for(const e of s.roots.root_ids)l.set(e,a.get(e)),_.push(e);if(r.sort(),_.sort(),(0,g.difference)(r,_).length>0||(0,g.difference)(_,r).length>0)throw new Error("Not implemented: computing add/remove of document roots");const c=new Set;let h=[];for(const e of t._all_models.keys())if(n.has(e)){const s=E._events_to_sync_objects(n.get(e),a.get(e),t,c);h=h.concat(s)}const f=new d.Serializer({include_defaults:!1});return f.to_serializable([...c]),{references:[...f.definitions],events:h}}to_json_string(e=!0){return JSON.stringify(this.to_json(e))}to_json(e=!0){const t=new d.Serializer({include_defaults:e}),s=t.to_serializable(this._roots);return{version:a.version,title:this._title,roots:{root_ids:s.map((e=>e.id)),references:[...t.definitions]}}}static from_json_string(e){const t=JSON.parse(e);return E.from_json(t)}static from_json(e){l.logger.debug("Creating Document from JSON");const t=e.version,s=-1!==t.indexOf("+")||-1!==t.indexOf("-"),o=`Library versions: JS (${a.version}) / Python (${t})`;s||a.version.replace(/-(dev|rc)\./,"$1")==t?l.logger.debug(o):(l.logger.warn("JS/Python version mismatch"),l.logger.warn(o));const n=new r.ModelResolver;null!=e.defs&&(0,j.resolve_defs)(e.defs,n);const i=e.roots,_=i.root_ids,c=i.references,d=E._instantiate_references_json(c,new Map,n);E._initialize_references_json(c,new Map,d,new Map);const h=new E({resolver:n});for(const e of _){const t=d.get(e);null!=t&&h.add_root(t)}return h.set_title(e.title),h}replace_with_json(e){E.from_json(e).destructively_move(this)}create_json_patch_string(e){return JSON.stringify(this.create_json_patch(e))}create_json_patch(e){for(const t of e)if(t.document!=this)throw new Error("Cannot create a patch using events from a different document");const t=new d.Serializer,s=t.to_serializable(e);for(const e of this._all_models.values())t.remove_def(e);return{events:s,references:[...t.definitions]}}apply_json_patch(e,t=new Map,s){const o=e.references,n=e.events,i=E._instantiate_references_json(o,this._all_models,this._resolver);t instanceof Map||(t=new Map(t));for(const e of n)switch(e.kind){case"RootAdded":case"RootRemoved":case"ModelChanged":{const t=e.model.id,s=this._all_models.get(t);if(null!=s)i.set(t,s);else if(!i.has(t))throw l.logger.warn(`Got an event for unknown model ${e.model}"`),new Error("event model wasn't known");break}}const r=new Map(this._all_models),a=new Map;for(const[e,t]of i)r.has(e)||a.set(e,t);E._initialize_references_json(o,r,a,t);for(const e of n)switch(e.kind){case"MessageSent":{const{msg_type:s,msg_data:o}=e;let n;if(void 0===o){if(1!=t.size)throw new Error("expected exactly one buffer");{const[[,e]]=t;n=e}}else n=E._resolve_refs(o,r,a,t);this._trigger_on_message(s,n);break}case"ModelChanged":{const o=e.model.id,n=this._all_models.get(o);if(null==n)throw new Error(`Cannot apply patch to ${o} which is not in the document`);const i=e.attr,l=E._resolve_refs(e.new,r,a,t);n.setv({[i]:l},{setter_id:s});break}case"ColumnDataChanged":{const o=e.column_source.id,n=this._all_models.get(o);if(null==n)throw new Error(`Cannot stream to ${o} which is not in the document`);const i=E._resolve_refs(e.new,new Map,new Map,t);if(null!=e.cols)for(const e in n.data)e in i||(i[e]=n.data[e]);n.setv({data:i},{setter_id:s,check_eq:!1});break}case"ColumnsStreamed":{const t=e.column_source.id,o=this._all_models.get(t);if(null==o)throw new Error(`Cannot stream to ${t} which is not in the document`);if(!(o instanceof k.ColumnDataSource))throw new Error("Cannot stream to non-ColumnDataSource");const n=e.data,i=e.rollover;o.stream(n,i,s);break}case"ColumnsPatched":{const t=e.column_source.id,o=this._all_models.get(t);if(null==o)throw new Error(`Cannot patch ${t} which is not in the document`);if(!(o instanceof k.ColumnDataSource))throw new Error("Cannot patch 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o=t(1),h=t(15),r=t(43),l=t(8),_=(0,o.__importDefault)(t(44));class d{constructor(t){this.removed=new h.Signal0(this,"removed"),this._ready=Promise.resolve(void 0),this._slots=new WeakMap,this._idle_notified=!1;const{model:e,parent:s}=t;this.model=e,this.parent=s,this.root=null==s?this:s.root,this.removed.emit()}get ready(){return this._ready}connect(t,e){let s=this._slots.get(e);return null==s&&(s=(t,s)=>{const i=Promise.resolve(e.call(this,t,s));this._ready=this._ready.then((()=>i))},this._slots.set(e,s)),t.connect(s,this)}disconnect(t,e){return t.disconnect(e,this)}initialize(){this._has_finished=!1,this.is_root&&(this._stylesheet=r.stylesheet);for(const t of this.styles())this.stylesheet.append(t)}async lazy_initialize(){}remove(){this.disconnect_signals(),this.removed.emit()}toString(){return`${this.model.type}View(${this.model.id})`}serializable_state(){return{type:this.model.type}}get is_root(){return null==this.parent}has_finished(){return this._has_finished}get is_idle(){return 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pre.bk{font-family:Courier, monospace;}"}, +function _(e,t,r,a,c){a();const n=e(1),l=e(46);c("Line",l.Line),c("LineScalar",l.LineScalar),c("LineVector",l.LineVector);const i=e(49);c("Fill",i.Fill),c("FillScalar",i.FillScalar),c("FillVector",i.FillVector);const s=e(50);c("Text",s.Text),c("TextScalar",s.TextScalar),c("TextVector",s.TextVector);const o=e(51);c("Hatch",o.Hatch),c("HatchScalar",o.HatchScalar),c("HatchVector",o.HatchVector);const u=(0,n.__importStar)(e(48)),V=e(47);c("VisualProperties",V.VisualProperties),c("VisualUniforms",V.VisualUniforms);class h{constructor(e){this._visuals=[];for(const[t,r]of e.model._mixins){const a=(()=>{switch(r){case u.Line:return new l.Line(e,t);case u.LineScalar:return new l.LineScalar(e,t);case u.LineVector:return new l.LineVector(e,t);case u.Fill:return new i.Fill(e,t);case u.FillScalar:return new i.FillScalar(e,t);case u.FillVector:return new i.FillVector(e,t);case u.Text:return new s.Text(e,t);case u.TextScalar:return new s.TextScalar(e,t);case u.TextVector:return new s.TextVector(e,t);case u.Hatch:return new o.Hatch(e,t);case u.HatchScalar:return new o.HatchScalar(e,t);case u.HatchVector:return new o.HatchVector(e,t);default:throw new Error("unknown visual")}})();a instanceof V.VisualProperties&&a.update(),this._visuals.push(a),Object.defineProperty(this,t+a.type,{get:()=>a,configurable:!1,enumerable:!0})}}*[Symbol.iterator](){yield*this._visuals}}r.Visuals=h,h.__name__="Visuals"}, +function _(e,t,i,l,s){l();const a=e(1),n=e(47),h=(0,a.__importStar)(e(48)),o=e(22),_=e(8);function r(e){if((0,_.isArray)(e))return e;switch(e){case"solid":return[];case"dashed":return[6];case"dotted":return[2,4];case"dotdash":return[2,4,6,4];case"dashdot":return[6,4,2,4];default:return e.split(" ").map(Number).filter(_.isInteger)}}i.resolve_line_dash=r;class u extends n.VisualProperties{get doit(){const 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t&&(this.set_value(e),e.stroke()),t}values(){return{color:this.line_color.value,alpha:this.line_alpha.value,width:this.line_width.value,join:this.line_join.value,cap:this.line_cap.value,dash:this.line_dash.value,offset:this.line_dash_offset.value}}set_value(e){const t=this.line_color.value,i=this.line_alpha.value;e.strokeStyle=(0,o.color2css)(t,i),e.lineWidth=this.line_width.value,e.lineJoin=this.line_join.value,e.lineCap=this.line_cap.value,e.lineDash=r(this.line_dash.value),e.lineDashOffset=this.line_dash_offset.value}}i.LineScalar=c,c.__name__="LineScalar";class d extends n.VisualUniforms{get doit(){const{line_color:e}=this;if(e.is_Scalar()&&0==e.value)return!1;const{line_alpha:t}=this;if(t.is_Scalar()&&0==t.value)return!1;const{line_width:i}=this;return!i.is_Scalar()||0!=i.value}apply(e,t){const{doit:i}=this;return i&&(this.set_vectorize(e,t),e.stroke()),i}values(e){return{color:this.line_color.get(e),alpha:this.line_alpha.get(e),width:this.line_width.get(e),join:this.line_join.get(e),cap:this.line_cap.get(e),dash:this.line_dash.get(e),offset:this.line_dash_offset.get(e)}}set_vectorize(e,t){const i=this.line_color.get(t),l=this.line_alpha.get(t),s=this.line_width.get(t),a=this.line_join.get(t),n=this.line_cap.get(t),h=this.line_dash.get(t),_=this.line_dash_offset.get(t);e.strokeStyle=(0,o.color2css)(i,l),e.lineWidth=s,e.lineJoin=a,e.lineCap=n,e.lineDash=r(h),e.lineDashOffset=_}}i.LineVector=d,d.__name__="LineVector",u.prototype.type="line",u.prototype.attrs=Object.keys(h.Line),c.prototype.type="line",c.prototype.attrs=Object.keys(h.LineScalar),d.prototype.type="line",d.prototype.attrs=Object.keys(h.LineVector)}, +function _(t,s,o,i,r){i();class e{constructor(t,s=""){this.obj=t,this.prefix=s;const o=this;this._props=[];for(const i of this.attrs){const r=t.model.properties[s+i];r.change.connect((()=>this.update())),o[i]=r,this._props.push(r)}}*[Symbol.iterator](){yield*this._props}update(){}}o.VisualProperties=e,e.__name__="VisualProperties";class p{constructor(t,s=""){this.obj=t,this.prefix=s;for(const o of this.attrs)Object.defineProperty(this,o,{get:()=>t[s+o]})}*[Symbol.iterator](){for(const t of this.attrs)yield this.obj.model.properties[this.prefix+t]}update(){}}o.VisualUniforms=p,p.__name__="VisualUniforms"}, +function _(e,l,t,a,c){a();const r=e(1),o=(0,r.__importStar)(e(18)),n=e(20),i=(0,r.__importStar)(e(21)),_=e(13);t.Line={line_color:[i.Nullable(i.Color),"black"],line_alpha:[i.Alpha,1],line_width:[i.Number,1],line_join:[n.LineJoin,"bevel"],line_cap:[n.LineCap,"butt"],line_dash:[i.Or(n.LineDash,i.Array(i.Number)),[]],line_dash_offset:[i.Number,0]},t.Fill={fill_color:[i.Nullable(i.Color),"gray"],fill_alpha:[i.Alpha,1]},t.Hatch={hatch_color:[i.Nullable(i.Color),"black"],hatch_alpha:[i.Alpha,1],hatch_scale:[i.Number,12],hatch_pattern:[i.Nullable(i.Or(n.HatchPatternType,i.String)),null],hatch_weight:[i.Number,1],hatch_extra:[i.Dict(i.AnyRef()),{}]},t.Text={text_color:[i.Nullable(i.Color),"#444444"],text_alpha:[i.Alpha,1],text_font:[o.Font,"helvetica"],text_font_size:[i.FontSize,"16px"],text_font_style:[n.FontStyle,"normal"],text_align:[n.TextAlign,"left"],text_baseline:[n.TextBaseline,"bottom"],text_line_height:[i.Number,1.2]},t.LineScalar={line_color:[o.ColorScalar,"black"],line_alpha:[o.NumberScalar,1],line_width:[o.NumberScalar,1],line_join:[o.LineJoinScalar,"bevel"],line_cap:[o.LineCapScalar,"butt"],line_dash:[o.LineDashScalar,[]],line_dash_offset:[o.NumberScalar,0]},t.FillScalar={fill_color:[o.ColorScalar,"gray"],fill_alpha:[o.NumberScalar,1]},t.HatchScalar={hatch_color:[o.ColorScalar,"black"],hatch_alpha:[o.NumberScalar,1],hatch_scale:[o.NumberScalar,12],hatch_pattern:[o.NullStringScalar,null],hatch_weight:[o.NumberScalar,1],hatch_extra:[o.AnyScalar,{}]},t.TextScalar={text_color:[o.ColorScalar,"#444444"],text_alpha:[o.NumberScalar,1],text_font:[o.FontScalar,"helvetica"],text_font_size:[o.FontSizeScalar,"16px"],text_font_style:[o.FontStyleScalar,"normal"],text_align:[o.TextAlignScalar,"left"],text_baseline:[o.TextBaselineScalar,"bottom"],text_line_height:[o.NumberScalar,1.2]},t.LineVector={line_color:[o.ColorSpec,"black"],line_alpha:[o.NumberSpec,1],line_width:[o.NumberSpec,1],line_join:[o.LineJoinSpec,"bevel"],line_cap:[o.LineCapSpec,"butt"],line_dash:[o.LineDashSpec,[]],line_dash_offset:[o.NumberSpec,0]},t.FillVector={fill_color:[o.ColorSpec,"gray"],fill_alpha:[o.NumberSpec,1]},t.HatchVector={hatch_color:[o.ColorSpec,"black"],hatch_alpha:[o.NumberSpec,1],hatch_scale:[o.NumberSpec,12],hatch_pattern:[o.NullStringSpec,null],hatch_weight:[o.NumberSpec,1],hatch_extra:[o.AnyScalar,{}]},t.TextVector={text_color:[o.ColorSpec,"#444444"],text_alpha:[o.NumberSpec,1],text_font:[o.FontSpec,"helvetica"],text_font_size:[o.FontSizeSpec,"16px"],text_font_style:[o.FontStyleSpec,"normal"],text_align:[o.TextAlignSpec,"left"],text_baseline:[o.TextBaselineSpec,"bottom"],text_line_height:[o.NumberSpec,1.2]},t.attrs_of=function(e,l,t,a=!1){const c={};for(const r of(0,_.keys)(t)){const t=`${l}${r}`,o=e[t];c[a?t:r]=o}return c}}, +function _(l,t,e,i,s){i();const a=l(1),o=l(47),r=(0,a.__importStar)(l(48)),_=l(22);class c extends o.VisualProperties{get doit(){const l=this.fill_color.get_value(),t=this.fill_alpha.get_value();return!(null==l||0==t)}apply(l,t){const{doit:e}=this;return e&&(this.set_value(l),l.fill(t)),e}values(){return{color:this.fill_color.get_value(),alpha:this.fill_alpha.get_value()}}set_value(l){const t=this.fill_color.get_value(),e=this.fill_alpha.get_value();l.fillStyle=(0,_.color2css)(t,e)}}e.Fill=c,c.__name__="Fill";class h extends o.VisualUniforms{get doit(){const l=this.fill_color.value,t=this.fill_alpha.value;return!(0==l||0==t)}apply(l,t){const{doit:e}=this;return e&&(this.set_value(l),l.fill(t)),e}values(){return{color:this.fill_color.value,alpha:this.fill_alpha.value}}set_value(l){const t=this.fill_color.value,e=this.fill_alpha.value;l.fillStyle=(0,_.color2css)(t,e)}}e.FillScalar=h,h.__name__="FillScalar";class u extends o.VisualUniforms{get doit(){const{fill_color:l}=this;if(l.is_Scalar()&&0==l.value)return!1;const{fill_alpha:t}=this;return!t.is_Scalar()||0!=t.value}apply(l,t,e){const{doit:i}=this;return i&&(this.set_vectorize(l,t),l.fill(e)),i}values(l){return{color:this.fill_color.get(l),alpha:this.fill_alpha.get(l)}}set_vectorize(l,t){const e=this.fill_color.get(t),i=this.fill_alpha.get(t);l.fillStyle=(0,_.color2css)(e,i)}}e.FillVector=u,u.__name__="FillVector",c.prototype.type="fill",c.prototype.attrs=Object.keys(r.Fill),h.prototype.type="fill",h.prototype.attrs=Object.keys(r.FillScalar),u.prototype.type="fill",u.prototype.attrs=Object.keys(r.FillVector)}, +function _(t,e,l,s,_){s();const i=t(1),a=t(47),o=(0,i.__importStar)(t(48)),n=t(22);class h extends a.VisualProperties{get doit(){const t=this.text_color.get_value(),e=this.text_alpha.get_value();return!(null==t||0==e)}values(){return{color:this.text_color.get_value(),alpha:this.text_alpha.get_value(),font:this.text_font.get_value(),font_size:this.text_font_size.get_value(),font_style:this.text_font_style.get_value(),align:this.text_align.get_value(),baseline:this.text_baseline.get_value(),line_height:this.text_line_height.get_value()}}set_value(t){const e=this.text_color.get_value(),l=this.text_alpha.get_value();t.fillStyle=(0,n.color2css)(e,l),t.font=this.font_value(),t.textAlign=this.text_align.get_value(),t.textBaseline=this.text_baseline.get_value()}font_value(){return`${this.text_font_style.get_value()} ${this.text_font_size.get_value()} ${this.text_font.get_value()}`}}l.Text=h,h.__name__="Text";class x extends a.VisualUniforms{get doit(){const t=this.text_color.value,e=this.text_alpha.value;return!(0==t||0==e)}values(){return{color:this.text_color.value,alpha:this.text_alpha.value,font:this.text_font.value,font_size:this.text_font_size.value,font_style:this.text_font_style.value,align:this.text_align.value,baseline:this.text_baseline.value,line_height:this.text_line_height.value}}set_value(t){const e=this.text_color.value,l=this.text_alpha.value,s=this.font_value(),_=this.text_align.value,i=this.text_baseline.value;t.fillStyle=(0,n.color2css)(e,l),t.font=s,t.textAlign=_,t.textBaseline=i}font_value(){return`${this.text_font_style.value} ${this.text_font_size.value} ${this.text_font.value}`}}l.TextScalar=x,x.__name__="TextScalar";class u extends a.VisualUniforms{values(t){return{color:this.text_color.get(t),alpha:this.text_alpha.get(t),font:this.text_font.get(t),font_size:this.text_font_size.get(t),font_style:this.text_font_style.get(t),align:this.text_align.get(t),baseline:this.text_baseline.get(t),line_height:this.text_line_height.get(t)}}get doit(){const{text_color:t}=this;if(t.is_Scalar()&&0==t.value)return!1;const{text_alpha:e}=this;return!e.is_Scalar()||0!=e.value}set_vectorize(t,e){const l=this.text_color.get(e),s=this.text_alpha.get(e),_=this.font_value(e),i=this.text_align.get(e),a=this.text_baseline.get(e);t.fillStyle=(0,n.color2css)(l,s),t.font=_,t.textAlign=i,t.textBaseline=a}font_value(t){return`${this.text_font_style.get(t)} ${this.text_font_size.get(t)} ${this.text_font.get(t)}`}}l.TextVector=u,u.__name__="TextVector",h.prototype.type="text",h.prototype.attrs=Object.keys(o.Text),x.prototype.type="text",x.prototype.attrs=Object.keys(o.TextScalar),u.prototype.type="text",u.prototype.attrs=Object.keys(o.TextVector)}, +function _(t,e,a,r,i){r();const h=t(1),s=t(47),n=t(52),c=(0,h.__importStar)(t(18)),_=(0,h.__importStar)(t(48));class l extends s.VisualProperties{constructor(){super(...arguments),this._update_iteration=0}update(){if(this._update_iteration++,this._hatch_image=null,!this.doit)return;const t=this.hatch_color.get_value(),e=this.hatch_alpha.get_value(),a=this.hatch_scale.get_value(),r=this.hatch_pattern.get_value(),i=this.hatch_weight.get_value(),h=t=>{this._hatch_image=t},s=this.hatch_extra.get_value()[r];if(null!=s){const r=s.get_pattern(t,e,a,i);if(r instanceof Promise){const{_update_iteration:t}=this;r.then((e=>{this._update_iteration==t&&(h(e),this.obj.request_render())}))}else h(r)}else{const s=this.obj.canvas.create_layer(),c=(0,n.get_pattern)(s,r,t,e,a,i);h(c)}}get doit(){const t=this.hatch_color.get_value(),e=this.hatch_alpha.get_value(),a=this.hatch_pattern.get_value();return!(null==t||0==e||" "==a||"blank"==a||null==a)}apply(t,e){const{doit:a}=this;return a&&(this.set_value(t),t.layer.undo_transform((()=>t.fill(e)))),a}set_value(t){const e=this.pattern(t);t.fillStyle=null!=e?e:"transparent"}pattern(t){const e=this._hatch_image;return null==e?null:t.createPattern(e,this.repetition())}repetition(){const t=this.hatch_pattern.get_value(),e=this.hatch_extra.get_value()[t];if(null==e)return"repeat";switch(e.repetition){case"repeat":return"repeat";case"repeat_x":return"repeat-x";case"repeat_y":return"repeat-y";case"no_repeat":return"no-repeat"}}}a.Hatch=l,l.__name__="Hatch";class o extends s.VisualUniforms{constructor(){super(...arguments),this._static_doit=!1,this._update_iteration=0}_compute_static_doit(){const t=this.hatch_color.value,e=this.hatch_alpha.value,a=this.hatch_pattern.value;return!(null==t||0==e||" "==a||"blank"==a||null==a)}update(){this._update_iteration++;const t=this.hatch_color.length;if(this._hatch_image=new c.UniformScalar(null,t),this._static_doit=this._compute_static_doit(),!this._static_doit)return;const e=this.hatch_color.value,a=this.hatch_alpha.value,r=this.hatch_scale.value,i=this.hatch_pattern.value,h=this.hatch_weight.value,s=e=>{this._hatch_image=new c.UniformScalar(e,t)},_=this.hatch_extra.value[i];if(null!=_){const t=_.get_pattern(e,a,r,h);if(t instanceof Promise){const{_update_iteration:e}=this;t.then((t=>{this._update_iteration==e&&(s(t),this.obj.request_render())}))}else s(t)}else{const t=this.obj.canvas.create_layer(),c=(0,n.get_pattern)(t,i,e,a,r,h);s(c)}}get doit(){return this._static_doit}apply(t,e){const{doit:a}=this;return a&&(this.set_value(t),t.layer.undo_transform((()=>t.fill(e)))),a}set_value(t){var e;t.fillStyle=null!==(e=this.pattern(t))&&void 0!==e?e:"transparent"}pattern(t){const e=this._hatch_image.value;return null==e?null:t.createPattern(e,this.repetition())}repetition(){const t=this.hatch_pattern.value,e=this.hatch_extra.value[t];if(null==e)return"repeat";switch(e.repetition){case"repeat":return"repeat";case"repeat_x":return"repeat-x";case"repeat_y":return"repeat-y";case"no_repeat":return"no-repeat"}}}a.HatchScalar=o,o.__name__="HatchScalar";class u extends s.VisualUniforms{constructor(){super(...arguments),this._static_doit=!1,this._update_iteration=0}_compute_static_doit(){const{hatch_color:t}=this;if(t.is_Scalar()&&0==t.value)return!1;const{hatch_alpha:e}=this;if(e.is_Scalar()&&0==e.value)return!1;const{hatch_pattern:a}=this;if(a.is_Scalar()){const t=a.value;if(" "==t||"blank"==t||null==t)return!1}return!0}update(){this._update_iteration++;const t=this.hatch_color.length;if(this._hatch_image=new c.UniformScalar(null,t),this._static_doit=this._compute_static_doit(),!this._static_doit)return;const e=(t,e,a,r,i,h)=>{const s=this.hatch_extra.value[t];if(null!=s){const t=s.get_pattern(e,a,r,i);if(t instanceof Promise){const{_update_iteration:e}=this;t.then((t=>{this._update_iteration==e&&(h(t),this.obj.request_render())}))}else h(t)}else{const s=this.obj.canvas.create_layer(),c=(0,n.get_pattern)(s,t,e,a,r,i);h(c)}};if(this.hatch_color.is_Scalar()&&this.hatch_alpha.is_Scalar()&&this.hatch_scale.is_Scalar()&&this.hatch_pattern.is_Scalar()&&this.hatch_weight.is_Scalar()){const a=this.hatch_color.value,r=this.hatch_alpha.value,i=this.hatch_scale.value;e(this.hatch_pattern.value,a,r,i,this.hatch_weight.value,(e=>{this._hatch_image=new c.UniformScalar(e,t)}))}else{const a=new Array(t);a.fill(null),this._hatch_image=new c.UniformVector(a);for(let r=0;r{a[r]=t}))}}}get doit(){return this._static_doit}apply(t,e,a){const{doit:r}=this;return r&&(this.set_vectorize(t,e),t.layer.undo_transform((()=>t.fill(a)))),r}set_vectorize(t,e){var a;t.fillStyle=null!==(a=this.pattern(t,e))&&void 0!==a?a:"transparent"}pattern(t,e){const a=this._hatch_image.get(e);return null==a?null:t.createPattern(a,this.repetition(e))}repetition(t){const e=this.hatch_pattern.get(t),a=this.hatch_extra.value[e];if(null==a)return"repeat";switch(a.repetition){case"repeat":return"repeat";case"repeat_x":return"repeat-x";case"repeat_y":return"repeat-y";case"no_repeat":return"no-repeat"}}}a.HatchVector=u,u.__name__="HatchVector",l.prototype.type="hatch",l.prototype.attrs=Object.keys(_.Hatch),o.prototype.type="hatch",o.prototype.attrs=Object.keys(_.HatchScalar),u.prototype.type="hatch",u.prototype.attrs=Object.keys(_.HatchVector)}, +function _(e,o,a,s,r){s();const i=e(22);function l(e,o,a){e.moveTo(0,a+.5),e.lineTo(o,a+.5),e.stroke()}function n(e,o,a){e.moveTo(a+.5,0),e.lineTo(a+.5,o),e.stroke()}function t(e,o){e.moveTo(0,o),e.lineTo(o,0),e.stroke(),e.moveTo(0,0),e.lineTo(o,o),e.stroke()}a.hatch_aliases={" ":"blank",".":"dot",o:"ring","-":"horizontal_line","|":"vertical_line","+":"cross",'"':"horizontal_dash",":":"vertical_dash","@":"spiral","/":"right_diagonal_line","\\":"left_diagonal_line",x:"diagonal_cross",",":"right_diagonal_dash","`":"left_diagonal_dash",v:"horizontal_wave",">":"vertical_wave","*":"criss_cross"},a.get_pattern=function(e,o,s,r,c,k){return e.resize(c,c),e.prepare(),function(e,o,s,r,c,k){var _;const T=c,v=T/2,h=v/2,d=(0,i.color2css)(s,r);switch(e.strokeStyle=d,e.fillStyle=d,e.lineCap="square",e.lineWidth=k,null!==(_=a.hatch_aliases[o])&&void 0!==_?_:o){case"blank":break;case"dot":e.arc(v,v,v/2,0,2*Math.PI,!0),e.fill();break;case"ring":e.arc(v,v,v/2,0,2*Math.PI,!0),e.stroke();break;case"horizontal_line":l(e,T,v);break;case"vertical_line":n(e,T,v);break;case"cross":l(e,T,v),n(e,T,v);break;case"horizontal_dash":l(e,v,v);break;case"vertical_dash":n(e,v,v);break;case"spiral":{const o=T/30;e.moveTo(v,v);for(let a=0;a<360;a++){const s=.1*a,r=v+o*s*Math.cos(s),i=v+o*s*Math.sin(s);e.lineTo(r,i)}e.stroke();break}case"right_diagonal_line":e.moveTo(.5-h,T),e.lineTo(h+.5,0),e.stroke(),e.moveTo(h+.5,T),e.lineTo(3*h+.5,0),e.stroke(),e.moveTo(3*h+.5,T),e.lineTo(5*h+.5,0),e.stroke(),e.stroke();break;case"left_diagonal_line":e.moveTo(h+.5,T),e.lineTo(.5-h,0),e.stroke(),e.moveTo(3*h+.5,T),e.lineTo(h+.5,0),e.stroke(),e.moveTo(5*h+.5,T),e.lineTo(3*h+.5,0),e.stroke(),e.stroke();break;case"diagonal_cross":t(e,T);break;case"right_diagonal_dash":e.moveTo(h+.5,3*h+.5),e.lineTo(3*h+.5,h+.5),e.stroke();break;case"left_diagonal_dash":e.moveTo(h+.5,h+.5),e.lineTo(3*h+.5,3*h+.5),e.stroke();break;case"horizontal_wave":e.moveTo(0,h),e.lineTo(v,3*h),e.lineTo(T,h),e.stroke();break;case"vertical_wave":e.moveTo(h,0),e.lineTo(3*h,v),e.lineTo(h,T),e.stroke();break;case"criss_cross":t(e,T),l(e,T,v),n(e,T,v)}}(e.ctx,o,s,r,c,k),e.canvas}}, +function _(e,t,s,n,c){var a;n();const i=e(14),r=e(8),l=e(13),o=e(26),_=e(19);class h extends i.HasProps{constructor(e){super(e)}get is_syncable(){return this.syncable}[o.equals](e,t){return t.eq(this.id,e.id)&&super[o.equals](e,t)}initialize(){super.initialize(),this._js_callbacks=new Map}connect_signals(){super.connect_signals(),this._update_property_callbacks(),this.connect(this.properties.js_property_callbacks.change,(()=>this._update_property_callbacks())),this.connect(this.properties.js_event_callbacks.change,(()=>this._update_event_callbacks())),this.connect(this.properties.subscribed_events.change,(()=>this._update_event_callbacks()))}_process_event(e){var t;for(const s of null!==(t=this.js_event_callbacks[e.event_name])&&void 0!==t?t:[])s.execute(e);null!=this.document&&this.subscribed_events.some((t=>t==e.event_name))&&this.document.event_manager.send_event(e)}trigger_event(e){null!=this.document&&(e.origin=this,this.document.event_manager.trigger(e))}_update_event_callbacks(){null!=this.document?this.document.event_manager.subscribed_models.add(this):_.logger.warn("WARNING: Document not defined for updating event callbacks")}_update_property_callbacks(){const e=e=>{const[t,s=null]=e.split(":");return null!=s?this.properties[s][t]:this[t]};for(const[t,s]of this._js_callbacks){const n=e(t);for(const e of s)this.disconnect(n,e)}this._js_callbacks.clear();for(const[t,s]of(0,l.entries)(this.js_property_callbacks)){const n=s.map((e=>()=>e.execute(this)));this._js_callbacks.set(t,n);const c=e(t);for(const e of n)this.connect(c,e)}}_doc_attached(){(0,l.isEmpty)(this.js_event_callbacks)&&0==this.subscribed_events.length||this._update_event_callbacks()}_doc_detached(){this.document.event_manager.subscribed_models.delete(this)}select(e){if((0,r.isString)(e))return[...this.references()].filter((t=>t instanceof h&&t.name===e));if(e.prototype instanceof i.HasProps)return[...this.references()].filter((t=>t instanceof e));throw new Error("invalid selector")}select_one(e){const t=this.select(e);switch(t.length){case 0:return null;case 1:return t[0];default:throw new Error("found more than one object matching given selector")}}}s.Model=h,a=h,h.__name__="Model",a.define((({Any:e,Unknown:t,Boolean:s,String:n,Array:c,Dict:a,Nullable:i})=>({tags:[c(t),[]],name:[i(n),null],js_property_callbacks:[a(c(e)),{}],js_event_callbacks:[a(c(e)),{}],subscribed_events:[c(n),[]],syncable:[s,!0]})))}, +function _(e,t,s,a,r){var c,n;a();const _=e(12),o=e(53),i=e(55),l=e(59),u=e(61),g=e(62),h=e(57),p=e(63),m=e(67);class x{constructor(e,t){this.x_scale=e,this.y_scale=t,this.x_source=this.x_scale.source_range,this.y_source=this.y_scale.source_range,this.ranges=[this.x_source,this.y_source],this.scales=[this.x_scale,this.y_scale]}map_to_screen(e,t){return[this.x_scale.v_compute(e),this.y_scale.v_compute(t)]}map_from_screen(e,t){return[this.x_scale.v_invert(e),this.y_scale.v_invert(t)]}}s.CoordinateTransform=x,x.__name__="CoordinateTransform";class y extends o.Model{constructor(e){super(e)}get x_ranges(){return new Map([["default",this.x_source]])}get y_ranges(){return new Map([["default",this.y_source]])}_get_scale(e,t,s){if(e instanceof m.FactorRange!=t instanceof g.CategoricalScale)throw new Error(`Range ${e.type} is incompatible is Scale ${t.type}`);t instanceof u.LogScale&&e instanceof p.DataRange1d&&(e.scale_hint="log");const a=t.clone();return a.setv({source_range:e,target_range:s}),a}get_transform(e){const{x_source:t,x_scale:s,x_target:a}=this,r=this._get_scale(t,s,a),{y_source:c,y_scale:n,y_target:_}=this,o=this._get_scale(c,n,_),i=new v({source_scale:r,source_range:r.source_range,target_scale:e.x_scale,target_range:e.x_target}),l=new v({source_scale:o,source_range:o.source_range,target_scale:e.y_scale,target_range:e.y_target});return new x(i,l)}}s.CoordinateMapping=y,c=y,y.__name__="CoordinateMapping",c.define((({Ref:e})=>({x_source:[e(h.Range),()=>new p.DataRange1d],y_source:[e(h.Range),()=>new p.DataRange1d],x_scale:[e(i.Scale),()=>new l.LinearScale],y_scale:[e(i.Scale),()=>new l.LinearScale],x_target:[e(h.Range)],y_target:[e(h.Range)]})));class v extends i.Scale{constructor(e){super(e)}get s_compute(){const e=this.source_scale.s_compute,t=this.target_scale.s_compute;return s=>t(e(s))}get s_invert(){const e=this.source_scale.s_invert,t=this.target_scale.s_invert;return s=>e(t(s))}compute(e){return this.s_compute(e)}v_compute(e){const{s_compute:t}=this;return(0,_.map)(e,t)}invert(e){return this.s_invert(e)}v_invert(e){const{s_invert:t}=this;return(0,_.map)(e,t)}}s.CompositeScale=v,n=v,v.__name__="CompositeScale",n.internal((({Ref:e})=>({source_scale:[e(i.Scale)],target_scale:[e(i.Scale)]})))}, +function _(e,t,r,n,s){var _;n();const a=e(56),c=e(57),o=e(58),i=e(24);class u extends a.Transform{constructor(e){super(e)}compute(e){return this.s_compute(e)}v_compute(e){const t=new i.ScreenArray(e.length),{s_compute:r}=this;for(let n=0;n({source_range:[e(c.Range)],target_range:[e(o.Range1d)]})))}, +function _(n,s,o,r,c){r();const e=n(53);class t extends e.Model{constructor(n){super(n)}}o.Transform=t,t.__name__="Transform"}, +function _(e,t,n,i,s){var r;i();const a=e(53);class l extends a.Model{constructor(e){super(e),this.have_updated_interactively=!1}get is_reversed(){return this.start>this.end}get is_valid(){return isFinite(this.min)&&isFinite(this.max)}get span(){return Math.abs(this.end-this.start)}}n.Range=l,r=l,l.__name__="Range",r.define((({Number:e,Tuple:t,Or:n,Auto:i,Nullable:s})=>({bounds:[s(n(t(s(e),s(e)),i)),null],min_interval:[s(e),null],max_interval:[s(e),null]}))),r.internal((({Array:e,AnyRef:t})=>({plots:[e(t()),[]]})))}, +function _(t,e,s,n,r){var a;n();const i=t(57);class _ extends i.Range{constructor(t){super(t)}_set_auto_bounds(){if("auto"==this.bounds){const t=Math.min(this._reset_start,this._reset_end),e=Math.max(this._reset_start,this._reset_end);this.setv({bounds:[t,e]},{silent:!0})}}initialize(){super.initialize(),this._set_auto_bounds()}get min(){return Math.min(this.start,this.end)}get max(){return Math.max(this.start,this.end)}reset(){this._set_auto_bounds();const{_reset_start:t,_reset_end:e}=this;this.start!=t||this.end!=e?this.setv({start:t,end:e}):this.change.emit()}map(t){return new _({start:t(this.start),end:t(this.end)})}widen(t){let{start:e,end:s}=this;return this.is_reversed?(e+=t,s-=t):(e-=t,s+=t),new _({start:e,end:s})}}s.Range1d=_,a=_,_.__name__="Range1d",a.define((({Number:t,Nullable:e})=>({start:[t,0],end:[t,1],reset_start:[e(t),null,{on_update(t,e){e._reset_start=null!=t?t:e.start}}],reset_end:[e(t),null,{on_update(t,e){e._reset_end=null!=t?t:e.end}}]})))}, +function _(t,e,n,r,s){r();const a=t(60);class _ extends a.ContinuousScale{constructor(t){super(t)}get s_compute(){const[t,e]=this._linear_compute_state();return n=>t*n+e}get s_invert(){const[t,e]=this._linear_compute_state();return n=>(n-e)/t}_linear_compute_state(){const t=this.source_range.start,e=this.source_range.end,n=this.target_range.start,r=(this.target_range.end-n)/(e-t);return[r,-r*t+n]}}n.LinearScale=_,_.__name__="LinearScale"}, +function _(n,c,o,s,e){s();const t=n(55);class u extends t.Scale{constructor(n){super(n)}}o.ContinuousScale=u,u.__name__="ContinuousScale"}, +function _(t,e,a,o,s){o();const r=t(60);class n extends r.ContinuousScale{constructor(t){super(t)}get s_compute(){const[t,e,a,o]=this._compute_state();return s=>{if(0==a)return 0;{const r=(Math.log(s)-o)/a;return isFinite(r)?r*t+e:NaN}}}get s_invert(){const[t,e,a,o]=this._compute_state();return s=>{const r=(s-e)/t;return Math.exp(a*r+o)}}_get_safe_factor(t,e){let a=t<0?0:t,o=e<0?0:e;if(a==o)if(0==a)[a,o]=[1,10];else{const t=Math.log(a)/Math.log(10);a=10**Math.floor(t),o=Math.ceil(t)!=Math.floor(t)?10**Math.ceil(t):10**(Math.ceil(t)+1)}return[a,o]}_compute_state(){const t=this.source_range.start,e=this.source_range.end,a=this.target_range.start,o=this.target_range.end-a,[s,r]=this._get_safe_factor(t,e);let n,c;0==s?(n=Math.log(r),c=0):(n=Math.log(r)-Math.log(s),c=Math.log(s));return[o,a,n,c]}}a.LogScale=n,n.__name__="LogScale"}, +function _(t,e,c,a,s){a();const n=t(55),r=t(59),{_linear_compute_state:o}=r.LinearScale.prototype;class l extends n.Scale{constructor(t){super(t)}get s_compute(){const[t,e]=o.call(this),c=this.source_range;return a=>t*c.synthetic(a)+e}get s_invert(){const[t,e]=o.call(this);return c=>(c-e)/t}}c.CategoricalScale=l,l.__name__="CategoricalScale"}, +function _(t,i,n,e,a){e();const s=t(1);var l;const _=t(64),o=t(20),r=t(9),h=t(19),d=(0,s.__importStar)(t(65)),u=t(66);class g extends _.DataRange{constructor(t){super(t),this.have_updated_interactively=!1}initialize(){super.initialize(),this._initial_start=this.start,this._initial_end=this.end,this._initial_range_padding=this.range_padding,this._initial_range_padding_units=this.range_padding_units,this._initial_follow=this.follow,this._initial_follow_interval=this.follow_interval,this._initial_default_span=this.default_span,this._plot_bounds=new Map}get min(){return Math.min(this.start,this.end)}get max(){return Math.max(this.start,this.end)}computed_renderers(){const{renderers:t,names:i}=this,n=(0,r.concat)(this.plots.map((t=>t.data_renderers)));return(0,u.compute_renderers)(0==t.length?"auto":t,n,i)}_compute_plot_bounds(t,i){let n=d.empty();for(const e of t){const t=i.get(e);null==t||!e.visible&&this.only_visible||(n=d.union(n,t))}return n}adjust_bounds_for_aspect(t,i){const n=d.empty();let e=t.x1-t.x0;e<=0&&(e=1);let a=t.y1-t.y0;a<=0&&(a=1);const s=.5*(t.x1+t.x0),l=.5*(t.y1+t.y0);return el&&("start"==this.follow?a=e+s*l:"end"==this.follow&&(e=a-s*l)),[e,a]}update(t,i,n,e){if(this.have_updated_interactively)return;const a=this.computed_renderers();let s=this._compute_plot_bounds(a,t);null!=e&&(s=this.adjust_bounds_for_aspect(s,e)),this._plot_bounds.set(n,s);const[l,_]=this._compute_min_max(this._plot_bounds.entries(),i);let[o,r]=this._compute_range(l,_);null!=this._initial_start&&("log"==this.scale_hint?this._initial_start>0&&(o=this._initial_start):o=this._initial_start),null!=this._initial_end&&("log"==this.scale_hint?this._initial_end>0&&(r=this._initial_end):r=this._initial_end);let h=!1;"auto"==this.bounds&&(this.setv({bounds:[o,r]},{silent:!0}),h=!0);const[d,u]=[this.start,this.end];if(o!=d||r!=u){const t={};o!=d&&(t.start=o),r!=u&&(t.end=r),this.setv(t),h=!1}h&&this.change.emit()}reset(){this.have_updated_interactively=!1,this.setv({range_padding:this._initial_range_padding,range_padding_units:this._initial_range_padding_units,follow:this._initial_follow,follow_interval:this._initial_follow_interval,default_span:this._initial_default_span},{silent:!0}),this.change.emit()}}n.DataRange1d=g,l=g,g.__name__="DataRange1d",l.define((({Boolean:t,Number:i,Nullable:n})=>({start:[i],end:[i],range_padding:[i,.1],range_padding_units:[o.PaddingUnits,"percent"],flipped:[t,!1],follow:[n(o.StartEnd),null],follow_interval:[n(i),null],default_span:[i,2],only_visible:[t,!1]}))),l.internal((({Enum:t})=>({scale_hint:[t("log","auto"),"auto"]})))}, +function _(e,n,a,r,s){var t;r();const c=e(57);class _ extends c.Range{constructor(e){super(e)}}a.DataRange=_,t=_,_.__name__="DataRange",t.define((({String:e,Array:n,AnyRef:a})=>({names:[n(e),[]],renderers:[n(a()),[]]})))}, +function _(t,i,e,h,r){h();const s=t(24),n=t(26),{min:x,max:y}=Math;e.empty=function(){return{x0:1/0,y0:1/0,x1:-1/0,y1:-1/0}},e.positive_x=function(){return{x0:Number.MIN_VALUE,y0:-1/0,x1:1/0,y1:1/0}},e.positive_y=function(){return{x0:-1/0,y0:Number.MIN_VALUE,x1:1/0,y1:1/0}},e.union=function(t,i){return{x0:x(t.x0,i.x0),x1:y(t.x1,i.x1),y0:x(t.y0,i.y0),y1:y(t.y1,i.y1)}};class o{constructor(t){if(null==t)this.x0=0,this.y0=0,this.x1=0,this.y1=0;else if("x0"in t){const{x0:i,y0:e,x1:h,y1:r}=t;if(!(i<=h&&e<=r))throw new Error(`invalid bbox {x0: ${i}, y0: ${e}, x1: ${h}, y1: ${r}}`);this.x0=i,this.y0=e,this.x1=h,this.y1=r}else if("x"in t){const{x:i,y:e,width:h,height:r}=t;if(!(h>=0&&r>=0))throw new Error(`invalid bbox {x: ${i}, y: ${e}, width: ${h}, height: ${r}}`);this.x0=i,this.y0=e,this.x1=i+h,this.y1=e+r}else{let i,e,h,r;if("width"in t)if("left"in t)i=t.left,e=i+t.width;else if("right"in t)e=t.right,i=e-t.width;else{const h=t.width/2;i=t.hcenter-h,e=t.hcenter+h}else i=t.left,e=t.right;if("height"in t)if("top"in t)h=t.top,r=h+t.height;else if("bottom"in t)r=t.bottom,h=r-t.height;else{const i=t.height/2;h=t.vcenter-i,r=t.vcenter+i}else h=t.top,r=t.bottom;if(!(i<=e&&h<=r))throw new Error(`invalid bbox {left: ${i}, top: ${h}, right: ${e}, bottom: ${r}}`);this.x0=i,this.y0=h,this.x1=e,this.y1=r}}static from_rect({left:t,right:i,top:e,bottom:h}){return new o({x0:Math.min(t,i),y0:Math.min(e,h),x1:Math.max(t,i),y1:Math.max(e,h)})}equals(t){return this.x0==t.x0&&this.y0==t.y0&&this.x1==t.x1&&this.y1==t.y1}[n.equals](t,i){return i.eq(this.x0,t.x0)&&i.eq(this.y0,t.y0)&&i.eq(this.x1,t.x1)&&i.eq(this.y1,t.y1)}toString(){return`BBox({left: ${this.left}, top: ${this.top}, width: ${this.width}, height: ${this.height}})`}get left(){return this.x0}get top(){return this.y0}get right(){return this.x1}get bottom(){return this.y1}get p0(){return[this.x0,this.y0]}get p1(){return[this.x1,this.y1]}get x(){return this.x0}get y(){return this.y0}get width(){return this.x1-this.x0}get height(){return this.y1-this.y0}get size(){return{width:this.width,height:this.height}}get rect(){const{x0:t,y0:i,x1:e,y1:h}=this;return{p0:{x:t,y:i},p1:{x:e,y:i},p2:{x:e,y:h},p3:{x:t,y:h}}}get box(){const{x:t,y:i,width:e,height:h}=this;return{x:t,y:i,width:e,height:h}}get h_range(){return{start:this.x0,end:this.x1}}get v_range(){return{start:this.y0,end:this.y1}}get ranges(){return[this.h_range,this.v_range]}get aspect(){return this.width/this.height}get hcenter(){return(this.left+this.right)/2}get vcenter(){return(this.top+this.bottom)/2}get area(){return this.width*this.height}relative(){const{width:t,height:i}=this;return new o({x:0,y:0,width:t,height:i})}translate(t,i){const{x:e,y:h,width:r,height:s}=this;return new o({x:t+e,y:i+h,width:r,height:s})}relativize(t,i){return[t-this.x,i-this.y]}contains(t,i){return this.x0<=t&&t<=this.x1&&this.y0<=i&&i<=this.y1}clip(t,i){return tthis.x1&&(t=this.x1),ithis.y1&&(i=this.y1),[t,i]}grow_by(t){return new o({left:this.left-t,right:this.right+t,top:this.top-t,bottom:this.bottom+t})}shrink_by(t){return new o({left:this.left+t,right:this.right-t,top:this.top+t,bottom:this.bottom-t})}union(t){return new o({x0:x(this.x0,t.x0),y0:x(this.y0,t.y0),x1:y(this.x1,t.x1),y1:y(this.y1,t.y1)})}intersection(t){return this.intersects(t)?new o({x0:y(this.x0,t.x0),y0:y(this.y0,t.y0),x1:x(this.x1,t.x1),y1:x(this.y1,t.y1)}):null}intersects(t){return!(t.x1this.x1||t.y1this.y1)}get xview(){return{compute:t=>this.left+t,v_compute:t=>{const i=new s.ScreenArray(t.length),e=this.left;for(let h=0;hthis.bottom-t,v_compute:t=>{const i=new s.ScreenArray(t.length),e=this.bottom;for(let h=0;h0&&(r=r.filter((n=>(0,l.includes)(t,n.name)))),r}}, +function _(t,n,e,i,s){var r;i();const a=t(57),o=t(20),g=t(21),p=t(24),c=t(9),l=t(8),u=t(11);function h(t,n,e=0){const i=new Map;for(let s=0;sa.get(t).value)));r.set(t,{value:l/s,mapping:a}),o+=s+n+p}return[r,(a.size-1)*n+g]}function _(t,n,e,i,s=0){var r;const a=new Map,o=new Map;for(const[n,e,i]of t){const t=null!==(r=o.get(n))&&void 0!==r?r:[];o.set(n,[...t,[e,i]])}let g=s,p=0;for(const[t,s]of o){const r=s.length,[o,l]=d(s,e,i,g);p+=l;const u=(0,c.sum)(s.map((([t])=>o.get(t).value)));a.set(t,{value:u/r,mapping:o}),g+=r+n+l}return[a,(o.size-1)*n+p]}e.Factor=(0,g.Or)(g.String,(0,g.Tuple)(g.String,g.String),(0,g.Tuple)(g.String,g.String,g.String)),e.FactorSeq=(0,g.Or)((0,g.Array)(g.String),(0,g.Array)((0,g.Tuple)(g.String,g.String)),(0,g.Array)((0,g.Tuple)(g.String,g.String,g.String))),e.map_one_level=h,e.map_two_levels=d,e.map_three_levels=_;class f extends a.Range{constructor(t){super(t)}get min(){return this.start}get max(){return this.end}initialize(){super.initialize(),this._init(!0)}connect_signals(){super.connect_signals(),this.connect(this.properties.factors.change,(()=>this.reset())),this.connect(this.properties.factor_padding.change,(()=>this.reset())),this.connect(this.properties.group_padding.change,(()=>this.reset())),this.connect(this.properties.subgroup_padding.change,(()=>this.reset())),this.connect(this.properties.range_padding.change,(()=>this.reset())),this.connect(this.properties.range_padding_units.change,(()=>this.reset()))}reset(){this._init(!1),this.change.emit()}_lookup(t){switch(t.length){case 1:{const[n]=t,e=this._mapping.get(n);return null!=e?e.value:NaN}case 2:{const[n,e]=t,i=this._mapping.get(n);if(null!=i){const t=i.mapping.get(e);if(null!=t)return t.value}return NaN}case 3:{const[n,e,i]=t,s=this._mapping.get(n);if(null!=s){const t=s.mapping.get(e);if(null!=t){const n=t.mapping.get(i);if(null!=n)return n.value}}return NaN}default:(0,u.unreachable)()}}synthetic(t){if((0,l.isNumber)(t))return t;if((0,l.isString)(t))return this._lookup([t]);let n=0;const e=t[t.length-1];return(0,l.isNumber)(e)&&(n=e,t=t.slice(0,-1)),this._lookup(t)+n}v_synthetic(t){const n=t.length,e=new p.ScreenArray(n);for(let i=0;i{if((0,c.every)(this.factors,l.isString)){const t=this.factors,[n,e]=h(t,this.factor_padding);return{levels:1,mapping:n,tops:null,mids:null,inside_padding:e}}if((0,c.every)(this.factors,(t=>(0,l.isArray)(t)&&2==t.length&&(0,l.isString)(t[0])&&(0,l.isString)(t[1])))){const t=this.factors,[n,e]=d(t,this.group_padding,this.factor_padding),i=[...n.keys()];return{levels:2,mapping:n,tops:i,mids:null,inside_padding:e}}if((0,c.every)(this.factors,(t=>(0,l.isArray)(t)&&3==t.length&&(0,l.isString)(t[0])&&(0,l.isString)(t[1])&&(0,l.isString)(t[2])))){const t=this.factors,[n,e]=_(t,this.group_padding,this.subgroup_padding,this.factor_padding),i=[...n.keys()],s=[];for(const[t,e]of n)for(const n of e.mapping.keys())s.push([t,n]);return{levels:3,mapping:n,tops:i,mids:s,inside_padding:e}}(0,u.unreachable)()})();this._mapping=e,this.tops=i,this.mids=s;let a=0,o=this.factors.length+r;if("percent"==this.range_padding_units){const t=(o-a)*this.range_padding/2;a-=t,o+=t}else a-=this.range_padding,o+=this.range_padding;this.setv({start:a,end:o,levels:n},{silent:t}),"auto"==this.bounds&&this.setv({bounds:[a,o]},{silent:!0})}}e.FactorRange=f,r=f,f.__name__="FactorRange",r.define((({Number:t})=>({factors:[e.FactorSeq,[]],factor_padding:[t,0],subgroup_padding:[t,.8],group_padding:[t,1.4],range_padding:[t,0],range_padding_units:[o.PaddingUnits,"percent"],start:[t],end:[t]}))),r.internal((({Number:t,String:n,Array:e,Tuple:i,Nullable:s})=>({levels:[t],mids:[s(e(i(n,n))),null],tops:[s(e(n)),null]})))}, +function _(t,e,s,a,i){a();const n=t(1);var _;const r=t(69),o=t(112),l=t(48),d=t(20),h=t(24),c=t(113),u=(0,n.__importStar)(t(18)),v=t(10);class p extends r.DataAnnotationView{async lazy_initialize(){await super.lazy_initialize();const{start:t,end:e}=this.model;null!=t&&(this.start=await(0,c.build_view)(t,{parent:this})),null!=e&&(this.end=await(0,c.build_view)(e,{parent:this}))}set_data(t){var e,s;super.set_data(t),null===(e=this.start)||void 0===e||e.set_data(t),null===(s=this.end)||void 0===s||s.set_data(t)}remove(){var t,e;null===(t=this.start)||void 0===t||t.remove(),null===(e=this.end)||void 0===e||e.remove(),super.remove()}map_data(){const{frame:t}=this.plot_view;"data"==this.model.start_units?(this._sx_start=this.coordinates.x_scale.v_compute(this._x_start),this._sy_start=this.coordinates.y_scale.v_compute(this._y_start)):(this._sx_start=t.bbox.xview.v_compute(this._x_start),this._sy_start=t.bbox.yview.v_compute(this._y_start)),"data"==this.model.end_units?(this._sx_end=this.coordinates.x_scale.v_compute(this._x_end),this._sy_end=this.coordinates.y_scale.v_compute(this._y_end)):(this._sx_end=t.bbox.xview.v_compute(this._x_end),this._sy_end=t.bbox.yview.v_compute(this._y_end));const{_sx_start:e,_sy_start:s,_sx_end:a,_sy_end:i}=this,n=e.length,_=this._angles=new h.ScreenArray(n);for(let t=0;t({x_start:[u.XCoordinateSpec,{field:"x_start"}],y_start:[u.YCoordinateSpec,{field:"y_start"}],start_units:[d.SpatialUnits,"data"],start:[e(t(o.ArrowHead)),null],x_end:[u.XCoordinateSpec,{field:"x_end"}],y_end:[u.YCoordinateSpec,{field:"y_end"}],end_units:[d.SpatialUnits,"data"],end:[e(t(o.ArrowHead)),()=>new o.OpenHead]})))}, +function _(t,e,n,s,a){s();const o=t(1);var i;const c=t(40),r=t(70),_=t(75),l=t(78),h=(0,o.__importStar)(t(18));class d extends c.AnnotationView{constructor(){super(...arguments),this._initial_set_data=!1}connect_signals(){super.connect_signals();const t=()=>{this.set_data(this.model.source),this._rerender()};this.connect(this.model.change,t),this.connect(this.model.source.streaming,t),this.connect(this.model.source.patching,t),this.connect(this.model.source.change,t)}_rerender(){this.request_render()}set_data(t){const e=this;for(const n of this.model)if(n instanceof h.VectorSpec||n instanceof h.ScalarSpec)if(n instanceof h.BaseCoordinateSpec){const 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_.UnionRenderers]}))),i.internal((({AnyRef:t})=>({inspected:[t(),()=>new d.Selection]})))}, +function _(e,c,n,t,o){var a;t();const s=e(53),r=e(72);class l extends s.Model{constructor(e){super(e)}}n.DataSource=l,a=l,l.__name__="DataSource",a.define((({Ref:e})=>({selected:[e(r.Selection),()=>new r.Selection]})))}, +function _(i,e,s,t,n){var l;t();const c=i(53),d=i(9),h=i(13);class _ extends c.Model{constructor(i){super(i)}get_view(){return this.view}get selected_glyph(){return 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0==this.indices.length&&0==this.line_indices.length&&0==this.image_indices.length}update_through_union(i){this.indices=(0,d.union)(this.indices,i.indices),this.selected_glyphs=(0,d.union)(i.selected_glyphs,this.selected_glyphs),this.line_indices=(0,d.union)(i.line_indices,this.line_indices),this.view=i.view,this.multiline_indices=(0,h.merge)(i.multiline_indices,this.multiline_indices)}update_through_intersection(i){this.indices=(0,d.intersection)(this.indices,i.indices),this.selected_glyphs=(0,d.union)(i.selected_glyphs,this.selected_glyphs),this.line_indices=(0,d.union)(i.line_indices,this.line_indices),this.view=i.view,this.multiline_indices=(0,h.merge)(i.multiline_indices,this.multiline_indices)}update_through_subtraction(i){this.indices=(0,d.difference)(this.indices,i.indices),this.selected_glyphs=(0,d.union)(i.selected_glyphs,this.selected_glyphs),this.line_indices=(0,d.union)(i.line_indices,this.line_indices),this.view=i.view,this.multiline_indices=(0,h.merge)(i.multiline_indices,this.multiline_indices)}}s.Selection=_,l=_,_.__name__="Selection",l.define((({Int:i,Array:e,Dict:s})=>({indices:[e(i),[]],line_indices:[e(i),[]],multiline_indices:[s(e(i)),{}]}))),l.internal((({Int:i,Array:e,AnyRef:s,Struct:t,Nullable:n})=>({selected_glyphs:[e(s()),[]],view:[n(s()),null],image_indices:[e(t({index:i,dim1:i,dim2:i,flat_index:i})),[]]})))}, 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o}clear(e){this.source.selected.clear(),null!=e&&this.get_or_create_inspector(e.model).clear()}get_or_create_inspector(e){let t=this.inspectors.get(e);return null==t&&(t=new n.Selection,this.inspectors.set(e,t)),t}}o.SelectionManager=r,r.__name__="SelectionManager"}, +function _(e,t,n,s,o){s();const r=e(53);class c extends r.Model{do_selection(e,t,n,s){return null!=e&&(t.selected.update(e,n,s),t._select.emit(),!t.selected.is_empty())}}n.SelectionPolicy=c,c.__name__="SelectionPolicy";class l extends c{hit_test(e,t){const n=[];for(const s of t){const t=s.hit_test(e);null!=t&&n.push(t)}if(n.length>0){const e=n[0];for(const t of n)e.update_through_intersection(t);return e}return null}}n.IntersectRenderers=l,l.__name__="IntersectRenderers";class _ extends c{hit_test(e,t){const n=[];for(const s of t){const t=s.hit_test(e);null!=t&&n.push(t)}if(n.length>0){const e=n[0];for(const t of n)e.update_through_union(t);return e}return null}}n.UnionRenderers=_,_.__name__="UnionRenderers"}, +function 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t,a=Object.keys(e),n=r.toLowerCase().replace(o,""),f=-1;++f0?90:-90),e.lat_ts=e.lat1)}(n),n}}, +function _(t,e,r,i,s){i(),r.default=function(t){return new d(t).output()};var h=/\s/,o=/[A-Za-z]/,n=/[A-Za-z84]/,a=/[,\]]/,u=/[\d\.E\-\+]/;function d(t){if("string"!=typeof t)throw new Error("not a string");this.text=t.trim(),this.level=0,this.place=0,this.root=null,this.stack=[],this.currentObject=null,this.state=1}d.prototype.readCharicter=function(){var t=this.text[this.place++];if(4!==this.state)for(;h.test(t);){if(this.place>=this.text.length)return;t=this.text[this.place++]}switch(this.state){case 1:return this.neutral(t);case 2:return this.keyword(t);case 4:return this.quoted(t);case 5:return this.afterquote(t);case 3:return this.number(t);case-1:return}},d.prototype.afterquote=function(t){if('"'===t)return this.word+='"',void(this.state=4);if(a.test(t))return this.word=this.word.trim(),void this.afterItem(t);throw new Error("havn't handled \""+t+'" in afterquote yet, index '+this.place)},d.prototype.afterItem=function(t){return","===t?(null!==this.word&&this.currentObject.push(this.word),this.word=null,void(this.state=1)):"]"===t?(this.level--,null!==this.word&&(this.currentObject.push(this.word),this.word=null),this.state=1,this.currentObject=this.stack.pop(),void(this.currentObject||(this.state=-1))):void 0},d.prototype.number=function(t){if(!u.test(t)){if(a.test(t))return this.word=parseFloat(this.word),void this.afterItem(t);throw new Error("havn't handled \""+t+'" in number yet, index '+this.place)}this.word+=t},d.prototype.quoted=function(t){'"'!==t?this.word+=t:this.state=5},d.prototype.keyword=function(t){if(n.test(t))this.word+=t;else{if("["===t){var e=[];return e.push(this.word),this.level++,null===this.root?this.root=e:this.currentObject.push(e),this.stack.push(this.currentObject),this.currentObject=e,void(this.state=1)}if(!a.test(t))throw new Error("havn't handled \""+t+'" in keyword yet, index '+this.place);this.afterItem(t)}},d.prototype.neutral=function(t){if(o.test(t))return this.word=t,void(this.state=2);if('"'===t)return this.word="",void(this.state=4);if(u.test(t))return this.word=t,void(this.state=3);if(!a.test(t))throw new Error("havn't handled \""+t+'" in neutral yet, index '+this.place);this.afterItem(t)},d.prototype.output=function(){for(;this.place90&&a*o.R2D<-90&&h*o.R2D>180&&h*o.R2D<-180)return null;if(Math.abs(Math.abs(a)-o.HALF_PI)<=o.EPSLN)return null;if(this.sphere)i=this.x0+this.a*this.k0*(0,n.default)(h-this.long0),s=this.y0+this.a*this.k0*Math.log(Math.tan(o.FORTPI+.5*a));else{var e=Math.sin(a),r=(0,l.default)(this.e,a,e);i=this.x0+this.a*this.k0*(0,n.default)(h-this.long0),s=this.y0-this.a*this.k0*Math.log(r)}return t.x=i,t.y=s,t}function M(t){var i,s,h=t.x-this.x0,a=t.y-this.y0;if(this.sphere)s=o.HALF_PI-2*Math.atan(Math.exp(-a/(this.a*this.k0)));else{var e=Math.exp(-a/(this.a*this.k0));if(-9999===(s=(0,u.default)(this.e,e)))return null}return i=(0,n.default)(this.long0+h/(this.a*this.k0)),t.x=i,t.y=s,t}s.init=f,s.forward=_,s.inverse=M,s.names=["Mercator","Popular Visualisation Pseudo Mercator","Mercator_1SP","Mercator_Auxiliary_Sphere","merc"],s.default={init:f,forward:_,inverse:M,names:s.names}}, +function _(t,n,r,u,a){u(),r.default=function(t,n,r){var u=t*n;return r/Math.sqrt(1-u*u)}}, +function _(t,n,u,a,f){a();const e=t(1),o=t(85),_=(0,e.__importDefault)(t(97));u.default=function(t){return Math.abs(t)<=o.SPI?t:t-(0,_.default)(t)*o.TWO_PI}}, +function _(n,t,u,f,c){f(),u.default=function(n){return n<0?-1:1}}, +function _(t,n,a,o,u){o();const c=t(85);a.default=function(t,n,a){var o=t*a,u=.5*t;return o=Math.pow((1-o)/(1+o),u),Math.tan(.5*(c.HALF_PI-n))/o}}, +function _(t,a,n,r,f){r();const h=t(85);n.default=function(t,a){for(var n,r,f=.5*t,o=h.HALF_PI-2*Math.atan(a),u=0;u<=15;u++)if(n=t*Math.sin(o),o+=r=h.HALF_PI-2*Math.atan(a*Math.pow((1-n)/(1+n),f))-o,Math.abs(r)<=1e-10)return o;return-9999}}, +function _(n,i,e,t,r){function a(){}function f(n){return n}t(),e.init=a,e.forward=f,e.inverse=f,e.names=["longlat","identity"],e.default={init:a,forward:f,inverse:f,names:e.names}}, +function _(t,r,e,a,n){a();const f=t(1),i=t(85),u=(0,f.__importStar)(t(102)),c=(0,f.__importDefault)(t(88));e.eccentricity=function(t,r,e,a){var n=t*t,f=r*r,u=(n-f)/n,c=0;return a?(n=(t*=1-u*(i.SIXTH+u*(i.RA4+u*i.RA6)))*t,u=0):c=Math.sqrt(u),{es:u,e:c,ep2:(n-f)/f}},e.sphere=function(t,r,e,a,n){if(!t){var f=(0,c.default)(u.default,a);f||(f=u.WGS84),t=f.a,r=f.b,e=f.rf}return e&&!r&&(r=(1-1/e)*t),(0===e||Math.abs(t-r)3&&(0===s.datum_params[3]&&0===s.datum_params[4]&&0===s.datum_params[5]&&0===s.datum_params[6]||(s.datum_type=d.PJD_7PARAM,s.datum_params[3]*=d.SEC_TO_RAD,s.datum_params[4]*=d.SEC_TO_RAD,s.datum_params[5]*=d.SEC_TO_RAD,s.datum_params[6]=s.datum_params[6]/1e6+1))),r&&(s.datum_type=d.PJD_GRIDSHIFT,s.grids=r),s.a=_,s.b=t,s.es=u,s.ep2=p,s}}, +function _(t,e,n,r,i){r();var u={};function l(t){if(0===t.length)return null;var e="@"===t[0];return e&&(t=t.slice(1)),"null"===t?{name:"null",mandatory:!e,grid:null,isNull:!0}:{name:t,mandatory:!e,grid:u[t]||null,isNull:!1}}function o(t){return t/3600*Math.PI/180}function a(t,e,n){return String.fromCharCode.apply(null,new Uint8Array(t.buffer.slice(e,n)))}function d(t){return t.map((function(t){return[o(t.longitudeShift),o(t.latitudeShift)]}))}function g(t,e,n){return{name:a(t,e+8,e+16).trim(),parent:a(t,e+24,e+24+8).trim(),lowerLatitude:t.getFloat64(e+72,n),upperLatitude:t.getFloat64(e+88,n),lowerLongitude:t.getFloat64(e+104,n),upperLongitude:t.getFloat64(e+120,n),latitudeInterval:t.getFloat64(e+136,n),longitudeInterval:t.getFloat64(e+152,n),gridNodeCount:t.getInt32(e+168,n)}}function s(t,e,n,r){for(var i=e+176,u=[],l=0;l1&&console.log("Only single NTv2 subgrids are currently supported, subsequent sub grids are ignored");var l=function(t,e,n){for(var r=176,i=[],u=0;ua.y||f>a.x||N1e-12&&Math.abs(n.y)>1e-12);if(d<0)return console.log("Inverse grid shift iterator failed to converge."),a;a.x=(0,u.default)(l.x+t.ll[0]),a.y=l.y+t.ll[1]}else isNaN(l.x)||(a.x=r.x+l.x,a.y=r.y+l.y);return a}function f(r,e){var t,a={x:r.x/e.del[0],y:r.y/e.del[1]},i=Math.floor(a.x),l=Math.floor(a.y),n=a.x-1*i,o=a.y-1*l,u={x:Number.NaN,y:Number.NaN};if(i<0||i>=e.lim[0])return u;if(l<0||l>=e.lim[1])return u;t=l*e.lim[0]+i;var d=e.cvs[t][0],s=e.cvs[t][1];t++;var y=e.cvs[t][0],f=e.cvs[t][1];t+=e.lim[0];var x=e.cvs[t][0],m=e.cvs[t][1];t--;var N=e.cvs[t][0],c=e.cvs[t][1],_=n*o,g=n*(1-o),v=(1-n)*(1-o),S=(1-n)*o;return u.x=v*d+g*y+S*N+_*x,u.y=v*s+g*f+S*c+_*m,u}t.default=function(r,e,t){if((0,o.compareDatums)(r,e))return t;if(r.datum_type===n.PJD_NODATUM||e.datum_type===n.PJD_NODATUM)return t;var a=r.a,i=r.es;if(r.datum_type===n.PJD_GRIDSHIFT){if(0!==s(r,!1,t))return;a=n.SRS_WGS84_SEMIMAJOR,i=n.SRS_WGS84_ESQUARED}var l=e.a,u=e.b,y=e.es;if(e.datum_type===n.PJD_GRIDSHIFT&&(l=n.SRS_WGS84_SEMIMAJOR,u=n.SRS_WGS84_SEMIMINOR,y=n.SRS_WGS84_ESQUARED),i===y&&a===l&&!d(r.datum_type)&&!d(e.datum_type))return t;if(t=(0,o.geodeticToGeocentric)(t,i,a),d(r.datum_type)&&(t=(0,o.geocentricToWgs84)(t,r.datum_type,r.datum_params)),d(e.datum_type)&&(t=(0,o.geocentricFromWgs84)(t,e.datum_type,e.datum_params)),t=(0,o.geocentricToGeodetic)(t,y,l,u),e.datum_type===n.PJD_GRIDSHIFT&&0!==s(e,!0,t))return;return t},t.applyGridShift=s}, +function _(a,t,r,m,s){m();const u=a(85);r.compareDatums=function(a,t){return a.datum_type===t.datum_type&&(!(a.a!==t.a||Math.abs(a.es-t.es)>5e-11)&&(a.datum_type===u.PJD_3PARAM?a.datum_params[0]===t.datum_params[0]&&a.datum_params[1]===t.datum_params[1]&&a.datum_params[2]===t.datum_params[2]:a.datum_type!==u.PJD_7PARAM||a.datum_params[0]===t.datum_params[0]&&a.datum_params[1]===t.datum_params[1]&&a.datum_params[2]===t.datum_params[2]&&a.datum_params[3]===t.datum_params[3]&&a.datum_params[4]===t.datum_params[4]&&a.datum_params[5]===t.datum_params[5]&&a.datum_params[6]===t.datum_params[6]))},r.geodeticToGeocentric=function(a,t,r){var m,s,_,e,n=a.x,d=a.y,i=a.z?a.z:0;if(d<-u.HALF_PI&&d>-1.001*u.HALF_PI)d=-u.HALF_PI;else if(d>u.HALF_PI&&d<1.001*u.HALF_PI)d=u.HALF_PI;else{if(d<-u.HALF_PI)return{x:-1/0,y:-1/0,z:a.z};if(d>u.HALF_PI)return{x:1/0,y:1/0,z:a.z}}return n>Math.PI&&(n-=2*Math.PI),s=Math.sin(d),e=Math.cos(d),_=s*s,{x:((m=r/Math.sqrt(1-t*_))+i)*e*Math.cos(n),y:(m+i)*e*Math.sin(n),z:(m*(1-t)+i)*s}},r.geocentricToGeodetic=function(a,t,r,m){var s,_,e,n,d,i,p,P,y,z,M,o,A,c,x,h=1e-12,f=a.x,I=a.y,F=a.z?a.z:0;if(s=Math.sqrt(f*f+I*I),_=Math.sqrt(f*f+I*I+F*F),s/r1e-24&&A<30);return{x:c,y:Math.atan(M/Math.abs(z)),z:x}},r.geocentricToWgs84=function(a,t,r){if(t===u.PJD_3PARAM)return{x:a.x+r[0],y:a.y+r[1],z:a.z+r[2]};if(t===u.PJD_7PARAM){var m=r[0],s=r[1],_=r[2],e=r[3],n=r[4],d=r[5],i=r[6];return{x:i*(a.x-d*a.y+n*a.z)+m,y:i*(d*a.x+a.y-e*a.z)+s,z:i*(-n*a.x+e*a.y+a.z)+_}}},r.geocentricFromWgs84=function(a,t,r){if(t===u.PJD_3PARAM)return{x:a.x-r[0],y:a.y-r[1],z:a.z-r[2]};if(t===u.PJD_7PARAM){var m=r[0],s=r[1],_=r[2],e=r[3],n=r[4],d=r[5],i=r[6],p=(a.x-m)/i,P=(a.y-s)/i,y=(a.z-_)/i;return{x:p+d*P-n*y,y:-d*p+P+e*y,z:n*p-e*P+y}}}}, +function _(e,a,i,r,s){r(),i.default=function(e,a,i){var r,s,n,c=i.x,d=i.y,f=i.z||0,u={};for(n=0;n<3;n++)if(!a||2!==n||void 0!==i.z)switch(0===n?(r=c,s=-1!=="ew".indexOf(e.axis[n])?"x":"y"):1===n?(r=d,s=-1!=="ns".indexOf(e.axis[n])?"y":"x"):(r=f,s="z"),e.axis[n]){case"e":u[s]=r;break;case"w":u[s]=-r;break;case"n":u[s]=r;break;case"s":u[s]=-r;break;case"u":void 0!==i[s]&&(u.z=r);break;case"d":void 0!==i[s]&&(u.z=-r);break;default:return null}return u}}, +function _(n,t,e,u,f){u(),e.default=function(n){var t={x:n[0],y:n[1]};return n.length>2&&(t.z=n[2]),n.length>3&&(t.m=n[3]),t}}, +function _(e,i,n,t,r){function o(e){if("function"==typeof Number.isFinite){if(Number.isFinite(e))return;throw new TypeError("coordinates must be finite numbers")}if("number"!=typeof e||e!=e||!isFinite(e))throw new TypeError("coordinates must be finite numbers")}t(),n.default=function(e){o(e.x),o(e.y)}}, +function _(e,i,s,t,o){t();const n=e(1);var l,a,r,_,c;const d=e(53),v=e(42),u=(0,n.__importStar)(e(45)),h=e(48),m=(0,n.__importStar)(e(18));class T extends v.View{initialize(){super.initialize(),this.visuals=new u.Visuals(this)}request_render(){this.parent.request_render()}get canvas(){return this.parent.canvas}set_data(e){const i=this;for(const s of this.model){if(!(s instanceof m.VectorSpec||s instanceof m.ScalarSpec))continue;const t=s.uniform(e);i[`${s.attr}`]=t}}}s.ArrowHeadView=T,T.__name__="ArrowHeadView";class p extends d.Model{constructor(e){super(e)}}s.ArrowHead=p,l=p,p.__name__="ArrowHead",l.define((()=>({size:[m.NumberSpec,25]})));class V extends T{clip(e,i){this.visuals.line.set_vectorize(e,i);const s=this.size.get(i);e.moveTo(.5*s,s),e.lineTo(.5*s,-2),e.lineTo(-.5*s,-2),e.lineTo(-.5*s,s),e.lineTo(0,0),e.lineTo(.5*s,s)}render(e,i){if(this.visuals.line.doit){this.visuals.line.set_vectorize(e,i);const s=this.size.get(i);e.beginPath(),e.moveTo(.5*s,s),e.lineTo(0,0),e.lineTo(-.5*s,s),e.stroke()}}}s.OpenHeadView=V,V.__name__="OpenHeadView";class f extends p{constructor(e){super(e)}}s.OpenHead=f,a=f,f.__name__="OpenHead",a.prototype.default_view=V,a.mixins(h.LineVector);class w extends 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s=this.size.get(i);e.moveTo(.5*s,s),e.lineTo(.5*s,-2),e.lineTo(-.5*s,-2),e.lineTo(-.5*s,s),e.lineTo(0,.5*s),e.lineTo(.5*s,s)}render(e,i){this.visuals.fill.doit&&(this.visuals.fill.set_vectorize(e,i),this._vee(e,i),e.fill()),this.visuals.line.doit&&(this.visuals.line.set_vectorize(e,i),this._vee(e,i),e.stroke())}_vee(e,i){const s=this.size.get(i);e.beginPath(),e.moveTo(.5*s,s),e.lineTo(0,0),e.lineTo(-.5*s,s),e.lineTo(0,.5*s),e.closePath()}}s.VeeHeadView=z,z.__name__="VeeHeadView";class x extends p{constructor(e){super(e)}}s.VeeHead=x,_=x,x.__name__="VeeHead",_.prototype.default_view=z,_.mixins([h.LineVector,h.FillVector]),_.override({fill_color:"black"});class g extends T{render(e,i){if(this.visuals.line.doit){this.visuals.line.set_vectorize(e,i);const s=this.size.get(i);e.beginPath(),e.moveTo(.5*s,0),e.lineTo(-.5*s,0),e.stroke()}}clip(e,i){}}s.TeeHeadView=g,g.__name__="TeeHeadView";class b extends p{constructor(e){super(e)}}s.TeeHead=b,c=b,b.__name__="TeeHead",c.prototype.default_view=g,c.mixins(h.LineVector)}, +function _(n,e,t,i,o){i();const s=n(9);async function c(n,e,t){const i=new n(Object.assign(Object.assign({},t),{model:e}));return i.initialize(),await i.lazy_initialize(),i}t.build_view=async function(n,e={parent:null},t=(n=>n.default_view)){const i=await c(t(n),n,e);return i.connect_signals(),i},t.build_views=async function(n,e,t={parent:null},i=(n=>n.default_view)){const o=(0,s.difference)([...n.keys()],e);for(const e of o)n.get(e).remove(),n.delete(e);const a=[],f=e.filter((e=>!n.has(e)));for(const e of f){const o=await c(i(e),e,t);n.set(e,o),a.push(o)}for(const n of a)n.connect_signals();return a},t.remove_views=function(n){for(const[e,t]of n)t.remove(),n.delete(e)}}, +function _(e,s,_,i,l){i();const t=e(1);var o;const r=e(115),p=(0,t.__importStar)(e(48));class h extends r.UpperLowerView{paint(e){e.beginPath(),e.moveTo(this._lower_sx[0],this._lower_sy[0]);for(let s=0,_=this._lower_sx.length;s<_;s++)e.lineTo(this._lower_sx[s],this._lower_sy[s]);for(let s=this._upper_sx.length-1;s>=0;s--)e.lineTo(this._upper_sx[s],this._upper_sy[s]);e.closePath(),this.visuals.fill.apply(e),e.beginPath(),e.moveTo(this._lower_sx[0],this._lower_sy[0]);for(let s=0,_=this._lower_sx.length;s<_;s++)e.lineTo(this._lower_sx[s],this._lower_sy[s]);this.visuals.line.apply(e),e.beginPath(),e.moveTo(this._upper_sx[0],this._upper_sy[0]);for(let s=0,_=this._upper_sx.length;s<_;s++)e.lineTo(this._upper_sx[s],this._upper_sy[s]);this.visuals.line.apply(e)}}_.BandView=h,h.__name__="BandView";class n extends r.UpperLower{constructor(e){super(e)}}_.Band=n,o=n,n.__name__="Band",o.prototype.default_view=h,o.mixins([p.Line,p.Fill]),o.override({fill_color:"#fff9ba",fill_alpha:.4,line_color:"#cccccc",line_alpha:.3})}, +function _(e,t,i,s,o){s();const r=e(1);var n;const p=e(69),a=e(20),_=(0,r.__importStar)(e(18));class h extends p.DataAnnotationView{map_data(){const{frame:e}=this.plot_view,t=this.model.dimension,i=this.coordinates.x_scale,s=this.coordinates.y_scale,o="height"==t?s:i,r="height"==t?i:s,n="height"==t?e.bbox.yview:e.bbox.xview,p="height"==t?e.bbox.xview:e.bbox.yview;let a,_,h;a="data"==this.model.properties.lower.units?o.v_compute(this._lower):n.v_compute(this._lower),_="data"==this.model.properties.upper.units?o.v_compute(this._upper):n.v_compute(this._upper),h="data"==this.model.properties.base.units?r.v_compute(this._base):p.v_compute(this._base);const[d,c]="height"==t?[1,0]:[0,1],u=[a,h],l=[_,h];this._lower_sx=u[d],this._lower_sy=u[c],this._upper_sx=l[d],this._upper_sy=l[c]}}i.UpperLowerView=h,h.__name__="UpperLowerView";class d extends _.CoordinateSpec{get dimension(){return"width"==this.obj.dimension?"x":"y"}get units(){var e;return null!==(e=this.spec.units)&&void 0!==e?e:"data"}}i.XOrYCoordinateSpec=d,d.__name__="XOrYCoordinateSpec";class c extends p.DataAnnotation{constructor(e){super(e)}}i.UpperLower=c,n=c,c.__name__="UpperLower",n.define((()=>({dimension:[a.Dimension,"height"],lower:[d,{field:"lower"}],upper:[d,{field:"upper"}],base:[d,{field:"base"}]})))}, +function _(t,o,i,n,e){n();const s=t(1);var l;const r=t(40),a=(0,s.__importStar)(t(48)),c=t(20),h=t(65);i.EDGE_TOLERANCE=2.5;class b extends r.AnnotationView{constructor(){super(...arguments),this.bbox=new h.BBox}connect_signals(){super.connect_signals(),this.connect(this.model.change,(()=>this.request_render()))}_render(){const{left:t,right:o,top:i,bottom:n}=this.model;if(null==t&&null==o&&null==i&&null==n)return;const{frame:e}=this.plot_view,s=this.coordinates.x_scale,l=this.coordinates.y_scale,r=(t,o,i,n,e)=>{let s;return s=null!=t?this.model.screen?t:"data"==o?i.compute(t):n.compute(t):e,s};this.bbox=h.BBox.from_rect({left:r(t,this.model.left_units,s,e.bbox.xview,e.bbox.left),right:r(o,this.model.right_units,s,e.bbox.xview,e.bbox.right),top:r(i,this.model.top_units,l,e.bbox.yview,e.bbox.top),bottom:r(n,this.model.bottom_units,l,e.bbox.yview,e.bbox.bottom)}),this._paint_box()}_paint_box(){const{ctx:t}=this.layer;t.save();const{left:o,top:i,width:n,height:e}=this.bbox;t.beginPath(),t.rect(o,i,n,e),this.visuals.fill.apply(t),this.visuals.hatch.apply(t),this.visuals.line.apply(t),t.restore()}interactive_bbox(){const t=this.model.line_width+i.EDGE_TOLERANCE;return this.bbox.grow_by(t)}interactive_hit(t,o){if(null==this.model.in_cursor)return!1;return this.interactive_bbox().contains(t,o)}cursor(t,o){const{left:i,right:n,bottom:e,top:s}=this.bbox;return Math.abs(t-i)<3||Math.abs(t-n)<3?this.model.ew_cursor:Math.abs(o-e)<3||Math.abs(o-s)<3?this.model.ns_cursor:this.bbox.contains(t,o)?this.model.in_cursor:null}}i.BoxAnnotationView=b,b.__name__="BoxAnnotationView";class u extends r.Annotation{constructor(t){super(t)}update({left:t,right:o,top:i,bottom:n}){this.setv({left:t,right:o,top:i,bottom:n,screen:!0})}}i.BoxAnnotation=u,l=u,u.__name__="BoxAnnotation",l.prototype.default_view=b,l.mixins([a.Line,a.Fill,a.Hatch]),l.define((({Number:t,Nullable:o})=>({top:[o(t),null],top_units:[c.SpatialUnits,"data"],bottom:[o(t),null],bottom_units:[c.SpatialUnits,"data"],left:[o(t),null],left_units:[c.SpatialUnits,"data"],right:[o(t),null],right_units:[c.SpatialUnits,"data"],render_mode:[c.RenderMode,"canvas"]}))),l.internal((({Boolean:t,String:o,Nullable:i})=>({screen:[t,!1],ew_cursor:[i(o),null],ns_cursor:[i(o),null],in_cursor:[i(o),null]}))),l.override({fill_color:"#fff9ba",fill_alpha:.4,line_color:"#cccccc",line_alpha:.3})}, +function _(t,e,i,o,n){o();const a=t(1);var r;const s=t(40),l=t(118),_=t(126),c=t(127),h=t(130),u=t(168),p=t(131),m=t(192),g=t(132),d=t(173),f=t(172),w=t(196),b=t(204),v=t(206),x=t(133),y=t(20),k=(0,a.__importStar)(t(48)),z=t(9),j=t(207),C=t(208),L=t(211),B=t(123),S=t(11),M=t(113),T=t(65),A=t(8);class O extends s.AnnotationView{get orientation(){return this._orientation}initialize(){super.initialize();const{ticker:t,formatter:e,color_mapper:i}=this.model;this._ticker="auto"!=t?t:(()=>{switch(!0){case i instanceof w.LogColorMapper:return new u.LogTicker;case i instanceof w.ScanningColorMapper:return new u.BinnedTicker({mapper:i});case i instanceof w.CategoricalColorMapper:return new u.CategoricalTicker;default:return new u.BasicTicker}})(),this._formatter="auto"!=e?e:(()=>{switch(!0){case this._ticker instanceof u.LogTicker:return new m.LogTickFormatter;case i instanceof w.CategoricalColorMapper:return new m.CategoricalTickFormatter;default:return new m.BasicTickFormatter}})(),this._major_range=(()=>{if(i instanceof w.CategoricalColorMapper){const{factors:t}=i;return new v.FactorRange({factors:t})}if(i instanceof f.ContinuousColorMapper){const{min:t,max:e}=i.metrics;return new v.Range1d({start:t,end:e})}(0,S.unreachable)()})(),this._major_scale=(()=>{if(i instanceof w.LinearColorMapper)return new b.LinearScale;if(i instanceof w.LogColorMapper)return new b.LogScale;if(i instanceof w.ScanningColorMapper){const{binning:t}=i.metrics;return new b.LinearInterpolationScale({binning:t})}if(i instanceof w.CategoricalColorMapper)return new b.CategoricalScale;(0,S.unreachable)()})(),this._minor_range=new v.Range1d({start:0,end:1}),this._minor_scale=new b.LinearScale;const o=k.attrs_of(this.model,"major_label_",k.Text,!0),n=k.attrs_of(this.model,"major_tick_",k.Line,!0),a=k.attrs_of(this.model,"minor_tick_",k.Line,!0),r=k.attrs_of(this.model,"title_",k.Text),s=i instanceof w.CategoricalColorMapper?c.CategoricalAxis:i instanceof w.LogColorMapper?c.LogAxis:c.LinearAxis;this._axis=new s(Object.assign(Object.assign(Object.assign({ticker:this._ticker,formatter:this._formatter,major_tick_in:this.model.major_tick_in,major_tick_out:this.model.major_tick_out,minor_tick_in:this.model.minor_tick_in,minor_tick_out:this.model.minor_tick_out,major_label_standoff:this.model.label_standoff,major_label_overrides:this.model.major_label_overrides,major_label_policy:this.model.major_label_policy,axis_line_color:null},o),n),a));const{title:_}=this.model;_&&(this._title=new l.Title(Object.assign({text:_,standoff:this.model.title_standoff},r)))}async lazy_initialize(){await super.lazy_initialize();const t=this,e={get parent(){return t.parent},get root(){return t.root},get frame(){return t._frame},get canvas_view(){return t.parent.canvas_view},request_layout(){t.parent.request_layout()}};this._axis_view=await(0,M.build_view)(this._axis,{parent:e}),null!=this._title&&(this._title_view=await(0,M.build_view)(this._title,{parent:e}))}remove(){var t;null===(t=this._title_view)||void 0===t||t.remove(),this._axis_view.remove(),super.remove()}connect_signals(){super.connect_signals(),this.connect(this._ticker.change,(()=>this.request_render())),this.connect(this._formatter.change,(()=>this.request_render())),this.connect(this.model.color_mapper.metrics_change,(()=>{const t=this._major_range,e=this._major_scale,{color_mapper:i}=this.model;if(i instanceof f.ContinuousColorMapper&&t instanceof v.Range1d){const{min:e,max:o}=i.metrics;t.setv({start:e,end:o})}if(i instanceof w.ScanningColorMapper&&e instanceof b.LinearInterpolationScale){const{binning:t}=i.metrics;e.binning=t}this._set_canvas_image(),this.plot_view.request_layout()}))}_set_canvas_image(){const{orientation:t}=this,e=(()=>{const{palette:e}=this.model.color_mapper;return"vertical"==t?(0,z.reversed)(e):e})(),[i,o]="vertical"==t?[1,e.length]:[e.length,1],n=this._image=document.createElement("canvas");n.width=i,n.height=o;const a=n.getContext("2d"),r=a.getImageData(0,0,i,o),s=new w.LinearColorMapper({palette:e}).rgba_mapper.v_compute((0,z.range)(0,e.length));r.data.set(s),a.putImageData(r,0,0)}update_layout(){const{location:t,width:e,height:i,padding:o,margin:n}=this.model,[a,r]=(()=>{if(!(0,A.isString)(t))return["end","start"];switch(t){case"top_left":return["start","start"];case"top":case"top_center":return["start","center"];case"top_right":return["start","end"];case"bottom_left":return["end","start"];case"bottom":case"bottom_center":return["end","center"];case"bottom_right":return["end","end"];case"left":case"center_left":return["center","start"];case"center":case"center_center":return["center","center"];case"right":case"center_right":return["center","end"]}})(),s=this._orientation=(()=>{const{orientation:t}=this.model;return"auto"==t?null!=this.panel?this.panel.is_horizontal?"horizontal":"vertical":"start"==r||"end"==r||"center"==r&&"center"==a?"vertical":"horizontal":t})(),l=new C.NodeLayout,c=new C.VStack,h=new C.VStack,u=new C.HStack,p=new C.HStack;l.absolute=!0,c.absolute=!0,h.absolute=!0,u.absolute=!0,p.absolute=!0;const[m,g,d,f]=(()=>"horizontal"==s?[this._major_scale,this._minor_scale,this._major_range,this._minor_range]:[this._minor_scale,this._major_scale,this._minor_range,this._major_range])();this._frame=new _.CartesianFrame(m,g,d,f),l.on_resize((t=>this._frame.set_geometry(t)));const w=new L.BorderLayout;this._inner_layout=w,w.absolute=!0,w.center_panel=l,w.top_panel=c,w.bottom_panel=h,w.left_panel=u,w.right_panel=p;const b={left:o,right:o,top:o,bottom:o},v=(()=>{if(null==this.panel){if((0,A.isString)(t))return{left:n,right:n,top:n,bottom:n};{const[e,i]=t;return{left:e,right:n,top:n,bottom:i}}}if(!(0,A.isString)(t)){const[e,i]=t;return w.fixup_geometry=(t,o)=>{const n=t,a=this.layout.bbox,{width:r,height:s}=t;if(t=new T.BBox({left:a.left+e,bottom:a.bottom-i,width:r,height:s}),null!=o){const e=t.left-n.left,i=t.top-n.top,{left:a,top:r,width:s,height:l}=o;o=new T.BBox({left:a+e,top:r+i,width:s,height:l})}return[t,o]},{left:e,right:0,top:0,bottom:i}}w.fixup_geometry=(t,e)=>{const i=t;if("horizontal"==s){const{top:e,width:i,height:o}=t;if("end"==r){const{right:n}=this.layout.bbox;t=new T.BBox({right:n,top:e,width:i,height:o})}else if("center"==r){const{hcenter:n}=this.layout.bbox;t=new T.BBox({hcenter:Math.round(n),top:e,width:i,height:o})}}else{const{left:e,width:i,height:o}=t;if("end"==a){const{bottom:n}=this.layout.bbox;t=new T.BBox({left:e,bottom:n,width:i,height:o})}else if("center"==a){const{vcenter:n}=this.layout.bbox;t=new T.BBox({left:e,vcenter:Math.round(n),width:i,height:o})}}if(null!=e){const o=t.left-i.left,n=t.top-i.top,{left:a,top:r,width:s,height:l}=e;e=new T.BBox({left:a+o,top:r+n,width:s,height:l})}return[t,e]}})();let x,y,k,z;if(w.padding=b,null!=this.panel?(x="max",y=void 0,k=void 0,z=void 0):"auto"==("horizontal"==s?e:i)?(x="fixed",y=25*this.model.color_mapper.palette.length,k={percent:.3},z={percent:.8}):(x="fit",y=void 0),"horizontal"==s){const t="auto"==e?void 0:e,o="auto"==i?25:i;w.set_sizing({width_policy:x,height_policy:"min",width:y,min_width:k,max_width:z,halign:r,valign:a,margin:v}),w.center_panel.set_sizing({width_policy:"auto"==e?"fit":"fixed",height_policy:"fixed",width:t,height:o})}else{const t="auto"==e?25:e,o="auto"==i?void 0:i;w.set_sizing({width_policy:"min",height_policy:x,height:y,min_height:k,max_height:z,halign:r,valign:a,margin:v}),w.center_panel.set_sizing({width_policy:"fixed",height_policy:"auto"==i?"fit":"fixed",width:t,height:o})}c.set_sizing({width_policy:"fit",height_policy:"min"}),h.set_sizing({width_policy:"fit",height_policy:"min"}),u.set_sizing({width_policy:"min",height_policy:"fit"}),p.set_sizing({width_policy:"min",height_policy:"fit"});const{_title_view:S}=this;null!=S&&("horizontal"==s?(S.panel=new B.Panel("above"),S.update_layout(),c.children.push(S.layout)):(S.panel=new B.Panel("left"),S.update_layout(),u.children.push(S.layout)));const{panel:M}=this,O=null!=M&&s==M.orientation?M.side:"horizontal"==s?"below":"right",R=(()=>{switch(O){case"above":return c;case"below":return h;case"left":return u;case"right":return p}})(),{_axis_view:F}=this;if(F.panel=new B.Panel(O),F.update_layout(),R.children.push(F.layout),null!=this.panel){const t=new j.Grid([{layout:w,row:0,col:0}]);t.absolute=!0,"horizontal"==s?t.set_sizing({width_policy:"max",height_policy:"min"}):t.set_sizing({width_policy:"min",height_policy:"max"}),this.layout=t}else this.layout=this._inner_layout;const{visible:I}=this.model;this.layout.sizing.visible=I,this._set_canvas_image()}_render(){var t;const{ctx:e}=this.layer;e.save(),this._paint_bbox(e,this._inner_layout.bbox),this._paint_image(e,this._inner_layout.center_panel.bbox),null===(t=this._title_view)||void 0===t||t.render(),this._axis_view.render(),e.restore()}_paint_bbox(t,e){const{x:i,y:o}=e;let{width:n,height:a}=e;i+n>=this.parent.canvas_view.bbox.width&&(n-=1),o+a>=this.parent.canvas_view.bbox.height&&(a-=1),t.save(),this.visuals.background_fill.doit&&(this.visuals.background_fill.set_value(t),t.fillRect(i,o,n,a)),this.visuals.border_line.doit&&(this.visuals.border_line.set_value(t),t.strokeRect(i,o,n,a)),t.restore()}_paint_image(t,e){const{x:i,y:o,width:n,height:a}=e;t.save(),t.setImageSmoothingEnabled(!1),t.globalAlpha=this.model.scale_alpha,t.drawImage(this._image,i,o,n,a),this.visuals.bar_line.doit&&(this.visuals.bar_line.set_value(t),t.strokeRect(i,o,n,a)),t.restore()}serializable_state(){const t=super.serializable_state(),{children:e=[]}=t,i=(0,a.__rest)(t,["children"]);return null!=this._title_view&&e.push(this._title_view.serializable_state()),e.push(this._axis_view.serializable_state()),Object.assign(Object.assign({},i),{children:e})}}i.ColorBarView=O,O.__name__="ColorBarView";class R extends s.Annotation{constructor(t){super(t)}}i.ColorBar=R,r=R,R.__name__="ColorBar",r.prototype.default_view=O,r.mixins([["major_label_",k.Text],["title_",k.Text],["major_tick_",k.Line],["minor_tick_",k.Line],["border_",k.Line],["bar_",k.Line],["background_",k.Fill]]),r.define((({Alpha:t,Number:e,String:i,Tuple:o,Dict:n,Or:a,Ref:r,Auto:s,Nullable:l})=>({location:[a(y.Anchor,o(e,e)),"top_right"],orientation:[a(y.Orientation,s),"auto"],title:[l(i),null],title_standoff:[e,2],width:[a(e,s),"auto"],height:[a(e,s),"auto"],scale_alpha:[t,1],ticker:[a(r(h.Ticker),s),"auto"],formatter:[a(r(p.TickFormatter),s),"auto"],major_label_overrides:[n(a(i,r(x.BaseText))),{}],major_label_policy:[r(g.LabelingPolicy),()=>new g.NoOverlap],color_mapper:[r(d.ColorMapper)],label_standoff:[e,5],margin:[e,30],padding:[e,10],major_tick_in:[e,5],major_tick_out:[e,0],minor_tick_in:[e,0],minor_tick_out:[e,0]}))),r.override({background_fill_color:"#ffffff",background_fill_alpha:.95,bar_line_color:null,border_line_color:null,major_label_text_font_size:"11px",major_tick_line_color:"#ffffff",minor_tick_line_color:null,title_text_font_size:"13px",title_text_font_style:"italic"})}, +function _(t,e,i,s,l){s();const o=t(1);var a;const n=t(119),r=t(20),c=t(120),h=(0,o.__importStar)(t(48));class _ extends n.TextAnnotationView{_get_location(){const t=this.model.offset,e=this.model.standoff/2;let i,s;const{bbox:l}=this.layout;switch(this.panel.side){case"above":case"below":switch(this.model.vertical_align){case"top":s=l.top+e;break;case"middle":s=l.vcenter;break;case"bottom":s=l.bottom-e}switch(this.model.align){case"left":i=l.left+t;break;case"center":i=l.hcenter;break;case"right":i=l.right-t}break;case"left":switch(this.model.vertical_align){case"top":i=l.left+e;break;case"middle":i=l.hcenter;break;case"bottom":i=l.right-e}switch(this.model.align){case"left":s=l.bottom-t;break;case"center":s=l.vcenter;break;case"right":s=l.top+t}break;case"right":switch(this.model.vertical_align){case"top":i=l.right-e;break;case"middle":i=l.hcenter;break;case"bottom":i=l.left+e}switch(this.model.align){case"left":s=l.top+t;break;case"center":s=l.vcenter;break;case"right":s=l.bottom-t}}return[i,s]}_render(){const{text:t}=this.model;if(null==t||0==t.length)return;this.model.text_baseline=this.model.vertical_align,this.model.text_align=this.model.align;const[e,i]=this._get_location(),s=this.panel.get_label_angle_heuristic("parallel");("canvas"==this.model.render_mode?this._canvas_text.bind(this):this._css_text.bind(this))(this.layer.ctx,t,e,i,s)}_get_size(){const{text:t}=this.model,e=new c.TextBox({text:t});e.visuals=this.visuals.text.values();const{width:i,height:s}=e.size();return{width:i,height:0==s?0:2+s+this.model.standoff}}}i.TitleView=_,_.__name__="TitleView";class d extends n.TextAnnotation{constructor(t){super(t)}}i.Title=d,a=d,d.__name__="Title",a.prototype.default_view=_,a.mixins([h.Text,["border_",h.Line],["background_",h.Fill]]),a.define((({Number:t,String:e})=>({text:[e,""],vertical_align:[r.VerticalAlign,"bottom"],align:[r.TextAlign,"left"],offset:[t,0],standoff:[t,10]}))),a.prototype._props.text_align.options.internal=!0,a.prototype._props.text_baseline.options.internal=!0,a.override({text_font_size:"13px",text_font_style:"bold",text_line_height:1,background_fill_color:null,border_line_color:null})}, +function _(e,t,s,i,l){var n;i();const o=e(40),a=e(43),r=e(20),d=e(120),u=e(123),c=e(11);class h extends o.AnnotationView{update_layout(){const{panel:e}=this;this.layout=null!=e?new u.SideLayout(e,(()=>this.get_size()),!0):void 0}initialize(){super.initialize(),"css"==this.model.render_mode&&(this.el=(0,a.div)(),this.plot_view.canvas_view.add_overlay(this.el))}remove(){null!=this.el&&(0,a.remove)(this.el),super.remove()}connect_signals(){super.connect_signals(),"css"==this.model.render_mode?this.connect(this.model.change,(()=>this.render())):this.connect(this.model.change,(()=>this.request_render()))}render(){this.model.visible||"css"!=this.model.render_mode||(0,a.undisplay)(this.el),super.render()}_canvas_text(e,t,s,i,l){const n=new d.TextBox({text:t});n.angle=l,n.position={sx:s,sy:i},n.visuals=this.visuals.text.values();const{background_fill:o,border_line:a}=this.visuals;if(o.doit||a.doit){const{p0:t,p1:s,p2:i,p3:l}=n.rect();e.beginPath(),e.moveTo(t.x,t.y),e.lineTo(s.x,s.y),e.lineTo(i.x,i.y),e.lineTo(l.x,l.y),e.closePath(),this.visuals.background_fill.apply(e),this.visuals.border_line.apply(e)}this.visuals.text.doit&&n.paint(e)}_css_text(e,t,s,i,l){const{el:n}=this;(0,c.assert)(null!=n),(0,a.undisplay)(n),n.textContent=t,this.visuals.text.set_value(e),n.style.position="absolute",n.style.left=`${s}px`,n.style.top=`${i}px`,n.style.color=e.fillStyle,n.style.font=e.font,n.style.lineHeight="normal",n.style.whiteSpace="pre";const[o,r]=(()=>{switch(this.visuals.text.text_align.get_value()){case"left":return["left","0%"];case"center":return["center","-50%"];case"right":return["right","-100%"]}})(),[d,u]=(()=>{switch(this.visuals.text.text_baseline.get_value()){case"top":return["top","0%"];case"middle":return["center","-50%"];case"bottom":return["bottom","-100%"];default:return["center","-50%"]}})();let h=`translate(${r}, ${u})`;l&&(h+=`rotate(${l}rad)`),n.style.transformOrigin=`${o} ${d}`,n.style.transform=h,this.layout,this.visuals.background_fill.doit&&(this.visuals.background_fill.set_value(e),n.style.backgroundColor=e.fillStyle),this.visuals.border_line.doit&&(this.visuals.border_line.set_value(e),n.style.borderStyle=e.lineDash.length<2?"solid":"dashed",n.style.borderWidth=`${e.lineWidth}px`,n.style.borderColor=e.strokeStyle),(0,a.display)(n)}}s.TextAnnotationView=h,h.__name__="TextAnnotationView";class _ extends o.Annotation{constructor(e){super(e)}}s.TextAnnotation=_,n=_,_.__name__="TextAnnotation",n.define((()=>({render_mode:[r.RenderMode,"canvas"]})))}, +function _(t,e,s,i,n){i();const h=t(65),o=t(121),r=t(9),a=t(8),c=t(122),_=t(22);s.text_width=(()=>{const t=document.createElement("canvas").getContext("2d");let e="";return(s,i)=>(i!=e&&(e=i,t.font=i),t.measureText(s).width)})();class l{constructor(){this._position={sx:0,sy:0},this.font_size_scale=1,this.align="left",this._base_font_size=13,this._x_anchor="left",this._y_anchor="center"}set base_font_size(t){null!=t&&(this._base_font_size=t)}get base_font_size(){return this._base_font_size}set position(t){this._position=t}get position(){return this._position}infer_text_height(){return"ascent_descent"}bbox(){const{p0:t,p1:e,p2:s,p3:i}=this.rect(),n=Math.min(t.x,e.x,s.x,i.x),o=Math.min(t.y,e.y,s.y,i.y),r=Math.max(t.x,e.x,s.x,i.x),a=Math.max(t.y,e.y,s.y,i.y);return new h.BBox({left:n,right:r,top:o,bottom:a})}size(){const{width:t,height:e}=this._size(),{angle:s}=this;if(s){const i=Math.cos(Math.abs(s)),n=Math.sin(Math.abs(s));return{width:Math.abs(t*i+e*n),height:Math.abs(t*n+e*i)}}return{width:t,height:e}}rect(){const t=this._rect(),{angle:e}=this;if(e){const{sx:s,sy:i}=this.position,n=new c.AffineTransform;return n.translate(s,i),n.rotate(e),n.translate(-s,-i),n.apply_rect(t)}return t}paint_rect(t){const{p0:e,p1:s,p2:i,p3:n}=this.rect();t.save(),t.strokeStyle="red",t.lineWidth=1,t.beginPath();const{round:h}=Math;t.moveTo(h(e.x),h(e.y)),t.lineTo(h(s.x),h(s.y)),t.lineTo(h(i.x),h(i.y)),t.lineTo(h(n.x),h(n.y)),t.closePath(),t.stroke(),t.restore()}paint_bbox(t){const{x:e,y:s,width:i,height:n}=this.bbox();t.save(),t.strokeStyle="blue",t.lineWidth=1,t.beginPath();const{round:h}=Math;t.moveTo(h(e),h(s)),t.lineTo(h(e),h(s+n)),t.lineTo(h(e+i),h(s+n)),t.lineTo(h(e+i),h(s)),t.closePath(),t.stroke(),t.restore()}}s.GraphicsBox=l,l.__name__="GraphicsBox";class x extends l{constructor({text:t}){super(),this.text=t}set visuals(t){const e=t.color,s=t.alpha,i=t.font_style;let n=t.font_size;const h=t.font,{font_size_scale:r,base_font_size:a}=this,c=(0,o.parse_css_font_size)(n);if(null!=c){let{value:t,unit:e}=c;t*=r,"em"==e&&a&&(t*=a,e="px"),n=`${t}${e}`}const l=`${i} ${n} ${h}`;this.font=l,this.color=(0,_.color2css)(e,s),this.line_height=t.line_height;const x=t.align;this._x_anchor=x;const u=t.baseline;this._y_anchor=(()=>{switch(u){case"top":return"top";case"middle":return"center";case"bottom":return"bottom";default:return"baseline"}})()}infer_text_height(){if(this.text.includes("\n"))return"ascent_descent";{function t(t){for(const e of new Set(t))if(!("0"<=e&&e<="9"))switch(e){case",":case".":case"+":case"-":case"\u2212":case"e":continue;default:return!1}return!0}return t(this.text)?"cap":"ascent_descent"}}_text_line(t){var e;const s=null!==(e=this.text_height_metric)&&void 0!==e?e:this.infer_text_height(),i=(()=>{switch(s){case"x":case"x_descent":return t.x_height;case"cap":case"cap_descent":return t.cap_height;case"ascent":case"ascent_descent":return t.ascent}})(),n=(()=>{switch(s){case"x":case"cap":case"ascent":return 0;case"x_descent":case"cap_descent":case"ascent_descent":return t.descent}})();return{height:i+n,ascent:i,descent:n}}get nlines(){return this.text.split("\n").length}_size(){var t,e;const{font:i}=this,n=(0,o.font_metrics)(i),h=(this.line_height-1)*n.height,a=""==this.text,c=this.text.split("\n"),_=c.length,l=c.map((t=>(0,s.text_width)(t,i))),x=this._text_line(n).height*_,u="%"==(null===(t=this.width)||void 0===t?void 0:t.unit)?this.width.value:1,p="%"==(null===(e=this.height)||void 0===e?void 0:e.unit)?this.height.value:1;return{width:(0,r.max)(l)*u,height:a?0:(x+h*(_-1))*p,metrics:n}}_computed_position(t,e,s){const{width:i,height:n}=t,{sx:h,sy:o,x_anchor:r=this._x_anchor,y_anchor:c=this._y_anchor}=this.position;return{x:h-(()=>{if((0,a.isNumber)(r))return r*i;switch(r){case"left":return 0;case"center":return.5*i;case"right":return i}})(),y:o-(()=>{var t;if((0,a.isNumber)(c))return c*n;switch(c){case"top":return 0;case"center":return.5*n;case"bottom":return n;case"baseline":if(1!=s)return.5*n;switch(null!==(t=this.text_height_metric)&&void 0!==t?t:this.infer_text_height()){case"x":case"x_descent":return e.x_height;case"cap":case"cap_descent":return e.cap_height;case"ascent":case"ascent_descent":return e.ascent}}})()}}_rect(){const{width:t,height:e,metrics:s}=this._size(),i=this.text.split("\n").length,{x:n,y:o}=this._computed_position({width:t,height:e},s,i);return new h.BBox({x:n,y:o,width:t,height:e}).rect}paint(t){var e,i;const{font:n}=this,h=(0,o.font_metrics)(n),a=(this.line_height-1)*h.height,c=this.text.split("\n"),_=c.length,l=c.map((t=>(0,s.text_width)(t,n))),x=this._text_line(h),u=x.height*_,p="%"==(null===(e=this.width)||void 0===e?void 0:e.unit)?this.width.value:1,f="%"==(null===(i=this.height)||void 0===i?void 0:i.unit)?this.height.value:1,g=(0,r.max)(l)*p,d=(u+a*(_-1))*f;t.save(),t.fillStyle=this.color,t.font=this.font,t.textAlign="left",t.textBaseline="alphabetic";const{sx:b,sy:m}=this.position,{align:y}=this,{angle:w}=this;w&&(t.translate(b,m),t.rotate(w),t.translate(-b,-m));let{x:v,y:z}=this._computed_position({width:g,height:d},h,_);if("justify"==y)for(let e=0;e<_;e++){let i=v;const h=c[e].split(" "),o=h.length,_=h.map((t=>(0,s.text_width)(t,n))),l=(g-(0,r.sum)(_))/(o-1);for(let e=0;e{switch(y){case"left":return 0;case"center":return.5*(g-l[e]);case"right":return g-l[e]}})();t.fillStyle=this.color,t.fillText(c[e],s,z+x.ascent),z+=x.height+a}t.restore()}}s.TextBox=x,x.__name__="TextBox";class u extends l{constructor(t,e){super(),this.base=t,this.expo=e}get children(){return[this.base,this.expo]}set base_font_size(t){super.base_font_size=t,this.base.base_font_size=t,this.expo.base_font_size=t}set position(t){this._position=t;const e=this.base.size(),s=this.expo.size(),i=this._shift_scale()*e.height,n=Math.max(e.height,i+s.height);this.base.position={sx:0,x_anchor:"left",sy:n,y_anchor:"bottom"},this.expo.position={sx:e.width,x_anchor:"left",sy:i,y_anchor:"bottom"}}get position(){return this._position}set visuals(t){this.expo.font_size_scale=.7,this.base.visuals=t,this.expo.visuals=t}_shift_scale(){if(this.base instanceof x&&1==this.base.nlines){const{x_height:t,cap_height:e}=(0,o.font_metrics)(this.base.font);return t/e}return 2/3}infer_text_height(){return this.base.infer_text_height()}_rect(){const t=this.base.bbox(),e=this.expo.bbox(),s=t.union(e),{x:i,y:n}=this._computed_position();return s.translate(i,n).rect}_size(){const t=this.base.size(),e=this.expo.size();return{width:t.width+e.width,height:Math.max(t.height,this._shift_scale()*t.height+e.height)}}paint(t){t.save();const{angle:e}=this;if(e){const{sx:s,sy:i}=this.position;t.translate(s,i),t.rotate(e),t.translate(-s,-i)}const{x:s,y:i}=this._computed_position();t.translate(s,i),this.base.paint(t),this.expo.paint(t),t.restore()}paint_bbox(t){super.paint_bbox(t);const{x:e,y:s}=this._computed_position();t.save(),t.translate(e,s);for(const e of this.children)e.paint_bbox(t);t.restore()}_computed_position(){const{width:t,height:e}=this._size(),{sx:s,sy:i,x_anchor:n=this._x_anchor,y_anchor:h=this._y_anchor}=this.position;return{x:s-(()=>{if((0,a.isNumber)(n))return n*t;switch(n){case"left":return 0;case"center":return.5*t;case"right":return t}})(),y:i-(()=>{if((0,a.isNumber)(h))return h*e;switch(h){case"top":return 0;case"center":return.5*e;case"bottom":return e;case"baseline":return.5*e}})()}}}s.BaseExpo=u,u.__name__="BaseExpo";class p{constructor(t){this.items=t}set base_font_size(t){for(const e of this.items)e.base_font_size=t}get length(){return this.items.length}set visuals(t){for(const e of this.items)e.visuals=t;const e={x:0,cap:1,ascent:2,x_descent:3,cap_descent:4,ascent_descent:5},s=(0,r.max_by)(this.items.map((t=>t.infer_text_height())),(t=>e[t]));for(const t of this.items)t.text_height_metric=s}set angle(t){for(const e of this.items)e.angle=t}max_size(){let t=0,e=0;for(const s of this.items){const i=s.size();t=Math.max(t,i.width),e=Math.max(e,i.height)}return{width:t,height:e}}}s.GraphicsBoxes=p,p.__name__="GraphicsBoxes"}, +function _(t,e,n,r,l){r();const a=t(11),c=(()=>{try{return"undefined"!=typeof OffscreenCanvas&&null!=new OffscreenCanvas(0,0).getContext("2d")}catch(t){return!1}})()?(t,e)=>new OffscreenCanvas(t,e):(t,e)=>{const n=document.createElement("canvas");return n.width=t,n.height=e,n},o=(()=>{const t=c(0,0).getContext("2d");return e=>{t.font=e;const n=t.measureText("M"),r=t.measureText("x"),l=t.measureText("\xc5\u015ag|"),c=l.fontBoundingBoxAscent,o=l.fontBoundingBoxDescent;if(null!=c&&null!=o)return{height:c+o,ascent:c,descent:o,cap_height:n.actualBoundingBoxAscent,x_height:r.actualBoundingBoxAscent};const s=l.actualBoundingBoxAscent,u=l.actualBoundingBoxDescent;if(null!=s&&null!=u)return{height:s+u,ascent:s,descent:u,cap_height:n.actualBoundingBoxAscent,x_height:r.actualBoundingBoxAscent};(0,a.unreachable)()}})(),s=(()=>{const t=c(0,0).getContext("2d");return(e,n)=>{t.font=n;const r=t.measureText(e),l=r.actualBoundingBoxAscent,c=r.actualBoundingBoxDescent;if(null!=l&&null!=c)return{width:r.width,height:l+c,ascent:l,descent:c};(0,a.unreachable)()}})(),u=(()=>{const t=document.createElement("canvas"),e=t.getContext("2d");let n=-1,r=-1;return(l,a=1)=>{e.font=l;const{width:c}=e.measureText("M"),o=c*a,s=Math.ceil(o),u=Math.ceil(2*o),i=Math.ceil(1.5*o);n{let e=0;for(let n=0;n<=i;n++)for(let r=0;r{let e=t.length-4;for(let n=u;n>=i;n--)for(let r=0;r{const t=document.createElement("canvas"),e=t.getContext("2d");let n=-1,r=-1;return(l,a,c=1)=>{e.font=a;const{width:o}=e.measureText("M"),s=o*c,u=Math.ceil(s),i=Math.ceil(2*s),f=Math.ceil(1.5*s);(n{let e=0;for(let n=0;n<=f;n++)for(let r=0;r{let e=t.length-4;for(let n=i;n>=f;n--)for(let r=0;r{try{return o("normal 10px sans-serif"),o}catch(t){return u}})(),h=(()=>{try{return s("A","normal 10px sans-serif"),s}catch(t){return i}})(),g=new Map;function d(t){let e=g.get(t);return null==e&&(e={font:f(t),glyphs:new Map},g.set(t,e)),e.font}n.font_metrics=d,n.glyph_metrics=function(t,e){let n=g.get(e);null==n&&(d(e),n=g.get(e));let r=n.glyphs.get(t);return null==r&&(r=h(t,e),n.glyphs.set(t,r)),r},n.parse_css_font_size=function(t){const e=t.match(/^\s*(\d+(\.\d+)?)(\w+)\s*$/);if(null!=e){const[,t,,n]=e,r=Number(t);if(isFinite(r))return{value:r,unit:n}}return null}}, +function _(t,s,r,n,i){n();const{sin:e,cos:a}=Math;class h{constructor(t=1,s=0,r=0,n=1,i=0,e=0){this.a=t,this.b=s,this.c=r,this.d=n,this.e=i,this.f=e}toString(){const{a:t,b:s,c:r,d:n,e:i,f:e}=this;return`matrix(${t}, ${s}, ${r}, ${n}, ${i}, ${e})`}static from_DOMMatrix(t){const{a:s,b:r,c:n,d:i,e,f:a}=t;return new h(s,r,n,i,e,a)}to_DOMMatrix(){const{a:t,b:s,c:r,d:n,e:i,f:e}=this;return new DOMMatrix([t,s,r,n,i,e])}clone(){const{a:t,b:s,c:r,d:n,e:i,f:e}=this;return new h(t,s,r,n,i,e)}get is_identity(){const{a:t,b:s,c:r,d:n,e:i,f:e}=this;return 1==t&&0==s&&0==r&&1==n&&0==i&&0==e}apply_point(t){const[s,r]=this.apply(t.x,t.y);return{x:s,y:r}}apply_rect(t){return{p0:this.apply_point(t.p0),p1:this.apply_point(t.p1),p2:this.apply_point(t.p2),p3:this.apply_point(t.p3)}}apply(t,s){const{a:r,b:n,c:i,d:e,e:a,f:h}=this;return[r*t+i*s+a,n*t+e*s+h]}iv_apply(t,s){const{a:r,b:n,c:i,d:e,e:a,f:h}=this,c=t.length;for(let o=0;o{const h={max:4,fit:3,min:2,fixed:1};return h[i]>h[t]};if("fixed"!=n&&"fixed"!=s)if(n==s){const n=t,s=_(t/e),r=_(h*e),g=h;Math.abs(i.width-n)+Math.abs(i.height-s)<=Math.abs(i.width-r)+Math.abs(i.height-g)?(t=n,h=s):(t=r,h=g)}else r(n,s)?h=_(t/e):t=_(h*e);else"fixed"==n?h=_(t/e):"fixed"==s&&(t=_(h*e))}return{width:t,height:h}}measure(i){if(!this.sizing.visible)return{width:0,height:0};const t=i=>"fixed"==this.sizing.width_policy&&null!=this.sizing.width?this.sizing.width:i,h=i=>"fixed"==this.sizing.height_policy&&null!=this.sizing.height?this.sizing.height:i,e=new s.Sizeable(i).shrink_by(this.sizing.margin).map(t,h),n=this._measure(e),r=this.clip_size(n,e),g=t(r.width),l=h(r.height),a=this.apply_aspect(e,{width:g,height:l});return Object.assign(Object.assign({},n),a)}compute(i={}){const t=this.measure({width:null!=i.width&&this.is_width_expanding()?i.width:1/0,height:null!=i.height&&this.is_height_expanding()?i.height:1/0}),{width:h,height:e}=t,n=new r.BBox({left:0,top:0,width:h,height:e});let s;if(null!=t.inner){const{left:i,top:n,right:g,bottom:l}=t.inner;s=new r.BBox({left:i,top:n,right:h-g,bottom:e-l})}this.set_geometry(n,s)}get xview(){return this.bbox.xview}get yview(){return this.bbox.yview}clip_size(i,t){function h(i,t,h,e){return null==h?h=0:(0,g.isNumber)(h)||(h=Math.round(h.percent*t)),null==e?e=1/0:(0,g.isNumber)(e)||(e=Math.round(e.percent*t)),a(h,l(i,e))}return{width:h(i.width,t.width,this.sizing.min_width,this.sizing.max_width),height:h(i.height,t.height,this.sizing.min_height,this.sizing.max_height)}}has_size_changed(){const{_dirty:i}=this;return this._dirty=!1,i}}h.Layoutable=o,o.__name__="Layoutable";class d extends o{_measure(i){const{width_policy:t,height_policy:h}=this.sizing;return{width:(()=>{const{width:h}=this.sizing;if(i.width==1/0)return null!=h?h:0;switch(t){case"fixed":return null!=h?h:0;case"min":return null!=h?l(i.width,h):0;case"fit":return null!=h?l(i.width,h):i.width;case"max":return null!=h?a(i.width,h):i.width}})(),height:(()=>{const{height:t}=this.sizing;if(i.height==1/0)return null!=t?t:0;switch(h){case"fixed":return null!=t?t:0;case"min":return null!=t?l(i.height,t):0;case"fit":return null!=t?l(i.height,t):i.height;case"max":return null!=t?a(i.height,t):i.height}})()}}}h.LayoutItem=d,d.__name__="LayoutItem";class u extends o{_measure(i){const t=this._content_size(),h=i.bounded_to(this.sizing.size).bounded_to(t);return{width:(()=>{switch(this.sizing.width_policy){case"fixed":return null!=this.sizing.width?this.sizing.width:t.width;case"min":return t.width;case"fit":return h.width;case"max":return Math.max(t.width,h.width)}})(),height:(()=>{switch(this.sizing.height_policy){case"fixed":return null!=this.sizing.height?this.sizing.height:t.height;case"min":return t.height;case"fit":return h.height;case"max":return Math.max(t.height,h.height)}})()}}}h.ContentLayoutable=u,u.__name__="ContentLayoutable"}, +function _(e,t,s,a,_){a();const r=e(62),n=e(61),g=e(58),i=e(63),c=e(67),h=e(65),l=e(13),o=e(11);class x{constructor(e,t,s,a,_={},r={},n={},g={}){this.in_x_scale=e,this.in_y_scale=t,this.x_range=s,this.y_range=a,this.extra_x_ranges=_,this.extra_y_ranges=r,this.extra_x_scales=n,this.extra_y_scales=g,this._bbox=new h.BBox,(0,o.assert)(null==e.source_range&&null==e.target_range),(0,o.assert)(null==t.source_range&&null==t.target_range),this._configure_scales()}get bbox(){return this._bbox}_get_ranges(e,t){return new Map((0,l.entries)(Object.assign(Object.assign({},t),{default:e})))}_get_scales(e,t,s,a){var _;const g=new Map((0,l.entries)(Object.assign(Object.assign({},t),{default:e}))),h=new Map;for(const[t,l]of s){if(l instanceof c.FactorRange!=e instanceof r.CategoricalScale)throw new Error(`Range ${l.type} is incompatible is Scale ${e.type}`);e instanceof n.LogScale&&l instanceof i.DataRange1d&&(l.scale_hint="log");const s=(null!==(_=g.get(t))&&void 0!==_?_:e).clone();s.setv({source_range:l,target_range:a}),h.set(t,s)}return h}_configure_frame_ranges(){const{bbox:e}=this;this._x_target=new g.Range1d({start:e.left,end:e.right}),this._y_target=new g.Range1d({start:e.bottom,end:e.top})}_configure_scales(){this._configure_frame_ranges(),this._x_ranges=this._get_ranges(this.x_range,this.extra_x_ranges),this._y_ranges=this._get_ranges(this.y_range,this.extra_y_ranges),this._x_scales=this._get_scales(this.in_x_scale,this.extra_x_scales,this._x_ranges,this._x_target),this._y_scales=this._get_scales(this.in_y_scale,this.extra_y_scales,this._y_ranges,this._y_target)}_update_scales(){this._configure_frame_ranges();for(const[,e]of this._x_scales)e.target_range=this._x_target;for(const[,e]of this._y_scales)e.target_range=this._y_target}set_geometry(e){this._bbox=e,this._update_scales()}get x_target(){return this._x_target}get y_target(){return this._y_target}get x_ranges(){return this._x_ranges}get y_ranges(){return this._y_ranges}get x_scales(){return this._x_scales}get y_scales(){return this._y_scales}get x_scale(){return this._x_scales.get("default")}get y_scale(){return this._y_scales.get("default")}get xscales(){return(0,l.to_object)(this.x_scales)}get yscales(){return(0,l.to_object)(this.y_scales)}}s.CartesianFrame=x,x.__name__="CartesianFrame"}, +function _(i,s,x,A,o){A(),o("Axis",i(128).Axis),o("CategoricalAxis",i(140).CategoricalAxis),o("ContinuousAxis",i(143).ContinuousAxis),o("DatetimeAxis",i(144).DatetimeAxis),o("LinearAxis",i(145).LinearAxis),o("LogAxis",i(162).LogAxis),o("MercatorAxis",i(165).MercatorAxis)}, +function _(t,e,i,s,a){s();const o=t(1);var l;const n=t(129),_=t(130),r=t(131),h=t(132),c=(0,o.__importStar)(t(48)),b=t(20),u=t(24),m=t(123),d=t(9),x=t(13),f=t(8),g=t(120),p=t(67),v=t(133),w=t(113),j=t(11),k=t(8),y=t(134),{abs:z}=Math;class M extends n.GuideRendererView{constructor(){super(...arguments),this._axis_label_view=null,this._major_label_views=new Map}async lazy_initialize(){await super.lazy_initialize(),await this._init_axis_label(),await this._init_major_labels()}async _init_axis_label(){const{axis_label:t}=this.model;if(null!=t){const e=(0,k.isString)(t)?(0,y.parse_delimited_string)(t):t;this._axis_label_view=await(0,w.build_view)(e,{parent:this})}else this._axis_label_view=null}async _init_major_labels(){const{major_label_overrides:t}=this.model;for(const[e,i]of(0,x.entries)(t)){const t=(0,k.isString)(i)?(0,y.parse_delimited_string)(i):i;this._major_label_views.set(e,await(0,w.build_view)(t,{parent:this}))}}update_layout(){this.layout=new m.SideLayout(this.panel,(()=>this.get_size()),!0),this.layout.on_resize((()=>this._coordinates=void 0))}get_size(){const{visible:t,fixed_location:e}=this.model;if(t&&null==e&&this.is_renderable){const{extents:t}=this;return{width:0,height:Math.round(t.tick+t.tick_label+t.axis_label)}}return{width:0,height:0}}get is_renderable(){const[t,e]=this.ranges;return t.is_valid&&e.is_valid}_render(){var t;if(!this.is_renderable)return;const{tick_coords:e,extents:i}=this,s=this.layer.ctx;s.save(),this._draw_rule(s,i),this._draw_major_ticks(s,i,e),this._draw_minor_ticks(s,i,e),this._draw_major_labels(s,i,e),this._draw_axis_label(s,i,e),null===(t=this._paint)||void 0===t||t.call(this,s,i,e),s.restore()}connect_signals(){super.connect_signals();const{axis_label:t,major_label_overrides:e}=this.model.properties;this.on_change(t,(async()=>{var t;null===(t=this._axis_label_view)||void 0===t||t.remove(),await this._init_axis_label()})),this.on_change(e,(async()=>{for(const t of this._major_label_views.values())t.remove();await this._init_major_labels()})),this.connect(this.model.change,(()=>this.plot_view.request_layout()))}get needs_clip(){return null!=this.model.fixed_location}_draw_rule(t,e){if(!this.visuals.axis_line.doit)return;const[i,s]=this.rule_coords,[a,o]=this.coordinates.map_to_screen(i,s),[l,n]=this.normals,[_,r]=this.offsets;this.visuals.axis_line.set_value(t),t.beginPath();for(let e=0;e0?s+i+3:0}_draw_axis_label(t,e,i){if(null==this._axis_label_view||null!=this.model.fixed_location)return;const[s,a]=(()=>{const{bbox:t}=this.layout;switch(this.panel.side){case"above":return[t.hcenter,t.bottom];case"below":return[t.hcenter,t.top];case"left":return[t.right,t.vcenter];case"right":return[t.left,t.vcenter]}})(),[o,l]=this.normals,n=e.tick+e.tick_label+this.model.axis_label_standoff,{vertical_align:_,align:r}=this.panel.get_label_text_heuristics("parallel"),h={sx:s+o*n,sy:a+l*n,x_anchor:r,y_anchor:_},c=this._axis_label_view.graphics();c.visuals=this.visuals.axis_label_text.values(),c.angle=this.panel.get_label_angle_heuristic("parallel"),this.plot_view.base_font_size&&(c.base_font_size=this.plot_view.base_font_size),c.position=h,c.align=r,c.paint(t)}_draw_ticks(t,e,i,s,a){if(!a.doit)return;const[o,l]=e,[n,_]=this.coordinates.map_to_screen(o,l),[r,h]=this.normals,[c,b]=this.offsets,[u,m]=[r*(c-i),h*(b-i)],[d,x]=[r*(c+s),h*(b+s)];a.set_value(t),t.beginPath();for(let e=0;et.bbox())),M=(()=>{const[t]=this.ranges;return t.is_reversed?0==this.dimension?(t,e)=>z[t].left-z[e].right:(t,e)=>z[e].top-z[t].bottom:0==this.dimension?(t,e)=>z[e].left-z[t].right:(t,e)=>z[t].top-z[e].bottom})(),{major_label_policy:O}=this.model,T=O.filter(k,z,M),A=[...T.ones()];if(0!=A.length){const t=this.parent.canvas_view.bbox,e=e=>{const i=z[e];if(i.left<0){const t=-i.left,{position:s}=y[e];y[e].position=Object.assign(Object.assign({},s),{sx:s.sx+t})}else if(i.right>t.width){const s=i.right-t.width,{position:a}=y[e];y[e].position=Object.assign(Object.assign({},a),{sx:a.sx-s})}},i=e=>{const i=z[e];if(i.top<0){const t=-i.top,{position:s}=y[e];y[e].position=Object.assign(Object.assign({},s),{sy:s.sy+t})}else if(i.bottom>t.height){const s=i.bottom-t.height,{position:a}=y[e];y[e].position=Object.assign(Object.assign({},a),{sy:a.sy-s})}},s=A[0],a=A[A.length-1];0==this.dimension?(e(s),e(a)):(i(s),i(a))}for(const e of T){y[e].paint(t)}}_tick_extent(){return this.model.major_tick_out}_tick_label_extents(){const t=this.tick_coords.major,e=this.compute_labels(t[this.dimension]),i=this.model.major_label_orientation,s=this.model.major_label_standoff,a=this.visuals.major_label_text;return[this._oriented_labels_extent(e,i,s,a)]}get extents(){const t=this._tick_label_extents();return{tick:this._tick_extent(),tick_labels:t,tick_label:(0,d.sum)(t),axis_label:this._axis_label_extent()}}_oriented_labels_extent(t,e,i,s){if(0==t.length||!s.doit)return 0;const a=this.panel.get_label_angle_heuristic(e);t.visuals=s.values(),t.angle=a,t.base_font_size=this.plot_view.base_font_size;const o=t.max_size(),l=0==this.dimension?o.height:o.width;return l>0?i+l+3:0}get normals(){return this.panel.normals}get dimension(){return this.panel.dimension}compute_labels(t){const e=this.model.formatter.format_graphics(t,this),{_major_label_views:i}=this,s=new Set;for(let a=0;az(l-n)?(t=r(_(a,o),l),s=_(r(a,o),n)):(t=_(a,o),s=r(a,o)),[t,s]}}get rule_coords(){const t=this.dimension,e=(t+1)%2,[i]=this.ranges,[s,a]=this.computed_bounds,o=[new Array(2),new Array(2)];return o[t][0]=Math.max(s,i.min),o[t][1]=Math.min(a,i.max),o[t][0]>o[t][1]&&(o[t][0]=o[t][1]=NaN),o[e][0]=this.loc,o[e][1]=this.loc,o}get tick_coords(){const t=this.dimension,e=(t+1)%2,[i]=this.ranges,[s,a]=this.computed_bounds,o=this.model.ticker.get_ticks(s,a,i,this.loc),l=o.major,n=o.minor,_=[[],[]],r=[[],[]],[h,c]=[i.min,i.max];for(let i=0;ic||(_[t].push(l[i]),_[e].push(this.loc));for(let i=0;ic||(r[t].push(n[i]),r[e].push(this.loc));return{major:_,minor:r}}get loc(){const{fixed_location:t}=this.model;if(null!=t){if((0,f.isNumber)(t))return t;const[,e]=this.ranges;if(e instanceof p.FactorRange)return e.synthetic(t);(0,j.unreachable)()}const[,e]=this.ranges;switch(this.panel.side){case"left":case"below":return e.start;case"right":case"above":return e.end}}serializable_state(){return Object.assign(Object.assign({},super.serializable_state()),{bbox:this.layout.bbox.box})}remove(){var t;null===(t=this._axis_label_view)||void 0===t||t.remove();for(const t of this._major_label_views.values())t.remove();super.remove()}has_finished(){if(!super.has_finished())return!1;if(null!=this._axis_label_view&&!this._axis_label_view.has_finished())return!1;for(const t of this._major_label_views.values())if(!t.has_finished())return!1;return!0}}i.AxisView=M,M.__name__="AxisView";class O extends n.GuideRenderer{constructor(t){super(t)}}i.Axis=O,l=O,O.__name__="Axis",l.prototype.default_view=M,l.mixins([["axis_",c.Line],["major_tick_",c.Line],["minor_tick_",c.Line],["major_label_",c.Text],["axis_label_",c.Text]]),l.define((({Any:t,Int:e,Number:i,String:s,Ref:a,Dict:o,Tuple:l,Or:n,Nullable:c,Auto:u})=>({bounds:[n(l(i,i),u),"auto"],ticker:[a(_.Ticker)],formatter:[a(r.TickFormatter)],axis_label:[c(n(s,a(v.BaseText))),null],axis_label_standoff:[e,5],major_label_standoff:[e,5],major_label_orientation:[n(b.TickLabelOrientation,i),"horizontal"],major_label_overrides:[o(n(s,a(v.BaseText))),{}],major_label_policy:[a(h.LabelingPolicy),()=>new h.AllLabels],major_tick_in:[i,2],major_tick_out:[i,6],minor_tick_in:[i,0],minor_tick_out:[i,4],fixed_location:[c(n(i,t)),null]}))),l.override({axis_line_color:"black",major_tick_line_color:"black",minor_tick_line_color:"black",major_label_text_font_size:"11px",major_label_text_align:"center",major_label_text_baseline:"alphabetic",axis_label_text_font_size:"13px",axis_label_text_font_style:"italic"})}, +function _(e,r,d,n,i){var s;n();const _=e(41);class u extends _.RendererView{}d.GuideRendererView=u,u.__name__="GuideRendererView";class c extends _.Renderer{constructor(e){super(e)}}d.GuideRenderer=c,s=c,c.__name__="GuideRenderer",s.override({level:"guide"})}, +function _(c,e,n,s,o){s();const r=c(53);class t extends r.Model{constructor(c){super(c)}}n.Ticker=t,t.__name__="Ticker"}, +function _(t,o,r,e,c){e();const n=t(53),a=t(120);class m extends n.Model{constructor(t){super(t)}format_graphics(t,o){return this.doFormat(t,o).map((t=>new a.TextBox({text:t})))}compute(t,o){return this.doFormat([t],null!=o?o:{loc:0})[0]}v_compute(t,o){return this.doFormat(t,null!=o?o:{loc:0})}}r.TickFormatter=m,m.__name__="TickFormatter"}, +function _(e,n,s,t,i){var c,r;t();const l=e(53),o=e(13),a=e(34),u=e(8),d=e(24);class _ extends l.Model{constructor(e){super(e)}}s.LabelingPolicy=_,_.__name__="LabelingPolicy";class f extends _{constructor(e){super(e)}filter(e,n,s){return e}}s.AllLabels=f,f.__name__="AllLabels";class m extends _{constructor(e){super(e)}filter(e,n,s){const{min_distance:t}=this;let i=null;for(const n of e)null!=i&&s(i,n)({min_distance:[e,5]})));class b extends _{constructor(e){super(e)}get names(){return(0,o.keys)(this.args)}get values(){return(0,o.values)(this.args)}get func(){const e=(0,a.use_strict)(this.code);return new d.GeneratorFunction("indices","bboxes","distance",...this.names,e)}filter(e,n,s){const t=Object.create(null),i=this.func.call(t,e,n,s,...this.values);let c=i.next();if(c.done&&void 0!==c.value){const{value:n}=c;return n instanceof d.Indices?n:void 0===n?e:(0,u.isIterable)(n)?d.Indices.from_indices(e.size,n):d.Indices.all_unset(e.size)}{const n=[];do{n.push(c.value),c=i.next()}while(!c.done);return d.Indices.from_indices(e.size,n)}}}s.CustomLabelingPolicy=b,r=b,b.__name__="CustomLabelingPolicy",r.define((({Unknown:e,String:n,Dict:s})=>({args:[s(e),{}],code:[n,""]})))}, +function _(e,s,t,n,a){var _;n();const x=e(53),c=e(42);class i extends c.View{}t.BaseTextView=i,i.__name__="BaseTextView";class o extends x.Model{constructor(e){super(e)}}t.BaseText=o,_=o,o.__name__="BaseText",_.define((({String:e})=>({text:[e]})))}, +function _(n,e,t,i,r){i();const s=n(135),l=n(139),d=[{start:"$$",end:"$$",inline:!1},{start:"\\[",end:"\\]",inline:!1},{start:"\\(",end:"\\)",inline:!0}];t.parse_delimited_string=function(n){for(const e of d){const t=n.indexOf(e.start),i=t+e.start.length;if(0==t){const t=n.indexOf(e.end,i),r=t;if(t==n.length-e.end.length)return new s.TeX({text:n.slice(i,r),inline:e.inline});break}}return new l.PlainText({text:n})}}, +function _(t,e,s,i,n){var o,r,a;i();const h=t(8),_=t(136),l=t(22),c=t(120),d=t(121),u=t(122),g=t(65),p=t(133),x=t(137);class m extends p.BaseTextView{constructor(){super(...arguments),this._position={sx:0,sy:0},this.align="left",this._x_anchor="left",this._y_anchor="center",this._base_font_size=13,this.font_size_scale=1,this.svg_image=null}graphics(){return this}infer_text_height(){return"ascent_descent"}set base_font_size(t){null!=t&&(this._base_font_size=t)}get base_font_size(){return this._base_font_size}get has_image_loaded(){return null!=this.svg_image}_rect(){const{width:t,height:e}=this._size(),{x:s,y:i}=this._computed_position();return new g.BBox({x:s,y:i,width:t,height:e}).rect}set position(t){this._position=t}get position(){return this._position}get text(){return this.model.text}get provider(){return x.default_provider}async lazy_initialize(){await super.lazy_initialize(),"not_started"==this.provider.status&&await this.provider.fetch(),"not_started"!=this.provider.status&&"loading"!=this.provider.status||this.provider.ready.connect((()=>this.load_image())),"loaded"==this.provider.status&&await this.load_image()}connect_signals(){super.connect_signals(),this.on_change(this.model.properties.text,(()=>this.load_image()))}set visuals(t){const e=t.color,s=t.alpha,i=t.font_style;let n=t.font_size;const o=t.font,{font_size_scale:r,_base_font_size:a}=this,h=(0,d.parse_css_font_size)(n);if(null!=h){let{value:t,unit:e}=h;t*=r,"em"==e&&a&&(t*=a,e="px"),n=`${t}${e}`}const _=`${i} ${n} ${o}`;this.font=_,this.color=(0,l.color2css)(e,s)}_computed_position(){const{width:t,height:e}=this._size(),{sx:s,sy:i,x_anchor:n=this._x_anchor,y_anchor:o=this._y_anchor}=this.position;return{x:s-(()=>{if((0,h.isNumber)(n))return n*t;switch(n){case"left":return 0;case"center":return.5*t;case"right":return t}})(),y:i-(()=>{if((0,h.isNumber)(o))return o*e;switch(o){case"top":return 0;case"center":return.5*e;case"bottom":return e;case"baseline":return.5*e}})()}}size(){const{width:t,height:e}=this._size(),{angle:s}=this;if(s){const i=Math.cos(Math.abs(s)),n=Math.sin(Math.abs(s));return{width:Math.abs(t*i+e*n),height:Math.abs(t*n+e*i)}}return{width:t,height:e}}get_text_dimensions(){return{width:(0,c.text_width)(this.model.text,this.font),height:(0,d.font_metrics)(this.font).height}}get_image_dimensions(){var t,e,s,i;const n=parseFloat(null!==(e=null===(t=this.svg_element.getAttribute("height"))||void 0===t?void 0:t.replace(/([A-z])/g,""))&&void 0!==e?e:"0"),o=parseFloat(null!==(i=null===(s=this.svg_element.getAttribute("width"))||void 0===s?void 0:s.replace(/([A-z])/g,""))&&void 0!==i?i:"0");return{width:(0,d.font_metrics)(this.font).x_height*o,height:(0,d.font_metrics)(this.font).x_height*n}}_size(){return this.has_image_loaded?this.get_image_dimensions():this.get_text_dimensions()}bbox(){const{p0:t,p1:e,p2:s,p3:i}=this.rect(),n=Math.min(t.x,e.x,s.x,i.x),o=Math.min(t.y,e.y,s.y,i.y),r=Math.max(t.x,e.x,s.x,i.x),a=Math.max(t.y,e.y,s.y,i.y);return new g.BBox({left:n,right:r,top:o,bottom:a})}rect(){const t=this._rect(),{angle:e}=this;if(e){const{sx:s,sy:i}=this.position,n=new u.AffineTransform;return n.translate(s,i),n.rotate(e),n.translate(-s,-i),n.apply_rect(t)}return t}paint_rect(t){const{p0:e,p1:s,p2:i,p3:n}=this.rect();t.save(),t.strokeStyle="red",t.lineWidth=1,t.beginPath();const{round:o}=Math;t.moveTo(o(e.x),o(e.y)),t.lineTo(o(s.x),o(s.y)),t.lineTo(o(i.x),o(i.y)),t.lineTo(o(n.x),o(n.y)),t.closePath(),t.stroke(),t.restore()}paint_bbox(t){const{x:e,y:s,width:i,height:n}=this.bbox();t.save(),t.strokeStyle="blue",t.lineWidth=1,t.beginPath();const{round:o}=Math;t.moveTo(o(e),o(s)),t.lineTo(o(e),o(s+n)),t.lineTo(o(e+i),o(s+n)),t.lineTo(o(e+i),o(s)),t.closePath(),t.stroke(),t.restore()}async load_image(){if(null==this.provider.MathJax)return null;const t=this._process_text(this.model.text);if(null==t)return this._has_finished=!0,null;const e=t.children[0];this.svg_element=e,e.setAttribute("font",this.font),e.setAttribute("stroke",this.color);const s=e.outerHTML,i=new Blob([s],{type:"image/svg+xml"}),n=URL.createObjectURL(i);try{this.svg_image=await(0,_.load_image)(n)}finally{URL.revokeObjectURL(n)}return this.parent.request_layout(),this.svg_image}paint(t){t.save();const{sx:e,sy:s}=this.position;this.angle&&(t.translate(e,s),t.rotate(this.angle),t.translate(-e,-s));const{x:i,y:n}=this._computed_position();if(null!=this.svg_image){const{width:e,height:s}=this.get_image_dimensions();t.drawImage(this.svg_image,i,n,e,s)}else t.fillStyle=this.color,t.font=this.font,t.textAlign="left",t.textBaseline="alphabetic",t.fillText(this.model.text,i,n+(0,d.font_metrics)(this.font).ascent);t.restore(),this._has_finished||"failed"!=this.provider.status&&!this.has_image_loaded||(this._has_finished=!0,this.parent.notify_finished_after_paint())}}s.MathTextView=m,m.__name__="MathTextView";class f extends p.BaseText{constructor(t){super(t)}}s.MathText=f,f.__name__="MathText";class v extends m{_process_text(t){}}s.AsciiView=v,v.__name__="AsciiView";class y extends f{constructor(t){super(t)}}s.Ascii=y,o=y,y.__name__="Ascii",o.prototype.default_view=v;class w extends m{_process_text(t){var e;return null===(e=this.provider.MathJax)||void 0===e?void 0:e.mathml2svg(t.trim())}}s.MathMLView=w,w.__name__="MathMLView";class b extends f{constructor(t){super(t)}}s.MathML=b,r=b,b.__name__="MathML",r.prototype.default_view=w;class M extends m{_process_text(t){var e;return null===(e=this.provider.MathJax)||void 0===e?void 0:e.tex2svg(t,void 0,this.model.macros)}}s.TeXView=M,M.__name__="TeXView";class T extends f{constructor(t){super(t)}}s.TeX=T,a=T,T.__name__="TeX",a.prototype.default_view=M,a.define((({Boolean:t,Number:e,String:s,Dict:i,Tuple:n,Or:o})=>({macros:[i(o(s,n(s,e))),{}],inline:[t,!1]})))}, +function _(i,e,t,s,o){s();const a=i(19);t.load_image=async function(i,e){return new n(i,e).promise};class n{constructor(i,e={}){this._image=new Image,this._finished=!1;const{attempts:t=1,timeout:s=1}=e;this.promise=new Promise(((o,n)=>{this._image.crossOrigin="anonymous";let r=0;this._image.onerror=()=>{if(++r==t){const s=`unable to load ${i} image after ${t} attempts`;if(a.logger.warn(s),null==this._image.crossOrigin)return void(null!=e.failed&&e.failed());a.logger.warn(`attempting to load ${i} without a cross origin policy`),this._image.crossOrigin=null,r=0}setTimeout((()=>this._image.src=i),s)},this._image.onload=()=>{this._finished=!0,null!=e.loaded&&e.loaded(this._image),o(this._image)},this._image.src=i}))}get finished(){return this._finished}get image(){if(this._finished)return this._image;throw new Error("not loaded yet")}}t.ImageLoader=n,n.__name__="ImageLoader"}, +function _(t,e,a,s,n){var r=this&&this.__createBinding||(Object.create?function(t,e,a,s){void 0===s&&(s=a),Object.defineProperty(t,s,{enumerable:!0,get:function(){return e[a]}})}:function(t,e,a,s){void 0===s&&(s=a),t[s]=e[a]}),i=this&&this.__setModuleDefault||(Object.create?function(t,e){Object.defineProperty(t,"default",{enumerable:!0,value:e})}:function(t,e){t.default=e}),d=this&&this.__importStar||function(t){if(t&&t.__esModule)return t;var e={};if(null!=t)for(var a in t)"default"!==a&&Object.prototype.hasOwnProperty.call(t,a)&&r(e,t,a);return i(e,t),e};s();const o=t(15),u=t(138);class c{constructor(){this.ready=new o.Signal0(this,"ready"),this.status="not_started"}}a.MathJaxProvider=c,c.__name__="MathJaxProvider";class h extends c{get MathJax(){return null}async fetch(){this.status="failed"}}a.NoProvider=h,h.__name__="NoProvider";class l extends c{get MathJax(){return"undefined"!=typeof MathJax?MathJax:null}async fetch(){const t=document.createElement("script");t.src="https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-svg.js",t.onload=()=>{this.status="loaded",this.ready.emit()},t.onerror=()=>{this.status="failed"},this.status="loading",document.head.appendChild(t)}}a.CDNProvider=l,l.__name__="CDNProvider";class _ extends c{get MathJax(){return this._mathjax}async fetch(){this.status="loading";try{const e=await(0,u.load_module)(Promise.resolve().then((()=>d(t(515)))));this._mathjax=e,this.status="loaded",this.ready.emit()}catch(t){this.status="failed"}}}a.BundleProvider=_,_.__name__="BundleProvider",a.default_provider=new _}, +function _(n,r,o,t,c){t(),o.load_module=async function(n){try{return await n}catch(n){if((r=n)instanceof Error&&"code"in r&&"MODULE_NOT_FOUND"===n.code)return null;throw n}var r}}, +function _(e,t,i,n,s){var a;n();const x=e(133),_=e(120);class l extends x.BaseTextView{initialize(){super.initialize(),this._has_finished=!0}graphics(){return new _.TextBox({text:this.model.text})}}i.PlainTextView=l,l.__name__="PlainTextView";class r extends x.BaseText{constructor(e){super(e)}}i.PlainText=r,a=r,r.__name__="PlainText",a.prototype.default_view=l}, +function _(t,s,o,e,i){e();const r=t(1);var a;const l=t(128),_=t(141),n=t(142),p=(0,r.__importStar)(t(48)),c=t(20),h=t(120),m=t(8);class u extends l.AxisView{_paint(t,s,o){this._draw_group_separators(t,s,o)}_draw_group_separators(t,s,o){const[e]=this.ranges,[i,r]=this.computed_bounds;if(!e.tops||e.tops.length<2||!this.visuals.separator_line.doit)return;const a=this.dimension,l=(a+1)%2,_=[[],[]];let n=0;for(let t=0;ti&&pnew h.GraphicsBoxes(t.map((t=>(0,m.isString)(t)?new h.TextBox({text:t}):t))),_=t=>l(this.model.formatter.doFormat(t,this));if(1==t.levels){const t=_(i.major);a.push([t,r.major,this.model.major_label_orientation,this.visuals.major_label_text])}else if(2==t.levels){const t=_(i.major.map((t=>t[1])));a.push([t,r.major,this.model.major_label_orientation,this.visuals.major_label_text]),a.push([l(i.tops),r.tops,this.model.group_label_orientation,this.visuals.group_text])}else if(3==t.levels){const t=_(i.major.map((t=>t[2]))),s=i.mids.map((t=>t[1]));a.push([t,r.major,this.model.major_label_orientation,this.visuals.major_label_text]),a.push([l(s),r.mids,this.model.subgroup_label_orientation,this.visuals.subgroup_text]),a.push([l(i.tops),r.tops,this.model.group_label_orientation,this.visuals.group_text])}return a}get tick_coords(){const t=this.dimension,s=(t+1)%2,[o]=this.ranges,[e,i]=this.computed_bounds,r=this.model.ticker.get_ticks(e,i,o,this.loc),a={major:[[],[]],mids:[[],[]],tops:[[],[]],minor:[[],[]]};return a.major[t]=r.major,a.major[s]=r.major.map((()=>this.loc)),3==o.levels&&(a.mids[t]=r.mids,a.mids[s]=r.mids.map((()=>this.loc))),o.levels>1&&(a.tops[t]=r.tops,a.tops[s]=r.tops.map((()=>this.loc))),a}}o.CategoricalAxisView=u,u.__name__="CategoricalAxisView";class d extends l.Axis{constructor(t){super(t)}}o.CategoricalAxis=d,a=d,d.__name__="CategoricalAxis",a.prototype.default_view=u,a.mixins([["separator_",p.Line],["group_",p.Text],["subgroup_",p.Text]]),a.define((({Number:t,Or:s})=>({group_label_orientation:[s(c.TickLabelOrientation,t),"parallel"],subgroup_label_orientation:[s(c.TickLabelOrientation,t),"parallel"]}))),a.override({ticker:()=>new _.CategoricalTicker,formatter:()=>new n.CategoricalTickFormatter,separator_line_color:"lightgrey",separator_line_width:2,group_text_font_style:"bold",group_text_font_size:"11px",group_text_color:"grey",subgroup_text_font_style:"bold",subgroup_text_font_size:"11px"})}, +function _(t,c,o,s,e){s();const r=t(130);class i extends r.Ticker{constructor(t){super(t)}get_ticks(t,c,o,s){var e,r;return{major:this._collect(o.factors,o,t,c),minor:[],tops:this._collect(null!==(e=o.tops)&&void 0!==e?e:[],o,t,c),mids:this._collect(null!==(r=o.mids)&&void 0!==r?r:[],o,t,c)}}_collect(t,c,o,s){const e=[];for(const r of t){const t=c.synthetic(r);t>o&&tnew _.DatetimeTicker,formatter:()=>new m.DatetimeTickFormatter})}, +function _(e,i,s,n,r){var t;n();const a=e(143),o=e(146),c=e(147);class _ extends a.ContinuousAxisView{}s.LinearAxisView=_,_.__name__="LinearAxisView";class u extends a.ContinuousAxis{constructor(e){super(e)}}s.LinearAxis=u,t=u,u.__name__="LinearAxis",t.prototype.default_view=_,t.override({ticker:()=>new c.BasicTicker,formatter:()=>new o.BasicTickFormatter})}, +function _(i,t,e,n,o){var r;n();const s=i(131),c=i(34);function _(i){let t="";for(const e of i)t+="-"==e?"\u2212":e;return t}e.unicode_replace=_;class a extends s.TickFormatter{constructor(i){super(i),this.last_precision=3}get scientific_limit_low(){return 10**this.power_limit_low}get scientific_limit_high(){return 10**this.power_limit_high}_need_sci(i){if(!this.use_scientific)return!1;const{scientific_limit_high:t}=this,{scientific_limit_low:e}=this,n=i.length<2?0:Math.abs(i[1]-i[0])/1e4;for(const o of i){const i=Math.abs(o);if(!(i<=n)&&(i>=t||i<=e))return!0}return!1}_format_with_precision(i,t,e){return t?i.map((i=>_(i.toExponential(e)))):i.map((i=>_((0,c.to_fixed)(i,e))))}_auto_precision(i,t){const e=new Array(i.length),n=this.last_precision<=15;i:for(let o=this.last_precision;n?o<=15:o>=1;n?o++:o--){if(t){e[0]=i[0].toExponential(o);for(let t=1;t({precision:[n(t,e),"auto"],use_scientific:[i,!0],power_limit_high:[t,5],power_limit_low:[t,-3]})))}, +function _(c,e,s,i,n){i();const r=c(148);class t extends r.AdaptiveTicker{constructor(c){super(c)}}s.BasicTicker=t,t.__name__="BasicTicker"}, +function _(t,i,a,s,e){var n;s();const r=t(149),_=t(9),l=t(10);class h extends r.ContinuousTicker{constructor(t){super(t)}get_min_interval(){return this.min_interval}get_max_interval(){var t;return null!==(t=this.max_interval)&&void 0!==t?t:1/0}initialize(){super.initialize();const t=(0,_.nth)(this.mantissas,-1)/this.base,i=(0,_.nth)(this.mantissas,0)*this.base;this.extended_mantissas=[t,...this.mantissas,i],this.base_factor=0===this.get_min_interval()?1:this.get_min_interval()}get_interval(t,i,a){const s=i-t,e=this.get_ideal_interval(t,i,a),n=Math.floor((0,l.log)(e/this.base_factor,this.base)),r=this.base**n*this.base_factor,h=this.extended_mantissas,m=h.map((t=>Math.abs(a-s/(t*r)))),v=h[(0,_.argmin)(m)]*r;return(0,l.clamp)(v,this.get_min_interval(),this.get_max_interval())}}a.AdaptiveTicker=h,n=h,h.__name__="AdaptiveTicker",n.define((({Number:t,Array:i,Nullable:a})=>({base:[t,10],mantissas:[i(t),[1,2,5]],min_interval:[t,0],max_interval:[a(t),null]})))}, +function _(t,n,i,s,e){var o;s();const r=t(130),c=t(9);class _ extends r.Ticker{constructor(t){super(t)}get_ticks(t,n,i,s){return this.get_ticks_no_defaults(t,n,s,this.desired_num_ticks)}get_ticks_no_defaults(t,n,i,s){const e=this.get_interval(t,n,s),o=Math.floor(t/e),r=Math.ceil(n/e);let _;_=isFinite(o)&&isFinite(r)?(0,c.range)(o,r+1):[];const u=_.map((t=>t*e)).filter((i=>t<=i&&i<=n)),a=this.num_minor_ticks,f=[];if(a>0&&u.length>0){const i=e/a,s=(0,c.range)(0,a).map((t=>t*i));for(const i of s.slice(1)){const s=u[0]-i;t<=s&&s<=n&&f.push(s)}for(const i of u)for(const e of s){const s=i+e;t<=s&&s<=n&&f.push(s)}}return{major:u,minor:f}}get_ideal_interval(t,n,i){return(n-t)/i}}i.ContinuousTicker=_,o=_,_.__name__="ContinuousTicker",o.define((({Int:t})=>({num_minor_ticks:[t,5],desired_num_ticks:[t,6]})))}, +function _(s,t,e,n,i){n();var r;const o=(0,s(1).__importDefault)(s(151)),a=s(131),c=s(19),u=s(152),m=s(9),h=s(8);function d(s){return(0,o.default)(s,"%Y %m %d %H %M %S").split(/\s+/).map((s=>parseInt(s,10)))}function l(s,t){if((0,h.isFunction)(t))return t(s);{const e=(0,u.sprintf)("$1%06d",function(s){return Math.round(s/1e3%1*1e6)}(s));return-1==(t=t.replace(/((^|[^%])(%%)*)%f/,e)).indexOf("%")?t:(0,o.default)(s,t)}}const f=["microseconds","milliseconds","seconds","minsec","minutes","hourmin","hours","days","months","years"];class _ extends a.TickFormatter{constructor(s){super(s),this.strip_leading_zeros=!0}initialize(){super.initialize(),this._update_width_formats()}_update_width_formats(){const s=+(0,o.default)(new Date),t=function(t){const e=t.map((t=>l(s,t).length)),n=(0,m.sort_by)((0,m.zip)(e,t),(([s])=>s));return(0,m.unzip)(n)};this._width_formats={microseconds:t(this.microseconds),milliseconds:t(this.milliseconds),seconds:t(this.seconds),minsec:t(this.minsec),minutes:t(this.minutes),hourmin:t(this.hourmin),hours:t(this.hours),days:t(this.days),months:t(this.months),years:t(this.years)}}_get_resolution_str(s,t){const e=1.1*s;switch(!1){case!(e<.001):return"microseconds";case!(e<1):return"milliseconds";case!(e<60):return t>=60?"minsec":"seconds";case!(e<3600):return t>=3600?"hourmin":"minutes";case!(e<86400):return"hours";case!(e<2678400):return"days";case!(e<31536e3):return"months";default:return"years"}}doFormat(s,t){if(0==s.length)return[];const e=Math.abs(s[s.length-1]-s[0])/1e3,n=e/(s.length-1),i=this._get_resolution_str(n,e),[,[r]]=this._width_formats[i],o=[],a=f.indexOf(i),u={};for(const s of f)u[s]=0;u.seconds=5,u.minsec=4,u.minutes=4,u.hourmin=3,u.hours=3;for(const t of s){let s,e;try{e=d(t),s=l(t,r)}catch(s){c.logger.warn(`unable to format tick for timestamp value ${t}`),c.logger.warn(` - ${s}`),o.push("ERR");continue}let n=!1,m=a;for(;0==e[u[f[m]]];){let r;if(m+=1,m==f.length)break;if(("minsec"==i||"hourmin"==i)&&!n){if("minsec"==i&&0==e[4]&&0!=e[5]||"hourmin"==i&&0==e[3]&&0!=e[4]){r=this._width_formats[f[a-1]][1][0],s=l(t,r);break}n=!0}r=this._width_formats[f[m]][1][0],s=l(t,r)}if(this.strip_leading_zeros){let t=s.replace(/^0+/g,"");t!=s&&isNaN(parseInt(t))&&(t=`0${t}`),o.push(t)}else o.push(s)}return o}}e.DatetimeTickFormatter=_,r=_,_.__name__="DatetimeTickFormatter",r.define((({String:s,Array:t})=>({microseconds:[t(s),["%fus"]],milliseconds:[t(s),["%3Nms","%S.%3Ns"]],seconds:[t(s),["%Ss"]],minsec:[t(s),[":%M:%S"]],minutes:[t(s),[":%M","%Mm"]],hourmin:[t(s),["%H:%M"]],hours:[t(s),["%Hh","%H:%M"]],days:[t(s),["%m/%d","%a%d"]],months:[t(s),["%m/%Y","%b %Y"]],years:[t(s),["%Y"]]})))}, +function _(e,t,n,r,o){!function(e){"object"==typeof t&&t.exports?t.exports=e():"function"==typeof define?define(e):this.tz=e()}((function(){function e(e,t,n){var r,o=t.day[1];do{r=new Date(Date.UTC(n,t.month,Math.abs(o++)))}while(t.day[0]<7&&r.getUTCDay()!=t.day[0]);return(r={clock:t.clock,sort:r.getTime(),rule:t,save:6e4*t.save,offset:e.offset})[r.clock]=r.sort+6e4*t.time,r.posix?r.wallclock=r[r.clock]+(e.offset+t.saved):r.posix=r[r.clock]-(e.offset+t.saved),r}function t(t,n,r){var o,a,u,i,l,s,c,f=t[t.zone],h=[],T=new Date(r).getUTCFullYear(),g=1;for(o=1,a=f.length;o=T-g;--c)for(o=0,a=s.length;o=h[o][n]&&h[o][h[o].clock]>u[h[o].clock]&&(i=h[o])}return i&&((l=/^(.*)\/(.*)$/.exec(u.format))?i.abbrev=l[i.save?2:1]:i.abbrev=u.format.replace(/%s/,i.rule.letter)),i||u}function n(e,n){return"UTC"==e.zone?n:(e.entry=t(e,"posix",n),n+e.entry.offset+e.entry.save)}function r(e,n){return"UTC"==e.zone?n:(e.entry=r=t(e,"wallclock",n),0<(o=n-r.wallclock)&&o9)t+=s*l[c-10];else{if(a=new Date(n(e,t)),c<7)for(;s;)a.setUTCDate(a.getUTCDate()+i),a.getUTCDay()==c&&(s-=i);else 7==c?a.setUTCFullYear(a.getUTCFullYear()+s):8==c?a.setUTCMonth(a.getUTCMonth()+s):a.setUTCDate(a.getUTCDate()+s);null==(t=r(e,a.getTime()))&&(t=r(e,a.getTime()+864e5*i)-864e5*i)}return t}var a={clock:function(){return+new Date},zone:"UTC",entry:{abbrev:"UTC",offset:0,save:0},UTC:1,z:function(e,t,n,r){var 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r=e-t,s=this.get_ideal_interval(t,e,i),n=[(0,a.sorted_index)(this.min_intervals,s)-1,(0,a.sorted_index)(this.max_intervals,s)],_=[this.min_intervals[n[0]],this.max_intervals[n[1]]].map((t=>Math.abs(i-r/t)));let l;if((0,a.is_empty)(_.filter((t=>!isNaN(t)))))l=this.tickers[0];else{const t=n[(0,a.argmin)(_)];l=this.tickers[t]}return l}get_interval(t,e,i){return this.get_best_ticker(t,e,i).get_interval(t,e,i)}get_ticks_no_defaults(t,e,i,r){return this.get_best_ticker(t,e,r).get_ticks_no_defaults(t,e,i,r)}}i.CompositeTicker=l,n=l,l.__name__="CompositeTicker",n.define((({Array:t,Ref:e})=>({tickers:[t(e(_.ContinuousTicker)),[]]})))}, +function _(t,e,n,s,o){var a;s();const i=t(158),r=t(159),c=t(9);class _ extends i.SingleIntervalTicker{constructor(t){super(t)}initialize(){super.initialize();const t=this.days;t.length>1?this.interval=(t[1]-t[0])*r.ONE_DAY:this.interval=31*r.ONE_DAY}get_ticks_no_defaults(t,e,n,s){const o=function(t,e){const n=(0,r.last_month_no_later_than)(new Date(t)),s=(0,r.last_month_no_later_than)(new Date(e));s.setUTCMonth(s.getUTCMonth()+1);const o=[],a=n;for(;o.push((0,r.copy_date)(a)),a.setUTCMonth(a.getUTCMonth()+1),!(a>s););return o}(t,e),a=this.days,i=this.interval,_=(0,c.concat)(o.map((t=>((t,e)=>{const n=t.getUTCMonth(),s=[];for(const o of a){const a=(0,r.copy_date)(t);a.setUTCDate(o),new Date(a.getTime()+e/2).getUTCMonth()==n&&s.push(a)}return s})(t,i))));return{major:_.map((t=>t.getTime())).filter((n=>t<=n&&n<=e)),minor:[]}}}n.DaysTicker=_,a=_,_.__name__="DaysTicker",a.define((({Int:t,Array:e})=>({days:[e(t),[]]}))),a.override({num_minor_ticks:0})}, +function _(e,n,t,r,i){var a;r();const l=e(149);class s extends l.ContinuousTicker{constructor(e){super(e)}get_interval(e,n,t){return this.interval}get_min_interval(){return this.interval}get_max_interval(){return this.interval}}t.SingleIntervalTicker=s,a=s,s.__name__="SingleIntervalTicker",a.define((({Number:e})=>({interval:[e]})))}, +function _(t,n,e,_,E){function N(t){return new Date(t.getTime())}function O(t){const n=N(t);return n.setUTCDate(1),n.setUTCHours(0),n.setUTCMinutes(0),n.setUTCSeconds(0),n.setUTCMilliseconds(0),n}_(),e.ONE_MILLI=1,e.ONE_SECOND=1e3,e.ONE_MINUTE=60*e.ONE_SECOND,e.ONE_HOUR=60*e.ONE_MINUTE,e.ONE_DAY=24*e.ONE_HOUR,e.ONE_MONTH=30*e.ONE_DAY,e.ONE_YEAR=365*e.ONE_DAY,e.copy_date=N,e.last_month_no_later_than=O,e.last_year_no_later_than=function(t){const n=O(t);return n.setUTCMonth(0),n}}, +function _(t,e,n,a,r){var s;a();const i=t(158),o=t(159),l=t(9);class _ extends i.SingleIntervalTicker{constructor(t){super(t)}initialize(){super.initialize();const t=this.months;t.length>1?this.interval=(t[1]-t[0])*o.ONE_MONTH:this.interval=12*o.ONE_MONTH}get_ticks_no_defaults(t,e,n,a){const r=function(t,e){const n=(0,o.last_year_no_later_than)(new Date(t)),a=(0,o.last_year_no_later_than)(new Date(e));a.setUTCFullYear(a.getUTCFullYear()+1);const r=[],s=n;for(;r.push((0,o.copy_date)(s)),s.setUTCFullYear(s.getUTCFullYear()+1),!(s>a););return r}(t,e),s=this.months;return{major:(0,l.concat)(r.map((t=>s.map((e=>{const n=(0,o.copy_date)(t);return n.setUTCMonth(e),n}))))).map((t=>t.getTime())).filter((n=>t<=n&&n<=e)),minor:[]}}}n.MonthsTicker=_,s=_,_.__name__="MonthsTicker",s.define((({Int:t,Array:e})=>({months:[e(t),[]]})))}, +function _(e,t,a,i,r){i();const n=e(147),_=e(158),s=e(159);class c extends _.SingleIntervalTicker{constructor(e){super(e)}initialize(){super.initialize(),this.interval=s.ONE_YEAR,this.basic_ticker=new n.BasicTicker({num_minor_ticks:0})}get_ticks_no_defaults(e,t,a,i){const r=(0,s.last_year_no_later_than)(new Date(e)).getUTCFullYear(),n=(0,s.last_year_no_later_than)(new Date(t)).getUTCFullYear();return{major:this.basic_ticker.get_ticks_no_defaults(r,n,a,i).major.map((e=>Date.UTC(e,0,1))).filter((a=>e<=a&&a<=t)),minor:[]}}}a.YearsTicker=c,c.__name__="YearsTicker"}, +function _(e,o,i,s,t){var n;s();const r=e(143),_=e(163),c=e(164);class a extends r.ContinuousAxisView{}i.LogAxisView=a,a.__name__="LogAxisView";class u extends r.ContinuousAxis{constructor(e){super(e)}}i.LogAxis=u,n=u,u.__name__="LogAxis",n.prototype.default_view=a,n.override({ticker:()=>new c.LogTicker,formatter:()=>new _.LogTickFormatter})}, +function _(e,t,n,o,r){var i;o();const a=e(131),s=e(146),c=e(164),l=e(120),{abs:u,log:x,round:_}=Math;class p extends a.TickFormatter{constructor(e){super(e)}initialize(){super.initialize(),this.basic_formatter=new s.BasicTickFormatter}format_graphics(e,t){var n,o;if(0==e.length)return[];const r=null!==(o=null===(n=this.ticker)||void 0===n?void 0:n.base)&&void 0!==o?o:10,i=this._exponents(e,r);return null==i?this.basic_formatter.format_graphics(e,t):i.map((e=>{if(u(e)u(e)({ticker:[n(t(c.LogTicker)),null],min_exponent:[e,0]})))}, +function _(t,o,e,s,n){var r;s();const i=t(148),a=t(9);class c extends i.AdaptiveTicker{constructor(t){super(t)}get_ticks_no_defaults(t,o,e,s){const n=this.num_minor_ticks,r=[],i=this.base,c=Math.log(t)/Math.log(i),f=Math.log(o)/Math.log(i),l=f-c;let h;if(isFinite(l))if(l<2){const e=this.get_interval(t,o,s),i=Math.floor(t/e),c=Math.ceil(o/e);if(h=(0,a.range)(i,c+1).filter((t=>0!=t)).map((t=>t*e)).filter((e=>t<=e&&e<=o)),n>0&&h.length>0){const t=e/n,o=(0,a.range)(0,n).map((o=>o*t));for(const t of o.slice(1))r.push(h[0]-t);for(const t of h)for(const e of o)r.push(t+e)}}else{const t=Math.ceil(.999999*c),o=Math.floor(1.000001*f),e=Math.ceil((o-t)/9);if(h=(0,a.range)(t-1,o+1,e).map((t=>i**t)),n>0&&h.length>0){const t=i**e/n,o=(0,a.range)(1,n+1).map((o=>o*t));for(const t of o)r.push(h[0]/t);r.push(h[0]);for(const t of h)for(const e of o)r.push(t*e)}}else h=[];return{major:h.filter((e=>t<=e&&e<=o)),minor:r.filter((e=>t<=e&&e<=o))}}}e.LogTicker=c,r=c,c.__name__="LogTicker",r.override({mantissas:[1,5]})}, +function _(e,r,t,i,a){var o;i();const s=e(128),c=e(145),n=e(166),_=e(167);class x extends s.AxisView{}t.MercatorAxisView=x,x.__name__="MercatorAxisView";class d extends c.LinearAxis{constructor(e){super(e)}}t.MercatorAxis=d,o=d,d.__name__="MercatorAxis",o.prototype.default_view=x,o.override({ticker:()=>new _.MercatorTicker({dimension:"lat"}),formatter:()=>new n.MercatorTickFormatter({dimension:"lat"})})}, +function _(r,t,e,o,n){var i;o();const c=r(146),s=r(20),a=r(78);class l extends c.BasicTickFormatter{constructor(r){super(r)}doFormat(r,t){if(null==this.dimension)throw new Error("MercatorTickFormatter.dimension not configured");if(0==r.length)return[];const e=r.length,o=new Array(e);if("lon"==this.dimension)for(let n=0;n({dimension:[r(s.LatLon),null]})))}, +function _(t,o,n,s,r){var e;s();const i=t(147),c=t(20),_=t(78);class a extends i.BasicTicker{constructor(t){super(t)}get_ticks_no_defaults(t,o,n,s){if(null==this.dimension)throw new Error(`${this}.dimension wasn't configured`);return[t,o]=(0,_.clip_mercator)(t,o,this.dimension),"lon"==this.dimension?this._get_ticks_lon(t,o,n,s):this._get_ticks_lat(t,o,n,s)}_get_ticks_lon(t,o,n,s){const[r]=_.wgs84_mercator.invert(t,n),[e,i]=_.wgs84_mercator.invert(o,n),c=super.get_ticks_no_defaults(r,e,n,s),a=[];for(const t of c.major)if((0,_.in_bounds)(t,"lon")){const[o]=_.wgs84_mercator.compute(t,i);a.push(o)}const m=[];for(const t of c.minor)if((0,_.in_bounds)(t,"lon")){const[o]=_.wgs84_mercator.compute(t,i);m.push(o)}return{major:a,minor:m}}_get_ticks_lat(t,o,n,s){const[,r]=_.wgs84_mercator.invert(n,t),[e,i]=_.wgs84_mercator.invert(n,o),c=super.get_ticks_no_defaults(r,i,n,s),a=[];for(const t of c.major)if((0,_.in_bounds)(t,"lat")){const[,o]=_.wgs84_mercator.compute(e,t);a.push(o)}const m=[];for(const t of c.minor)if((0,_.in_bounds)(t,"lat")){const[,o]=_.wgs84_mercator.compute(e,t);m.push(o)}return{major:a,minor:m}}}n.MercatorTicker=a,e=a,a.__name__="MercatorTicker",e.define((({Nullable:t})=>({dimension:[t(c.LatLon),null]})))}, +function _(e,i,r,c,k){c(),k("AdaptiveTicker",e(148).AdaptiveTicker),k("BasicTicker",e(147).BasicTicker),k("CategoricalTicker",e(141).CategoricalTicker),k("CompositeTicker",e(156).CompositeTicker),k("ContinuousTicker",e(149).ContinuousTicker),k("DatetimeTicker",e(155).DatetimeTicker),k("DaysTicker",e(157).DaysTicker),k("FixedTicker",e(169).FixedTicker),k("LogTicker",e(164).LogTicker),k("MercatorTicker",e(167).MercatorTicker),k("MonthsTicker",e(160).MonthsTicker),k("SingleIntervalTicker",e(158).SingleIntervalTicker),k("Ticker",e(130).Ticker),k("YearsTicker",e(161).YearsTicker),k("BinnedTicker",e(170).BinnedTicker)}, +function _(r,t,e,i,n){var s;i();const _=r(149);class c extends _.ContinuousTicker{constructor(r){super(r)}get_ticks_no_defaults(r,t,e,i){return{major:this.ticks,minor:this.minor_ticks}}get_interval(r,t,e){return 0}get_min_interval(){return 0}get_max_interval(){return 0}}e.FixedTicker=c,s=c,c.__name__="FixedTicker",s.define((({Number:r,Array:t})=>({ticks:[t(r),[]],minor_ticks:[t(r),[]]})))}, +function _(e,n,t,r,i){var o;r();const a=e(130),s=e(171),c=e(12);class m extends a.Ticker{constructor(e){super(e)}get_ticks(e,n,t,r){const{binning:i}=this.mapper.metrics,o=Math.max(0,(0,c.left_edge_index)(e,i)),a=Math.min((0,c.left_edge_index)(n,i)+1,i.length-1),s=[];for(let e=o;e<=a;e++)s.push(i[e]);const{num_major_ticks:m}=this,_=[],h="auto"==m?s.length:m,l=Math.max(1,Math.floor(s.length/h));for(let e=0;e({mapper:[n(s.ScanningColorMapper)],num_major_ticks:[t(e,r),8]})))}, +function _(n,e,i,r,o){r();const t=n(172),a=n(12);class c extends t.ContinuousColorMapper{constructor(n){super(n)}cmap(n,e,i,r,o){if(no.binning[o.binning.length-1])return r;return e[(0,a.left_edge_index)(n,o.binning)]}}i.ScanningColorMapper=c,c.__name__="ScanningColorMapper"}, +function _(t,e,o,n,s){var l;n();const c=t(173),i=t(175),a=t(9),h=t(8);class r extends c.ColorMapper{constructor(t){super(t),this._scan_data=null}connect_signals(){super.connect_signals();const t=()=>{for(const[t]of this.domain)this.connect(t.view.change,(()=>this.update_data())),this.connect(t.data_source.selected.change,(()=>this.update_data()))};this.connect(this.properties.domain.change,(()=>t())),t()}update_data(){const{domain:t,palette:e}=this,o=[...this._collect(t)];this._scan_data=this.scan(o,e.length),this.metrics_change.emit(),this.change.emit()}get metrics(){return null==this._scan_data&&this.update_data(),this._scan_data}*_collect(t){for(const[e,o]of t)for(const t of(0,h.isArray)(o)?o:[o]){let o=e.data_source.get_column(t);o=e.view.indices.select(o);const n=e.view.masked,s=e.data_source.selected.indices;let l;if(null!=n&&s.length>0?l=(0,a.intersection)([...n],s):null!=n?l=[...n]:s.length>0&&(l=s),null!=l&&(o=(0,a.map)(l,(t=>o[t]))),o.length>0&&!(0,h.isNumber)(o[0]))for(const t of o)yield*t;else yield*o}}_v_compute(t,e,o,n){const{nan_color:s}=n;let{low_color:l,high_color:c}=n;null==l&&(l=o[0]),null==c&&(c=o[o.length-1]);const{domain:i}=this,h=(0,a.is_empty)(i)?t:[...this._collect(i)];this._scan_data=this.scan(h,o.length),this.metrics_change.emit();for(let n=0,i=t.length;n({high:[a(t),null],low:[a(t),null],high_color:[a(n),null],low_color:[a(n),null],domain:[c(l(o(i.GlyphRenderer),s(e,c(e)))),[]]})))}, +function _(e,r,t,n,o){var a;n();const c=e(174),i=e(15),_=e(24),l=e(22),s=e(27);function p(e){return(0,l.encode_rgba)((0,l.color2rgba)(e))}function u(e){const r=new Uint32Array(e.length);for(let t=0,n=e.length;te))),r}get rgba_mapper(){const e=this,r=u(this.palette),t=this._colors(p);return{v_compute(n){const o=new _.ColorArray(n.length);return e._v_compute(n,o,r,t),new Uint8ClampedArray((0,s.to_big_endian)(o).buffer)}}}_colors(e){return{nan_color:e(this.nan_color)}}}t.ColorMapper=h,a=h,h.__name__="ColorMapper",a.define((({Color:e,Array:r})=>({palette:[r(e)],nan_color:[e,"gray"]})))}, +function _(r,e,n,s,o){s();const p=r(56);class t extends p.Transform{constructor(r){super(r)}compute(r){throw new Error("mapping single values is not supported")}}n.Mapper=t,t.__name__="Mapper"}, +function _(e,t,i,s,l){var h;s();const n=e(176),o=e(177),a=e(186),c=e(187),_=e(189),r=e(179),d=e(70),p=e(190),g=e(24),u=e(12),y=e(13),m=e(113),v=e(67),f={fill:{},line:{}},w={fill:{fill_alpha:.3,fill_color:"grey"},line:{line_alpha:.3,line_color:"grey"}},b={fill:{fill_alpha:.2},line:{}},V={fill:{fill_alpha:.2},line:{}};class x extends n.DataRendererView{get glyph_view(){return this.glyph}async lazy_initialize(){var e;await super.lazy_initialize();const t=this.model.glyph;this.glyph=await this.build_glyph_view(t);const i="fill"in this.glyph.visuals,s="line"in this.glyph.visuals,l=Object.assign({},t.attributes);function h(e){const h=(0,y.clone)(l);return i&&(0,y.extend)(h,e.fill),s&&(0,y.extend)(h,e.line),new t.constructor(h)}function n(e,t){return t instanceof r.Glyph?t:h("auto"==t?e:{fill:{},line:{}})}delete l.id;let{selection_glyph:o,nonselection_glyph:a,hover_glyph:c,muted_glyph:_}=this.model;o=n(f,o),this.selection_glyph=await this.build_glyph_view(o),a=n(b,a),this.nonselection_glyph=await this.build_glyph_view(a),null!=c&&(this.hover_glyph=await this.build_glyph_view(c)),_=n(V,_),this.muted_glyph=await this.build_glyph_view(_);const d=n(w,"auto");this.decimated_glyph=await this.build_glyph_view(d),this.selection_glyph.set_base(this.glyph),this.nonselection_glyph.set_base(this.glyph),null===(e=this.hover_glyph)||void 0===e||e.set_base(this.glyph),this.muted_glyph.set_base(this.glyph),this.decimated_glyph.set_base(this.glyph),this.set_data()}async build_glyph_view(e){return(0,m.build_view)(e,{parent:this})}remove(){var e;this.glyph.remove(),this.selection_glyph.remove(),this.nonselection_glyph.remove(),null===(e=this.hover_glyph)||void 0===e||e.remove(),this.muted_glyph.remove(),this.decimated_glyph.remove(),super.remove()}connect_signals(){super.connect_signals();const e=()=>this.request_render(),t=()=>this.update_data();this.connect(this.model.change,e),this.connect(this.glyph.model.change,t),this.connect(this.selection_glyph.model.change,t),this.connect(this.nonselection_glyph.model.change,t),null!=this.hover_glyph&&this.connect(this.hover_glyph.model.change,t),this.connect(this.muted_glyph.model.change,t),this.connect(this.decimated_glyph.model.change,t),this.connect(this.model.data_source.change,t),this.connect(this.model.data_source.streaming,t),this.connect(this.model.data_source.patching,(e=>this.update_data(e))),this.connect(this.model.data_source.selected.change,e),this.connect(this.model.data_source._select,e),null!=this.hover_glyph&&this.connect(this.model.data_source.inspect,e),this.connect(this.model.properties.view.change,t),this.connect(this.model.view.properties.indices.change,t),this.connect(this.model.view.properties.masked.change,(()=>this.set_visuals())),this.connect(this.model.properties.visible.change,(()=>this.plot_view.invalidate_dataranges=!0));const{x_ranges:i,y_ranges:s}=this.plot_view.frame;for(const[,e]of i)e instanceof v.FactorRange&&this.connect(e.change,t);for(const[,e]of s)e instanceof v.FactorRange&&this.connect(e.change,t);const{transformchange:l,exprchange:h}=this.model.glyph;this.connect(l,t),this.connect(h,t)}_update_masked_indices(){const e=this.glyph.mask_data();return this.model.view.masked=e,e}update_data(e){this.set_data(e),this.request_render()}set_data(e){const t=this.model.data_source;this.all_indices=this.model.view.indices;const{all_indices:i}=this;this.glyph.set_data(t,i,e),this.set_visuals(),this._update_masked_indices();const{lod_factor:s}=this.plot_model,l=this.all_indices.count;this.decimated=new g.Indices(l);for(let e=0;e!n||n.is_empty()?[]:n.selected_glyph?this.model.view.convert_indices_from_subset(i):n.indices.length>0?n.indices:Object.keys(n.multiline_indices).map((e=>parseInt(e))))()),d=(0,u.filter)(i,(e=>r.has(t[e]))),{lod_threshold:p}=this.plot_model;let g,y,m;if(null!=this.model.document&&this.model.document.interactive_duration()>0&&!e&&null!=p&&t.length>p?(i=[...this.decimated],g=this.decimated_glyph,y=this.decimated_glyph,m=this.selection_glyph):(g=this.model.muted?this.muted_glyph:this.glyph,y=this.nonselection_glyph,m=this.selection_glyph),null!=this.hover_glyph&&d.length){const e=new Set(i);for(const t of d)e.delete(t);i=[...e]}if(h.length){const e={};for(const t of h)e[t]=!0;const l=new Array,n=new Array;if(this.glyph instanceof o.LineView)for(const i of t)null!=e[i]?l.push(i):n.push(i);else for(const s of i)null!=e[t[s]]?l.push(s):n.push(s);y.render(s,n),m.render(s,l),null!=this.hover_glyph&&(this.glyph instanceof o.LineView?this.hover_glyph.render(s,this.model.view.convert_indices_from_subset(d)):this.hover_glyph.render(s,d))}else if(this.glyph instanceof o.LineView)this.hover_glyph&&d.length?this.hover_glyph.render(s,this.model.view.convert_indices_from_subset(d)):g.render(s,t);else if(this.glyph instanceof a.PatchView||this.glyph instanceof c.HAreaView||this.glyph instanceof _.VAreaView)if(0==n.selected_glyphs.length||null==this.hover_glyph)g.render(s,t);else for(const e of n.selected_glyphs)e==this.glyph.model&&this.hover_glyph.render(s,t);else g.render(s,i),this.hover_glyph&&d.length&&this.hover_glyph.render(s,d);s.restore()}draw_legend(e,t,i,s,l,h,n,o){0!=this.glyph.data_size&&(null==o&&(o=this.model.get_reference_point(h,n)),this.glyph.draw_legend_for_index(e,{x0:t,x1:i,y0:s,y1:l},o))}hit_test(e){if(!this.model.visible)return null;const t=this.glyph.hit_test(e);return null==t?null:this.model.view.convert_selection_from_subset(t)}}i.GlyphRendererView=x,x.__name__="GlyphRendererView";class G extends n.DataRenderer{constructor(e){super(e)}initialize(){super.initialize(),this.view.source!=this.data_source&&(this.view.source=this.data_source,this.view.compute_indices())}get_reference_point(e,t){if(null!=e){const i=this.data_source.get_column(e);if(null!=i)for(const[e,s]of Object.entries(this.view.indices_map))if(i[parseInt(e)]==t)return s}return 0}get_selection_manager(){return this.data_source.selection_manager}}i.GlyphRenderer=G,h=G,G.__name__="GlyphRenderer",h.prototype.default_view=x,h.define((({Boolean:e,Auto:t,Or:i,Ref:s,Null:l,Nullable:h})=>({data_source:[s(d.ColumnarDataSource)],view:[s(p.CDSView),e=>new p.CDSView({source:e.data_source})],glyph:[s(r.Glyph)],hover_glyph:[h(s(r.Glyph)),null],nonselection_glyph:[i(s(r.Glyph),t,l),"auto"],selection_glyph:[i(s(r.Glyph),t,l),"auto"],muted_glyph:[i(s(r.Glyph),t,l),"auto"],muted:[e,!1]})))}, +function _(e,r,t,a,n){var s;a();const c=e(41);class _ extends c.RendererView{get xscale(){return this.coordinates.x_scale}get yscale(){return this.coordinates.y_scale}}t.DataRendererView=_,_.__name__="DataRendererView";class i extends c.Renderer{constructor(e){super(e)}get selection_manager(){return this.get_selection_manager()}}t.DataRenderer=i,s=i,i.__name__="DataRenderer",s.override({level:"glyph"})}, +function _(e,t,i,s,n){s();const l=e(1);var _;const r=e(178),o=e(184),a=(0,l.__importStar)(e(48)),h=(0,l.__importStar)(e(185)),c=e(72);class d extends r.XYGlyphView{async lazy_initialize(){await super.lazy_initialize();const{webgl:t}=this.renderer.plot_view.canvas_view;if(null==t?void 0:t.regl_wrapper.has_webgl){const{LineGL:i}=await Promise.resolve().then((()=>(0,l.__importStar)(e(421))));this.glglyph=new i(t.regl_wrapper,this)}}_render(e,t,i){const{sx:s,sy:n}=null!=i?i:this;let l=null;const _=e=>null!=l&&e-l!=1;let r=!0;e.beginPath();for(const i of t){const t=s[i],o=n[i];isFinite(t+o)?r||_(i)?(e.moveTo(t,o),r=!1):e.lineTo(t,o):r=!0,l=i}this.visuals.line.set_value(e),e.stroke()}_hit_point(e){const t=new c.Selection,i={x:e.sx,y:e.sy};let s=9999;const n=Math.max(2,this.line_width.value/2);for(let e=0,l=this.sx.length-1;e({x:[c.XCoordinateSpec,{field:"x"}],y:[c.YCoordinateSpec,{field:"y"}]})))}, +function _(e,t,s,i,n){i();const r=e(1),a=(0,r.__importStar)(e(18)),o=(0,r.__importStar)(e(65)),_=(0,r.__importStar)(e(45)),l=e(42),c=e(53),h=e(19),d=e(24),u=e(8),f=e(180),p=e(12),g=e(26),y=e(181),x=e(67),v=e(72),{abs:b,ceil:m}=Math;class w extends l.View{constructor(){super(...arguments),this._index=null,this._data_size=null,this._nohit_warned=new Set}get renderer(){return this.parent}get has_webgl(){return null!=this.glglyph}get index(){const{_index:e}=this;if(null!=e)return e;throw new Error(`${this}.index_data() wasn't called`)}get data_size(){const{_data_size:e}=this;if(null!=e)return e;throw new Error(`${this}.set_data() wasn't called`)}initialize(){super.initialize(),this.visuals=new _.Visuals(this)}request_render(){this.parent.request_render()}get canvas(){return this.renderer.parent.canvas_view}render(e,t,s){var i;null!=this.glglyph&&(this.renderer.needs_webgl_blit=this.glglyph.render(e,t,null!==(i=this.base)&&void 0!==i?i:this),this.renderer.needs_webgl_blit)||this._render(e,t,null!=s?s:this.base)}has_finished(){return!0}notify_finished(){this.renderer.notify_finished()}_bounds(e){return e}bounds(){return this._bounds(this.index.bbox)}log_bounds(){const{x0:e,x1:t}=this.index.bounds(o.positive_x()),{y0:s,y1:i}=this.index.bounds(o.positive_y());return this._bounds({x0:e,y0:s,x1:t,y1:i})}get_anchor_point(e,t,[s,i]){switch(e){case"center":case"center_center":{const[e,n]=this.scenterxy(t,s,i);return{x:e,y:n}}default:return null}}scenterx(e,t,s){return this.scenterxy(e,t,s)[0]}scentery(e,t,s){return this.scenterxy(e,t,s)[1]}sdist(e,t,s,i="edge",n=!1){const r=t.length,a=new d.ScreenArray(r),o=e.s_compute;if("center"==i)for(let e=0;em(e))),a}draw_legend_for_index(e,t,s){}hit_test(e){switch(e.type){case"point":if(null!=this._hit_point)return this._hit_point(e);break;case"span":if(null!=this._hit_span)return this._hit_span(e);break;case"rect":if(null!=this._hit_rect)return this._hit_rect(e);break;case"poly":if(null!=this._hit_poly)return this._hit_poly(e)}return this._nohit_warned.has(e.type)||(h.logger.debug(`'${e.type}' selection not available for ${this.model.type}`),this._nohit_warned.add(e.type)),null}_hit_rect_against_index(e){const{sx0:t,sx1:s,sy0:i,sy1:n}=e,[r,a]=this.renderer.coordinates.x_scale.r_invert(t,s),[o,_]=this.renderer.coordinates.y_scale.r_invert(i,n),l=[...this.index.indices({x0:r,x1:a,y0:o,y1:_})];return new v.Selection({indices:l})}_project_data(){}*_iter_visuals(){for(const e of this.visuals)for(const t of e)(t instanceof a.VectorSpec||t instanceof a.ScalarSpec)&&(yield t)}set_base(e){e!=this&&e instanceof this.constructor&&(this.base=e)}_configure(e,t){Object.defineProperty(this,(0,u.isString)(e)?e:e.attr,Object.assign({configurable:!0,enumerable:!0},t))}set_visuals(e,t){var s;for(const s of this._iter_visuals()){const{base:i}=this;if(null!=i){const e=i.model.properties[s.attr];if(null!=e&&(0,g.is_equal)(s.get_value(),e.get_value())){this._configure(s,{get:()=>i[`${s.attr}`]});continue}}const n=s.uniform(e).select(t);this._configure(s,{value:n})}for(const e of this.visuals)e.update();this._set_visuals(),null===(s=this.glglyph)||void 0===s||s.set_visuals_changed()}_set_visuals(){}set_data(e,t,s){var i;const{x_source:n,y_source:r}=this.renderer.coordinates,o=new Set(this._iter_visuals());this._data_size=t.count;for(const s of this.model)if((s instanceof a.VectorSpec||s instanceof a.ScalarSpec)&&!o.has(s))if(s instanceof a.BaseCoordinateSpec){const i=s.array(e);let o=t.select(i);const _="x"==s.dimension?n:r;if(_ instanceof x.FactorRange)if(s instanceof a.CoordinateSpec)o=_.v_synthetic(o);else if(s instanceof a.CoordinateSeqSpec)for(let e=0;e{const s=new Uint32Array(r);for(let a=0;a>1;t[s]>i?e=s:n=s+1}return t[n]}class r extends d.default{get boxes(){return this._boxes}search_indices(i,t,n,e){if(this._pos!==this._boxes.length)throw new Error("Data not yet indexed - call index.finish().");let s=this._boxes.length-4;const d=[],x=new o.Indices(this.numItems);for(;void 0!==s;){const o=Math.min(s+4*this.nodeSize,h(s,this._levelBounds));for(let h=s;h>2],r=this._boxes[h+0],l=this._boxes[h+1],a=this._boxes[h+2],_=this._boxes[h+3];na||t>_||(s<4*this.numItems?x.set(o):d.push(o)))}s=d.pop()}return x}}r.__name__="_FlatBush";class l{constructor(i){this.index=null,i>0&&(this.index=new r(i))}add_rect(i,t,n,e){var s;isFinite(i+t+n+e)?null===(s=this.index)||void 0===s||s.add(i,t,n,e):this.add_empty()}add_point(i,t){var n;isFinite(i+t)?null===(n=this.index)||void 0===n||n.add(i,t,i,t):this.add_empty()}add_empty(){var i;null===(i=this.index)||void 0===i||i.add(1/0,1/0,-1/0,-1/0)}finish(){var i;null===(i=this.index)||void 0===i||i.finish()}_normalize(i){let{x0:t,y0:n,x1:e,y1:s}=i;return t>e&&([t,e]=[e,t]),n>s&&([n,s]=[s,n]),{x0:t,y0:n,x1:e,y1:s}}get bbox(){if(null==this.index)return(0,x.empty)();{const{minX:i,minY:t,maxX:n,maxY:e}=this.index;return{x0:i,y0:t,x1:n,y1:e}}}indices(i){if(null==this.index)return new o.Indices(0);{const{x0:t,y0:n,x1:e,y1:s}=this._normalize(i);return this.index.search_indices(t,n,e,s)}}bounds(i){const t=(0,x.empty)();if(null==this.index)return t;const{boxes:n}=this.index;for(const e of this.indices(i)){const s=n[4*e+0],d=n[4*e+1],o=n[4*e+2],x=n[4*e+3];s>=i.x0&&st.x1&&(t.x1=o),d>=i.y0&&dt.y1&&(t.y1=x)}return t}}n.SpatialIndex=l,l.__name__="SpatialIndex"}, +function _(t,s,i,e,h){e();const n=(0,t(1).__importDefault)(t(183)),o=[Int8Array,Uint8Array,Uint8ClampedArray,Int16Array,Uint16Array,Int32Array,Uint32Array,Float32Array,Float64Array];class r{static from(t){if(!(t instanceof ArrayBuffer))throw new Error("Data must be an instance of ArrayBuffer.");const[s,i]=new Uint8Array(t,0,2);if(251!==s)throw new Error("Data does not appear to be in a Flatbush format.");if(i>>4!=3)throw new Error(`Got v${i>>4} data when expected v3.`);const[e]=new Uint16Array(t,2,1),[h]=new Uint32Array(t,4,1);return new r(h,e,o[15&i],t)}constructor(t,s=16,i=Float64Array,e){if(void 0===t)throw new Error("Missing required argument: numItems.");if(isNaN(t)||t<=0)throw new Error(`Unpexpected numItems value: ${t}.`);this.numItems=+t,this.nodeSize=Math.min(Math.max(+s,2),65535);let h=t,r=h;this._levelBounds=[4*h];do{h=Math.ceil(h/this.nodeSize),r+=h,this._levelBounds.push(4*r)}while(1!==h);this.ArrayType=i||Float64Array,this.IndexArrayType=r<16384?Uint16Array:Uint32Array;const a=o.indexOf(this.ArrayType),_=4*r*this.ArrayType.BYTES_PER_ELEMENT;if(a<0)throw new Error(`Unexpected typed array class: ${i}.`);e&&e instanceof ArrayBuffer?(this.data=e,this._boxes=new this.ArrayType(this.data,8,4*r),this._indices=new this.IndexArrayType(this.data,8+_,r),this._pos=4*r,this.minX=this._boxes[this._pos-4],this.minY=this._boxes[this._pos-3],this.maxX=this._boxes[this._pos-2],this.maxY=this._boxes[this._pos-1]):(this.data=new ArrayBuffer(8+_+r*this.IndexArrayType.BYTES_PER_ELEMENT),this._boxes=new this.ArrayType(this.data,8,4*r),this._indices=new this.IndexArrayType(this.data,8+_,r),this._pos=0,this.minX=1/0,this.minY=1/0,this.maxX=-1/0,this.maxY=-1/0,new Uint8Array(this.data,0,2).set([251,48+a]),new Uint16Array(this.data,2,1)[0]=s,new Uint32Array(this.data,4,1)[0]=t),this._queue=new n.default}add(t,s,i,e){const h=this._pos>>2;return this._indices[h]=h,this._boxes[this._pos++]=t,this._boxes[this._pos++]=s,this._boxes[this._pos++]=i,this._boxes[this._pos++]=e,tthis.maxX&&(this.maxX=i),e>this.maxY&&(this.maxY=e),h}finish(){if(this._pos>>2!==this.numItems)throw new Error(`Added ${this._pos>>2} items when expected ${this.numItems}.`);if(this.numItems<=this.nodeSize)return this._boxes[this._pos++]=this.minX,this._boxes[this._pos++]=this.minY,this._boxes[this._pos++]=this.maxX,void(this._boxes[this._pos++]=this.maxY);const t=this.maxX-this.minX,s=this.maxY-this.minY,i=new Uint32Array(this.numItems);for(let e=0;e>2]=t,this._boxes[this._pos++]=e,this._boxes[this._pos++]=h,this._boxes[this._pos++]=n,this._boxes[this._pos++]=o}}}search(t,s,i,e,h){if(this._pos!==this._boxes.length)throw new Error("Data not yet indexed - call index.finish().");let n=this._boxes.length-4;const o=[],r=[];for(;void 0!==n;){const a=Math.min(n+4*this.nodeSize,_(n,this._levelBounds));for(let _=n;_>2];ithis._boxes[_+2]||s>this._boxes[_+3]||(n<4*this.numItems?(void 0===h||h(a))&&r.push(a):o.push(a)))}n=o.pop()}return r}neighbors(t,s,i=1/0,e=1/0,h){if(this._pos!==this._boxes.length)throw new Error("Data not yet indexed - call index.finish().");let n=this._boxes.length-4;const o=this._queue,r=[],x=e*e;for(;void 0!==n;){const e=Math.min(n+4*this.nodeSize,_(n,this._levelBounds));for(let i=n;i>2],r=a(t,this._boxes[i],this._boxes[i+2]),_=a(s,this._boxes[i+1],this._boxes[i+3]),x=r*r+_*_;n<4*this.numItems?(void 0===h||h(e))&&o.push(-e-1,x):o.push(e,x)}for(;o.length&&o.peek()<0;){if(o.peekValue()>x)return 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r(e,n,{x0:a,x1:t,y0:i,y1:l},r){n.save(),n.beginPath(),n.moveTo(a,(i+l)/2),n.lineTo(t,(i+l)/2),e.line.apply(n,r),n.restore()}function c(e,n,{x0:a,x1:t,y0:i,y1:l},r){var c,o;const _=.1*Math.abs(t-a),s=.1*Math.abs(l-i),y=a+_,p=t-_,g=i+s,h=l-s;n.beginPath(),n.rect(y,g,p-y,h-g),e.fill.apply(n,r),null===(c=e.hatch)||void 0===c||c.apply(n,r),null===(o=e.line)||void 0===o||o.apply(n,r)}a.generic_line_scalar_legend=function(e,n,{x0:a,x1:t,y0:i,y1:l}){n.save(),n.beginPath(),n.moveTo(a,(i+l)/2),n.lineTo(t,(i+l)/2),e.line.apply(n),n.restore()},a.generic_line_vector_legend=r,a.generic_line_legend=r,a.generic_area_scalar_legend=function(e,n,{x0:a,x1:t,y0:i,y1:l}){var r,c;const o=.1*Math.abs(t-a),_=.1*Math.abs(l-i),s=a+o,y=t-o,p=i+_,g=l-_;n.beginPath(),n.rect(s,p,y-s,g-p),e.fill.apply(n),null===(r=e.hatch)||void 0===r||r.apply(n),null===(c=e.line)||void 0===c||c.apply(n)},a.generic_area_vector_legend=c,a.generic_area_legend=c,a.line_interpolation=function(e,n,a,t,i,r){const{sx:c,sy:o}=n;let _,s,y,p;"point"==n.type?([y,p]=e.yscale.r_invert(o-1,o+1),[_,s]=e.xscale.r_invert(c-1,c+1)):"v"==n.direction?([y,p]=e.yscale.r_invert(o,o),[_,s]=[Math.min(a-1,i-1),Math.max(a+1,i+1)]):([_,s]=e.xscale.r_invert(c,c),[y,p]=[Math.min(t-1,r-1),Math.max(t+1,r+1)]);const{x:g,y:h}=l.check_2_segments_intersect(_,y,s,p,a,t,i,r);return[g,h]}}, +function _(t,n,e,i,r){function s(t,n){return(t.x-n.x)**2+(t.y-n.y)**2}function o(t,n,e){const i=s(n,e);if(0==i)return s(t,n);const r=((t.x-n.x)*(e.x-n.x)+(t.y-n.y)*(e.y-n.y))/i;if(r<0)return s(t,n);if(r>1)return s(t,e);return s(t,{x:n.x+r*(e.x-n.x),y:n.y+r*(e.y-n.y)})}i(),e.point_in_poly=function(t,n,e,i){let r=!1,s=e[e.length-1],o=i[i.length-1];for(let u=0;u0&&_<1&&h>0&&h<1,x:t+_*(e-t),y:n+_*(i-n)}}}}, +function _(t,s,e,i,a){i();const l=t(1);var n;const _=t(178),o=t(184),c=(0,l.__importStar)(t(185)),h=(0,l.__importStar)(t(48)),r=t(72);class p extends _.XYGlyphView{_render(t,s,e){const{sx:i,sy:a}=null!=e?e:this;let l=!0;t.beginPath();for(const e of s){const s=i[e],n=a[e];isFinite(s+n)?l?(t.moveTo(s,n),l=!1):t.lineTo(s,n):(t.closePath(),l=!0)}t.closePath(),this.visuals.fill.apply(t),this.visuals.hatch.apply(t),this.visuals.line.apply(t)}draw_legend_for_index(t,s,e){(0,o.generic_area_scalar_legend)(this.visuals,t,s)}_hit_point(t){const s=new r.Selection;return c.point_in_poly(t.sx,t.sy,this.sx,this.sy)&&(s.add_to_selected_glyphs(this.model),s.view=this),s}}e.PatchView=p,p.__name__="PatchView";class d extends _.XYGlyph{constructor(t){super(t)}}e.Patch=d,n=d,d.__name__="Patch",n.prototype.default_view=p,n.mixins([h.LineScalar,h.FillScalar,h.HatchScalar])}, +function _(e,t,s,i,r){i();const n=e(1);var a;const _=e(24),h=e(188),o=(0,n.__importStar)(e(185)),l=(0,n.__importStar)(e(18)),c=e(72);class d extends h.AreaView{_index_data(e){const{min:t,max:s}=Math,{data_size:i}=this;for(let r=0;r=0;t--)e.lineTo(r[t],n[t]);e.closePath(),this.visuals.fill.apply(e),this.visuals.hatch.apply(e)}_hit_point(e){const t=this.sy.length,s=new _.ScreenArray(2*t),i=new _.ScreenArray(2*t);for(let e=0,r=t;e({x1:[l.XCoordinateSpec,{field:"x1"}],x2:[l.XCoordinateSpec,{field:"x2"}],y:[l.YCoordinateSpec,{field:"y"}]})))}, +function _(e,a,r,_,s){_();const n=e(1);var c;const i=e(179),l=e(184),t=(0,n.__importStar)(e(48));class o extends i.GlyphView{draw_legend_for_index(e,a,r){(0,l.generic_area_scalar_legend)(this.visuals,e,a)}}r.AreaView=o,o.__name__="AreaView";class d extends i.Glyph{constructor(e){super(e)}}r.Area=d,c=d,d.__name__="Area",c.mixins([t.FillScalar,t.HatchScalar])}, +function _(e,t,s,i,r){i();const n=e(1);var a;const _=e(24),h=e(188),o=(0,n.__importStar)(e(185)),l=(0,n.__importStar)(e(18)),c=e(72);class y extends h.AreaView{_index_data(e){const{min:t,max:s}=Math,{data_size:i}=this;for(let r=0;r=0;t--)e.lineTo(i[t],n[t]);e.closePath(),this.visuals.fill.apply(e),this.visuals.hatch.apply(e)}scenterxy(e){return[this.sx[e],(this.sy1[e]+this.sy2[e])/2]}_hit_point(e){const t=this.sx.length,s=new _.ScreenArray(2*t),i=new _.ScreenArray(2*t);for(let e=0,r=t;e({x:[l.XCoordinateSpec,{field:"x"}],y1:[l.YCoordinateSpec,{field:"y1"}],y2:[l.YCoordinateSpec,{field:"y2"}]})))}, +function _(e,i,s,t,n){var c;t();const o=e(53),r=e(24),u=e(191),_=e(70);class a extends o.Model{constructor(e){super(e)}initialize(){super.initialize(),this.compute_indices()}connect_signals(){super.connect_signals(),this.connect(this.properties.filters.change,(()=>this.compute_indices()));const e=()=>{const e=()=>this.compute_indices();null!=this.source&&(this.connect(this.source.change,e),this.source instanceof _.ColumnarDataSource&&(this.connect(this.source.streaming,e),this.connect(this.source.patching,e)))};let i=null!=this.source;i?e():this.connect(this.properties.source.change,(()=>{i||(e(),i=!0)}))}compute_indices(){var e;const{source:i}=this;if(null==i)return;const s=null!==(e=i.get_length())&&void 0!==e?e:1,t=r.Indices.all_set(s);for(const e of this.filters)t.intersect(e.compute_indices(i));this.indices=t,this._indices=[...t],this.indices_map_to_subset()}indices_map_to_subset(){this.indices_map={};for(let e=0;ethis._indices[e]))}convert_selection_to_subset(e){return e.map((e=>this.indices_map[e]))}convert_indices_from_subset(e){return e.map((e=>this._indices[e]))}}s.CDSView=a,c=a,a.__name__="CDSView",c.define((({Array:e,Ref:i})=>({filters:[e(i(u.Filter)),[]],source:[i(_.ColumnarDataSource)]}))),c.internal((({Int:e,Dict:i,Ref:s,Nullable:t})=>({indices:[s(r.Indices)],indices_map:[i(e),{}],masked:[t(s(r.Indices)),null]})))}, +function _(e,t,n,s,c){s();const o=e(53);class r extends o.Model{constructor(e){super(e)}}n.Filter=r,r.__name__="Filter"}, +function _(t,r,a,e,c){e(),c("BasicTickFormatter",t(146).BasicTickFormatter),c("CategoricalTickFormatter",t(142).CategoricalTickFormatter),c("DatetimeTickFormatter",t(150).DatetimeTickFormatter),c("FuncTickFormatter",t(193).FuncTickFormatter),c("LogTickFormatter",t(163).LogTickFormatter),c("MercatorTickFormatter",t(166).MercatorTickFormatter),c("NumeralTickFormatter",t(194).NumeralTickFormatter),c("PrintfTickFormatter",t(195).PrintfTickFormatter),c("TickFormatter",t(131).TickFormatter)}, +function _(t,e,n,s,r){var c;s();const i=t(131),a=t(13),u=t(34);class o extends i.TickFormatter{constructor(t){super(t)}get names(){return(0,a.keys)(this.args)}get values(){return(0,a.values)(this.args)}_make_func(){const t=(0,u.use_strict)(this.code);return new Function("tick","index","ticks",...this.names,t)}doFormat(t,e){const n=this._make_func().bind({});return t.map(((t,e,s)=>`${n(t,e,s,...this.values)}`))}}n.FuncTickFormatter=o,c=o,o.__name__="FuncTickFormatter",c.define((({Unknown:t,String:e,Dict:n})=>({args:[n(t),{}],code:[e,""]})))}, +function _(r,n,t,o,e){o();var a;const u=(0,r(1).__importStar)(r(153)),c=r(131),i=r(20);class s extends c.TickFormatter{constructor(r){super(r)}get _rounding_fn(){switch(this.rounding){case"round":case"nearest":return Math.round;case"floor":case"rounddown":return Math.floor;case"ceil":case"roundup":return Math.ceil}}doFormat(r,n){const{format:t,language:o,_rounding_fn:e}=this;return r.map((r=>u.format(r,t,o,e)))}}t.NumeralTickFormatter=s,a=s,s.__name__="NumeralTickFormatter",a.define((({String:r})=>({format:[r,"0,0"],language:[r,"en"],rounding:[i.RoundingFunction,"round"]})))}, +function _(t,r,n,o,a){var e;o();const i=t(131),s=t(152);class c extends i.TickFormatter{constructor(t){super(t)}doFormat(t,r){return t.map((t=>(0,s.sprintf)(this.format,t)))}}n.PrintfTickFormatter=c,e=c,c.__name__="PrintfTickFormatter",e.define((({String:t})=>({format:[t,"%s"]})))}, +function _(r,o,a,p,e){p(),e("CategoricalColorMapper",r(197).CategoricalColorMapper),e("CategoricalMarkerMapper",r(199).CategoricalMarkerMapper),e("CategoricalPatternMapper",r(200).CategoricalPatternMapper),e("ContinuousColorMapper",r(172).ContinuousColorMapper),e("ColorMapper",r(173).ColorMapper),e("LinearColorMapper",r(201).LinearColorMapper),e("LogColorMapper",r(202).LogColorMapper),e("ScanningColorMapper",r(171).ScanningColorMapper),e("EqHistColorMapper",r(203).EqHistColorMapper)}, +function _(t,o,r,a,e){var c;a();const s=t(198),l=t(173),n=t(67);class _ extends l.ColorMapper{constructor(t){super(t)}_v_compute(t,o,r,{nan_color:a}){(0,s.cat_v_compute)(t,this.factors,r,o,this.start,this.end,a)}}r.CategoricalColorMapper=_,c=_,_.__name__="CategoricalColorMapper",c.define((({Number:t,Nullable:o})=>({factors:[n.FactorSeq],start:[t,0],end:[o(t),null]})))}, +function _(n,t,e,l,i){l();const c=n(12),u=n(8);function f(n,t){if(n.length!=t.length)return!1;for(let e=0,l=n.length;ef(n,h)))),s=_<0||_>=e.length?r:e[_],l[g]=s}}}, +function _(e,r,a,t,s){var c;t();const l=e(198),n=e(67),u=e(174),o=e(20);class p extends u.Mapper{constructor(e){super(e)}v_compute(e){const r=new Array(e.length);return(0,l.cat_v_compute)(e,this.factors,this.markers,r,this.start,this.end,this.default_value),r}}a.CategoricalMarkerMapper=p,c=p,p.__name__="CategoricalMarkerMapper",c.define((({Number:e,Array:r,Nullable:a})=>({factors:[n.FactorSeq],markers:[r(o.MarkerType)],start:[e,0],end:[a(e),null],default_value:[o.MarkerType,"circle"]})))}, +function _(t,e,a,r,n){var s;r();const c=t(198),l=t(67),p=t(174),u=t(20);class o extends p.Mapper{constructor(t){super(t)}v_compute(t){const e=new Array(t.length);return(0,c.cat_v_compute)(t,this.factors,this.patterns,e,this.start,this.end,this.default_value),e}}a.CategoricalPatternMapper=o,s=o,o.__name__="CategoricalPatternMapper",s.define((({Number:t,Array:e,Nullable:a})=>({factors:[l.FactorSeq],patterns:[e(u.HatchPatternType)],start:[t,0],end:[a(t),null],default_value:[u.HatchPatternType," "]})))}, +function _(n,r,o,t,a){t();const e=n(172),i=n(12);class s extends e.ContinuousColorMapper{constructor(n){super(n)}scan(n,r){const o=null!=this.low?this.low:(0,i.min)(n),t=null!=this.high?this.high:(0,i.max)(n);return{max:t,min:o,norm_factor:1/(t-o),normed_interval:1/r}}cmap(n,r,o,t,a){const e=r.length-1;if(n==a.max)return r[e];const i=(n-a.min)*a.norm_factor,s=Math.floor(i/a.normed_interval);return s<0?o:s>e?t:r[s]}}o.LinearColorMapper=s,s.__name__="LinearColorMapper"}, +function _(o,t,n,r,l){r();const a=o(172),s=o(12);class e extends a.ContinuousColorMapper{constructor(o){super(o)}scan(o,t){const n=null!=this.low?this.low:(0,s.min)(o),r=null!=this.high?this.high:(0,s.max)(o);return{max:r,min:n,scale:t/(Math.log(r)-Math.log(n))}}cmap(o,t,n,r,l){const a=t.length-1;if(o>l.max)return r;if(o==l.max)return t[a];if(oa&&(e=a),t[e]}}n.LogColorMapper=e,e.__name__="LogColorMapper"}, +function _(n,t,e,i,o){var s;i();const r=n(171),a=n(12),l=n(9),c=n(19);class h extends r.ScanningColorMapper{constructor(n){super(n)}scan(n,t){const e=null!=this.low?this.low:(0,a.min)(n),i=null!=this.high?this.high:(0,a.max)(n),o=this.bins,s=(0,l.linspace)(e,i,o+1),r=(0,a.bin_counts)(n,s),h=new Array(o);for(let n=0,t=s.length;nn/p));let m=t-1,f=[],M=0,_=2*t;for(;m!=t&&M<4&&0!=m;){const n=_/m;if(n>1e3)break;_=Math.round(Math.max(t*n,t));const e=(0,l.range)(0,_),i=(0,a.map)(u,(n=>n*(_-1)));f=(0,a.interpolate)(e,i,h);m=(0,l.uniq)(f).length-1,M++}if(0==m){f=[e,i];for(let n=0;n({bins:[n,65536]})))}, +function _(a,e,l,c,n){c(),n("CategoricalScale",a(62).CategoricalScale),n("ContinuousScale",a(60).ContinuousScale),n("LinearScale",a(59).LinearScale),n("LinearInterpolationScale",a(205).LinearInterpolationScale),n("LogScale",a(61).LogScale),n("Scale",a(55).Scale)}, +function _(e,r,n,t,a){var i;t();const s=e(55),o=e(59),c=e(12);class _ extends s.Scale{constructor(e){super(e)}connect_signals(){super.connect_signals();const{source_range:e,target_range:r}=this.properties;this.on_change([e,r],(()=>{this.linear_scale=new o.LinearScale({source_range:this.source_range,target_range:this.target_range})}))}get s_compute(){throw new Error("not implemented")}get s_invert(){throw new Error("not implemented")}compute(e){return e}v_compute(e){const{binning:r}=this,{start:n,end:t}=this.source_range,a=n,i=t,s=r.length,o=(t-n)/(s-1),_=new Float64Array(s);for(let e=0;e{if(ei)return i;const n=(0,c.left_edge_index)(e,r);if(-1==n)return a;if(n>=s-1)return i;const t=r[n],o=(e-t)/(r[n+1]-t),l=_[n];return l+o*(_[n+1]-l)}));return this.linear_scale.v_compute(l)}invert(e){return e}v_invert(e){return new Float64Array(e)}}n.LinearInterpolationScale=_,i=_,_.__name__="LinearInterpolationScale",i.internal((({Arrayable:e,Ref:r})=>({binning:[e],linear_scale:[r(o.LinearScale),e=>new o.LinearScale({source_range:e.source_range,target_range:e.target_range})]})))}, +function _(a,n,e,g,R){g(),R("DataRange",a(64).DataRange),R("DataRange1d",a(63).DataRange1d),R("FactorRange",a(67).FactorRange),R("Range",a(57).Range),R("Range1d",a(58).Range1d)}, +function _(a,o,i,t,e){t();var n=a(124);e("Sizeable",n.Sizeable),e("SizingPolicy",n.SizingPolicy);var c=a(125);e("Layoutable",c.Layoutable),e("LayoutItem",c.LayoutItem);var r=a(208);e("HStack",r.HStack),e("VStack",r.VStack);var l=a(209);e("Grid",l.Grid),e("Row",l.Row),e("Column",l.Column);var S=a(210);e("ContentBox",S.ContentBox),e("VariadicBox",S.VariadicBox)}, +function _(t,e,h,i,r){i();const n=t(125),o=t(65);class s extends n.Layoutable{constructor(){super(...arguments),this.children=[]}*[Symbol.iterator](){yield*this.children}}h.Stack=s,s.__name__="Stack";class c extends s{_measure(t){let e=0,h=0;for(const t of this.children){const i=t.measure({width:0,height:0});e+=i.width,h=Math.max(h,i.height)}return{width:e,height:h}}_set_geometry(t,e){super._set_geometry(t,e);const h=this.absolute?t.top:0;let i=this.absolute?t.left:0;const{height:r}=t;for(const t of this.children){const{width:e}=t.measure({width:0,height:0});t.set_geometry(new o.BBox({left:i,width:e,top:h,height:r})),i+=e}}}h.HStack=c,c.__name__="HStack";class a extends s{_measure(t){let e=0,h=0;for(const t of this.children){const i=t.measure({width:0,height:0});e=Math.max(e,i.width),h+=i.height}return{width:e,height:h}}_set_geometry(t,e){super._set_geometry(t,e);const h=this.absolute?t.left:0;let i=this.absolute?t.top:0;const{width:r}=t;for(const t of this.children){const{height:e}=t.measure({width:0,height:0});t.set_geometry(new o.BBox({top:i,height:e,left:h,width:r})),i+=e}}}h.VStack=a,a.__name__="VStack";class l extends n.Layoutable{constructor(){super(...arguments),this.children=[]}*[Symbol.iterator](){yield*this.children}_measure(t){const{width_policy:e,height_policy:h}=this.sizing,{min:i,max:r}=Math;let n=0,o=0;for(const e of this.children){const{width:h,height:i}=e.measure(t);n=r(n,h),o=r(o,i)}return{width:(()=>{const{width:h}=this.sizing;if(t.width==1/0)return"fixed"==e&&null!=h?h:n;switch(e){case"fixed":return null!=h?h:n;case"min":return n;case"fit":return null!=h?i(t.width,h):t.width;case"max":return null!=h?r(t.width,h):t.width}})(),height:(()=>{const{height:e}=this.sizing;if(t.height==1/0)return"fixed"==h&&null!=e?e:o;switch(h){case"fixed":return null!=e?e:o;case"min":return o;case"fit":return null!=e?i(t.height,e):t.height;case"max":return null!=e?r(t.height,e):t.height}})()}}_set_geometry(t,e){super._set_geometry(t,e);const h=this.absolute?t:t.relative(),{left:i,right:r,top:n,bottom:s}=h,c=Math.round(h.vcenter),a=Math.round(h.hcenter);for(const e of this.children){const{margin:h,halign:l,valign:d}=e.sizing,{width:u,height:g,inner:_}=e.measure(t),w=(()=>{switch(`${d}_${l}`){case"start_start":return new o.BBox({left:i+h.left,top:n+h.top,width:u,height:g});case"start_center":return new o.BBox({hcenter:a,top:n+h.top,width:u,height:g});case"start_end":return new o.BBox({right:r-h.right,top:n+h.top,width:u,height:g});case"center_start":return new o.BBox({left:i+h.left,vcenter:c,width:u,height:g});case"center_center":return new o.BBox({hcenter:a,vcenter:c,width:u,height:g});case"center_end":return new o.BBox({right:r-h.right,vcenter:c,width:u,height:g});case"end_start":return new o.BBox({left:i+h.left,bottom:s-h.bottom,width:u,height:g});case"end_center":return new o.BBox({hcenter:a,bottom:s-h.bottom,width:u,height:g});case"end_end":return new o.BBox({right:r-h.right,bottom:s-h.bottom,width:u,height:g})}})(),m=null==_?w:new o.BBox({left:w.left+_.left,top:w.top+_.top,right:w.right-_.right,bottom:w.bottom-_.bottom});e.set_geometry(w,m)}}}h.NodeLayout=l,l.__name__="NodeLayout"}, +function _(t,i,s,e,o){e();const n=t(124),l=t(125),r=t(8),h=t(65),c=t(9),{max:a,round:g}=Math;class p{constructor(t){this.def=t,this._map=new Map}get(t){let i=this._map.get(t);return void 0===i&&(i=this.def(),this._map.set(t,i)),i}apply(t,i){const s=this.get(t);this._map.set(t,i(s))}}p.__name__="DefaultMap";class f{constructor(){this._items=[],this._nrows=0,this._ncols=0}get nrows(){return this._nrows}get ncols(){return this._ncols}add(t,i){const{r1:s,c1:e}=t;this._nrows=a(this._nrows,s+1),this._ncols=a(this._ncols,e+1),this._items.push({span:t,data:i})}at(t,i){return this._items.filter((({span:s})=>s.r0<=t&&t<=s.r1&&s.c0<=i&&i<=s.c1)).map((({data:t})=>t))}row(t){return this._items.filter((({span:i})=>i.r0<=t&&t<=i.r1)).map((({data:t})=>t))}col(t){return this._items.filter((({span:i})=>i.c0<=t&&t<=i.c1)).map((({data:t})=>t))}foreach(t){for(const{span:i,data:s}of this._items)t(i,s)}map(t){const i=new f;for(const{span:s,data:e}of this._items)i.add(s,t(s,e));return i}}f.__name__="Container";class _ extends l.Layoutable{constructor(t=[]){super(),this.items=t,this.rows="auto",this.cols="auto",this.spacing=0}*[Symbol.iterator](){for(const{layout:t}of this.items)yield t}is_width_expanding(){if(super.is_width_expanding())return!0;if("fixed"==this.sizing.width_policy)return!1;const{cols:t}=this._state;return(0,c.some)(t,(t=>"max"==t.policy))}is_height_expanding(){if(super.is_height_expanding())return!0;if("fixed"==this.sizing.height_policy)return!1;const{rows:t}=this._state;return(0,c.some)(t,(t=>"max"==t.policy))}_init(){var t,i,s,e;super._init();const o=new f;for(const{layout:t,row:i,col:s,row_span:e,col_span:n}of this.items)if(t.sizing.visible){const l=i,r=s,h=i+(null!=e?e:1)-1,c=s+(null!=n?n:1)-1;o.add({r0:l,c0:r,r1:h,c1:c},t)}const{nrows:n,ncols:l}=o,h=new Array(n);for(let s=0;s{var t;const i=(0,r.isPlainObject)(this.rows)?null!==(t=this.rows[s])&&void 0!==t?t:this.rows["*"]:this.rows;return null==i?{policy:"auto"}:(0,r.isNumber)(i)?{policy:"fixed",height:i}:(0,r.isString)(i)?{policy:i}:i})(),n=null!==(t=e.align)&&void 0!==t?t:"auto";if("fixed"==e.policy)h[s]={policy:"fixed",height:e.height,align:n};else if("min"==e.policy)h[s]={policy:"min",align:n};else if("fit"==e.policy||"max"==e.policy)h[s]={policy:e.policy,flex:null!==(i=e.flex)&&void 0!==i?i:1,align:n};else{if("auto"!=e.policy)throw new Error("unrechable");(0,c.some)(o.row(s),(t=>t.is_height_expanding()))?h[s]={policy:"max",flex:1,align:n}:h[s]={policy:"min",align:n}}}const a=new Array(l);for(let t=0;t{var i;const s=(0,r.isPlainObject)(this.cols)?null!==(i=this.cols[t])&&void 0!==i?i:this.cols["*"]:this.cols;return null==s?{policy:"auto"}:(0,r.isNumber)(s)?{policy:"fixed",width:s}:(0,r.isString)(s)?{policy:s}:s})(),n=null!==(s=i.align)&&void 0!==s?s:"auto";if("fixed"==i.policy)a[t]={policy:"fixed",width:i.width,align:n};else if("min"==i.policy)a[t]={policy:"min",align:n};else if("fit"==i.policy||"max"==i.policy)a[t]={policy:i.policy,flex:null!==(e=i.flex)&&void 0!==e?e:1,align:n};else{if("auto"!=i.policy)throw new Error("unrechable");(0,c.some)(o.col(t),(t=>t.is_width_expanding()))?a[t]={policy:"max",flex:1,align:n}:a[t]={policy:"min",align:n}}}const[g,p]=(0,r.isNumber)(this.spacing)?[this.spacing,this.spacing]:this.spacing;this._state={items:o,nrows:n,ncols:l,rows:h,cols:a,rspacing:g,cspacing:p}}_measure_totals(t,i){const{nrows:s,ncols:e,rspacing:o,cspacing:n}=this._state;return{height:(0,c.sum)(t)+(s-1)*o,width:(0,c.sum)(i)+(e-1)*n}}_measure_cells(t){const{items:i,nrows:s,ncols:e,rows:o,cols:l,rspacing:r,cspacing:h}=this._state,c=new Array(s);for(let t=0;t{const{r0:e,c0:f,r1:d,c1:u}=i,w=(d-e)*r,m=(u-f)*h;let y=0;for(let i=e;i<=d;i++)y+=t(i,f).height;y+=w;let x=0;for(let i=f;i<=u;i++)x+=t(e,i).width;x+=m;const b=s.measure({width:x,height:y});_.add(i,{layout:s,size_hint:b});const z=new n.Sizeable(b).grow_by(s.sizing.margin);z.height-=w,z.width-=m;const v=[];for(let t=e;t<=d;t++){const i=o[t];"fixed"==i.policy?z.height-=i.height:v.push(t)}if(z.height>0){const t=g(z.height/v.length);for(const i of v)c[i]=a(c[i],t)}const j=[];for(let t=f;t<=u;t++){const i=l[t];"fixed"==i.policy?z.width-=i.width:j.push(t)}if(z.width>0){const t=g(z.width/j.length);for(const i of j)p[i]=a(p[i],t)}}));return{size:this._measure_totals(c,p),row_heights:c,col_widths:p,size_hints:_}}_measure_grid(t){const{nrows:i,ncols:s,rows:e,cols:o,rspacing:n,cspacing:l}=this._state,r=this._measure_cells(((t,i)=>{const s=e[t],n=o[i];return{width:"fixed"==n.policy?n.width:1/0,height:"fixed"==s.policy?s.height:1/0}}));let h;h="fixed"==this.sizing.height_policy&&null!=this.sizing.height?this.sizing.height:t.height!=1/0&&this.is_height_expanding()?t.height:r.size.height;let c,p=0;for(let t=0;t0)for(let t=0;ti?i:e,t--}}}c="fixed"==this.sizing.width_policy&&null!=this.sizing.width?this.sizing.width:t.width!=1/0&&this.is_width_expanding()?t.width:r.size.width;let f=0;for(let t=0;t0)for(let t=0;ts?s:o,t--}}}const{row_heights:_,col_widths:d,size_hints:u}=this._measure_cells(((t,i)=>({width:r.col_widths[i],height:r.row_heights[t]})));return{size:this._measure_totals(_,d),row_heights:_,col_widths:d,size_hints:u}}_measure(t){const{size:i}=this._measure_grid(t);return i}_set_geometry(t,i){super._set_geometry(t,i);const{nrows:s,ncols:e,rspacing:o,cspacing:n}=this._state,{row_heights:l,col_widths:r,size_hints:c}=this._measure_grid(t),f=this._state.rows.map(((t,i)=>Object.assign(Object.assign({},t),{top:0,height:l[i],get bottom(){return this.top+this.height}}))),_=this._state.cols.map(((t,i)=>Object.assign(Object.assign({},t),{left:0,width:r[i],get right(){return this.left+this.width}}))),d=c.map(((t,i)=>Object.assign(Object.assign({},i),{outer:new h.BBox,inner:new h.BBox})));for(let i=0,e=this.absolute?t.top:0;i{const{layout:r,size_hint:c}=l,{sizing:a}=r,{width:p,height:d}=c,u=function(t,i){let s=(i-t)*n;for(let e=t;e<=i;e++)s+=_[e].width;return s}(i,e),w=function(t,i){let s=(i-t)*o;for(let e=t;e<=i;e++)s+=f[e].height;return s}(t,s),m=i==e&&"auto"!=_[i].align?_[i].align:a.halign,y=t==s&&"auto"!=f[t].align?f[t].align:a.valign;let x=_[i].left;"start"==m?x+=a.margin.left:"center"==m?x+=g((u-p)/2):"end"==m&&(x+=u-a.margin.right-p);let b=f[t].top;"start"==y?b+=a.margin.top:"center"==y?b+=g((w-d)/2):"end"==y&&(b+=w-a.margin.bottom-d),l.outer=new h.BBox({left:x,top:b,width:p,height:d})}));const u=f.map((()=>({start:new p((()=>0)),end:new p((()=>0))}))),w=_.map((()=>({start:new p((()=>0)),end:new p((()=>0))})));d.foreach((({r0:t,c0:i,r1:s,c1:e},{size_hint:o,outer:n})=>{const{inner:l}=o;null!=l&&(u[t].start.apply(n.top,(t=>a(t,l.top))),u[s].end.apply(f[s].bottom-n.bottom,(t=>a(t,l.bottom))),w[i].start.apply(n.left,(t=>a(t,l.left))),w[e].end.apply(_[e].right-n.right,(t=>a(t,l.right))))})),d.foreach((({r0:t,c0:i,r1:s,c1:e},o)=>{const{size_hint:n,outer:l}=o,r=t=>{const i=this.absolute?l:l.relative(),s=i.left+t.left,e=i.top+t.top,o=i.right-t.right,n=i.bottom-t.bottom;return new h.BBox({left:s,top:e,right:o,bottom:n})};if(null!=n.inner){let h=r(n.inner);if(!1!==n.align){const o=u[t].start.get(l.top),n=u[s].end.get(f[s].bottom-l.bottom),c=w[i].start.get(l.left),a=w[e].end.get(_[e].right-l.right);try{h=r({top:o,bottom:n,left:c,right:a})}catch(t){}}o.inner=h}else o.inner=l})),d.foreach(((t,{layout:i,outer:s,inner:e})=>{i.set_geometry(s,e)}))}}s.Grid=_,_.__name__="Grid";class d extends _{constructor(t){super(),this.items=t.map(((t,i)=>({layout:t,row:0,col:i}))),this.rows="fit"}}s.Row=d,d.__name__="Row";class u extends _{constructor(t){super(),this.items=t.map(((t,i)=>({layout:t,row:i,col:0}))),this.cols="fit"}}s.Column=u,u.__name__="Column"}, +function _(e,t,s,n,i){n();const a=e(125),c=e(124),o=e(43);class r extends a.ContentLayoutable{constructor(e){super(),this.content_size=(0,o.unsized)(e,(()=>new c.Sizeable((0,o.size)(e))))}_content_size(){return this.content_size}}s.ContentBox=r,r.__name__="ContentBox";class _ extends a.Layoutable{constructor(e){super(),this.el=e}_measure(e){const t=new c.Sizeable(e).bounded_to(this.sizing.size);return(0,o.sized)(this.el,t,(()=>{const e=new c.Sizeable((0,o.content_size)(this.el)),{border:t,padding:s}=(0,o.extents)(this.el);return e.grow_by(t).grow_by(s).map(Math.ceil)}))}}s.VariadicBox=_,_.__name__="VariadicBox";class h extends _{constructor(e){super(e),this._cache=new Map}_measure(e){const{width:t,height:s}=e,n=`${t},${s}`;let i=this._cache.get(n);return null==i&&(i=super._measure(e),this._cache.set(n,i)),i}invalidate_cache(){this._cache.clear()}}s.CachedVariadicBox=h,h.__name__="CachedVariadicBox"}, +function _(t,e,i,h,o){h();const s=t(124),r=t(125),n=t(65);class g extends r.Layoutable{constructor(){super(...arguments),this.min_border={left:0,top:0,right:0,bottom:0},this.padding={left:0,top:0,right:0,bottom:0}}*[Symbol.iterator](){yield this.top_panel,yield this.bottom_panel,yield this.left_panel,yield this.right_panel,yield this.center_panel}_measure(t){t=new s.Sizeable({width:"fixed"==this.sizing.width_policy||t.width==1/0?this.sizing.width:t.width,height:"fixed"==this.sizing.height_policy||t.height==1/0?this.sizing.height:t.height});const e=this.left_panel.measure({width:0,height:t.height}),i=Math.max(e.width,this.min_border.left)+this.padding.left,h=this.right_panel.measure({width:0,height:t.height}),o=Math.max(h.width,this.min_border.right)+this.padding.right,r=this.top_panel.measure({width:t.width,height:0}),n=Math.max(r.height,this.min_border.top)+this.padding.top,g=this.bottom_panel.measure({width:t.width,height:0}),a=Math.max(g.height,this.min_border.bottom)+this.padding.bottom,d=new s.Sizeable(t).shrink_by({left:i,right:o,top:n,bottom:a}),l=this.center_panel.measure(d);return{width:i+l.width+o,height:n+l.height+a,inner:{left:i,right:o,top:n,bottom:a},align:(()=>{const{width_policy:t,height_policy:e}=this.center_panel.sizing;return"fixed"!=t&&"fixed"!=e})()}}_set_geometry(t,e){super._set_geometry(t,e),this.center_panel.set_geometry(e);const i=this.left_panel.measure({width:0,height:t.height}),h=this.right_panel.measure({width:0,height:t.height}),o=this.top_panel.measure({width:t.width,height:0}),s=this.bottom_panel.measure({width:t.width,height:0}),{left:r,top:g,right:a,bottom:d}=e;this.top_panel.set_geometry(new n.BBox({left:r,right:a,bottom:g,height:o.height})),this.bottom_panel.set_geometry(new n.BBox({left:r,right:a,top:d,height:s.height})),this.left_panel.set_geometry(new n.BBox({top:g,bottom:d,right:r,width:i.width})),this.right_panel.set_geometry(new n.BBox({top:g,bottom:d,left:a,width:h.width}))}}i.BorderLayout=g,g.__name__="BorderLayout"}, +function _(t,e,i,s,l){s();const n=t(1);var o;const a=t(119),_=t(10),d=t(20),h=t(120),r=t(123),u=(0,n.__importStar)(t(48));class c extends a.TextAnnotationView{update_layout(){const{panel:t}=this;this.layout=null!=t?new r.SideLayout(t,(()=>this.get_size()),!1):void 0}_get_size(){const{text:t}=this.model,e=new h.TextBox({text:t}),{angle:i,angle_units:s}=this.model;e.angle=(0,_.resolve_angle)(i,s),e.visuals=this.visuals.text.values();const{width:l,height:n}=e.size();return{width:l,height:n}}_render(){const{angle:t,angle_units:e}=this.model,i=(0,_.resolve_angle)(t,e),s=null!=this.layout?this.layout:this.plot_view.frame,l=this.coordinates.x_scale,n=this.coordinates.y_scale;let o="data"==this.model.x_units?l.compute(this.model.x):s.bbox.xview.compute(this.model.x),a="data"==this.model.y_units?n.compute(this.model.y):s.bbox.yview.compute(this.model.y);o+=this.model.x_offset,a-=this.model.y_offset;("canvas"==this.model.render_mode?this._canvas_text.bind(this):this._css_text.bind(this))(this.layer.ctx,this.model.text,o,a,i)}}i.LabelView=c,c.__name__="LabelView";class x extends a.TextAnnotation{constructor(t){super(t)}}i.Label=x,o=x,x.__name__="Label",o.prototype.default_view=c,o.mixins([u.Text,["border_",u.Line],["background_",u.Fill]]),o.define((({Number:t,String:e,Angle:i})=>({x:[t],x_units:[d.SpatialUnits,"data"],y:[t],y_units:[d.SpatialUnits,"data"],text:[e,""],angle:[i,0],angle_units:[d.AngleUnits,"rad"],x_offset:[t,0],y_offset:[t,0]}))),o.override({background_fill_color:null,border_line_color:null})}, +function _(t,e,s,i,l){i();const o=t(1);var a;const r=t(69),n=(0,o.__importStar)(t(48)),d=t(20),_=t(43),c=t(120),h=(0,o.__importStar)(t(18)),u=t(11);class v extends r.DataAnnotationView{set_data(t){var e;if(super.set_data(t),null===(e=this.els)||void 0===e||e.forEach((t=>(0,_.remove)(t))),"css"==this.model.render_mode){const t=this.els=[...this.text].map((()=>(0,_.div)({style:{display:"none"}})));for(const e of t)this.plot_view.canvas_view.add_overlay(e)}else delete this.els}remove(){var t;null===(t=this.els)||void 0===t||t.forEach((t=>(0,_.remove)(t))),super.remove()}_rerender(){"css"==this.model.render_mode?this.render():this.request_render()}map_data(){const{x_scale:t,y_scale:e}=this.coordinates,s=null!=this.layout?this.layout:this.plot_view.frame;this.sx="data"==this.model.x_units?t.v_compute(this._x):s.bbox.xview.v_compute(this._x),this.sy="data"==this.model.y_units?e.v_compute(this._y):s.bbox.yview.v_compute(this._y)}paint(){const t="canvas"==this.model.render_mode?this._v_canvas_text.bind(this):this._v_css_text.bind(this),{ctx:e}=this.layer;for(let s=0,i=this.text.length;s{switch(this.visuals.text.text_align.get(e)){case"left":return["left","0%"];case"center":return["center","-50%"];case"right":return["right","-100%"]}})(),[d,c]=(()=>{switch(this.visuals.text.text_baseline.get(e)){case"top":return["top","0%"];case"middle":return["center","-50%"];case"bottom":return["bottom","-100%"];default:return["center","-50%"]}})();let h=`translate(${n}, ${c})`;o&&(h+=`rotate(${o}rad)`),a.style.transformOrigin=`${r} ${d}`,a.style.transform=h,this.layout,this.visuals.background_fill.doit&&(this.visuals.background_fill.set_vectorize(t,e),a.style.backgroundColor=t.fillStyle),this.visuals.border_line.doit&&(this.visuals.border_line.set_vectorize(t,e),a.style.borderStyle=t.lineDash.length<2?"solid":"dashed",a.style.borderWidth=`${t.lineWidth}px`,a.style.borderColor=t.strokeStyle),(0,_.display)(a)}}s.LabelSetView=v,v.__name__="LabelSetView";class x extends r.DataAnnotation{constructor(t){super(t)}}s.LabelSet=x,a=x,x.__name__="LabelSet",a.prototype.default_view=v,a.mixins([n.TextVector,["border_",n.LineVector],["background_",n.FillVector]]),a.define((()=>({x:[h.XCoordinateSpec,{field:"x"}],y:[h.YCoordinateSpec,{field:"y"}],x_units:[d.SpatialUnits,"data"],y_units:[d.SpatialUnits,"data"],text:[h.StringSpec,{field:"text"}],angle:[h.AngleSpec,0],x_offset:[h.NumberSpec,{value:0}],y_offset:[h.NumberSpec,{value:0}],render_mode:[d.RenderMode,"canvas"]}))),a.override({background_fill_color:null,border_line_color:null})}, +function _(t,e,i,l,s){l();const n=t(1);var o;const h=t(40),a=t(215),_=t(20),r=(0,n.__importStar)(t(48)),d=t(15),c=t(123),g=t(121),m=t(65),b=t(9),f=t(8),u=t(11);class x extends h.AnnotationView{update_layout(){const{panel:t}=this;this.layout=null!=t?new c.SideLayout(t,(()=>this.get_size())):void 0}cursor(t,e){return"none"==this.model.click_policy?null:"pointer"}get legend_padding(){return null!=this.model.border_line_color?this.model.padding:0}connect_signals(){super.connect_signals(),this.connect(this.model.change,(()=>this.request_render())),this.connect(this.model.item_change,(()=>this.request_render()))}compute_legend_bbox(){const t=this.model.get_legend_names(),{glyph_height:e,glyph_width:i}=this.model,{label_height:l,label_width:s}=this.model;this.max_label_height=(0,b.max)([(0,g.font_metrics)(this.visuals.label_text.font_value()).height,l,e]);const{ctx:n}=this.layer;n.save(),this.visuals.label_text.set_value(n),this.text_widths=new Map;for(const e of t)this.text_widths.set(e,(0,b.max)([n.measureText(e).width,s]));this.visuals.title_text.set_value(n),this.title_height=this.model.title?(0,g.font_metrics)(this.visuals.title_text.font_value()).height+this.model.title_standoff:0,this.title_width=this.model.title?n.measureText(this.model.title).width:0,n.restore();const o=Math.max((0,b.max)([...this.text_widths.values()]),0),h=this.model.margin,{legend_padding:a}=this,_=this.model.spacing,{label_standoff:r}=this.model;let d,c;if("vertical"==this.model.orientation)d=t.length*this.max_label_height+Math.max(t.length-1,0)*_+2*a+this.title_height,c=(0,b.max)([o+i+r+2*a,this.title_width+2*a]);else{let e=2*a+Math.max(t.length-1,0)*_;for(const[,t]of this.text_widths)e+=(0,b.max)([t,s])+i+r;c=(0,b.max)([this.title_width+2*a,e]),d=this.max_label_height+this.title_height+2*a}const x=null!=this.layout?this.layout:this.plot_view.frame,[p,w]=x.bbox.ranges,{location:v}=this.model;let y,k;if((0,f.isString)(v))switch(v){case"top_left":y=p.start+h,k=w.start+h;break;case"top":case"top_center":y=(p.end+p.start)/2-c/2,k=w.start+h;break;case"top_right":y=p.end-h-c,k=w.start+h;break;case"bottom_right":y=p.end-h-c,k=w.end-h-d;break;case"bottom":case"bottom_center":y=(p.end+p.start)/2-c/2,k=w.end-h-d;break;case"bottom_left":y=p.start+h,k=w.end-h-d;break;case"left":case"center_left":y=p.start+h,k=(w.end+w.start)/2-d/2;break;case"center":case"center_center":y=(p.end+p.start)/2-c/2,k=(w.end+w.start)/2-d/2;break;case"right":case"center_right":y=p.end-h-c,k=(w.end+w.start)/2-d/2}else if((0,f.isArray)(v)&&2==v.length){const[t,e]=v;y=x.bbox.xview.compute(t),k=x.bbox.yview.compute(e)-d}else(0,u.unreachable)();return new m.BBox({left:y,top:k,width:c,height:d})}interactive_bbox(){return this.compute_legend_bbox()}interactive_hit(t,e){return this.interactive_bbox().contains(t,e)}on_hit(t,e){let i;const{glyph_width:l}=this.model,{legend_padding:s}=this,n=this.model.spacing,{label_standoff:o}=this.model;let h=i=s;const a=this.compute_legend_bbox(),_="vertical"==this.model.orientation;for(const r of this.model.items){const d=r.get_labels_list_from_label_prop();for(const c of d){const d=a.x+h,g=a.y+i+this.title_height;let b,f;[b,f]=_?[a.width-2*s,this.max_label_height]:[this.text_widths.get(c)+l+o,this.max_label_height];if(new m.BBox({left:d,top:g,width:b,height:f}).contains(t,e)){switch(this.model.click_policy){case"hide":for(const t of r.renderers)t.visible=!t.visible;break;case"mute":for(const t of r.renderers)t.muted=!t.muted}return!0}_?i+=this.max_label_height+n:h+=this.text_widths.get(c)+l+o+n}}return!1}_render(){if(0==this.model.items.length)return;if(!(0,b.some)(this.model.items,(t=>t.visible)))return;for(const t of this.model.items)t.legend=this.model;const{ctx:t}=this.layer,e=this.compute_legend_bbox();t.save(),this._draw_legend_box(t,e),this._draw_legend_items(t,e),this._draw_title(t,e),t.restore()}_draw_legend_box(t,e){t.beginPath(),t.rect(e.x,e.y,e.width,e.height),this.visuals.background_fill.apply(t),this.visuals.border_line.apply(t)}_draw_legend_items(t,e){const{glyph_width:i,glyph_height:l}=this.model,{legend_padding:s}=this,n=this.model.spacing,{label_standoff:o}=this.model;let h=s,a=s;const _="vertical"==this.model.orientation;for(const r of this.model.items){if(!r.visible)continue;const d=r.get_labels_list_from_label_prop(),c=r.get_field_from_label_prop();if(0==d.length)continue;const g=(()=>{switch(this.model.click_policy){case"none":return!0;case"hide":return(0,b.every)(r.renderers,(t=>t.visible));case"mute":return(0,b.every)(r.renderers,(t=>!t.muted))}})();for(const m of d){const d=e.x+h,b=e.y+a+this.title_height,f=d+i,u=b+l;_?a+=this.max_label_height+n:h+=this.text_widths.get(m)+i+o+n,this.visuals.label_text.set_value(t),t.fillText(m,f+o,b+this.max_label_height/2);for(const e of r.renderers){const i=this.plot_view.renderer_view(e);null==i||i.draw_legend(t,d,f,b,u,c,m,r.index)}if(!g){let l,n;[l,n]=_?[e.width-2*s,this.max_label_height]:[this.text_widths.get(m)+i+o,this.max_label_height],t.beginPath(),t.rect(d,b,l,n),this.visuals.inactive_fill.set_value(t),t.fill()}}}}_draw_title(t,e){const{title:i}=this.model;i&&this.visuals.title_text.doit&&(t.save(),t.translate(e.x0,e.y0+this.title_height),this.visuals.title_text.set_value(t),t.fillText(i,this.legend_padding,this.legend_padding-this.model.title_standoff),t.restore())}_get_size(){const{width:t,height:e}=this.compute_legend_bbox();return{width:t+2*this.model.margin,height:e+2*this.model.margin}}}i.LegendView=x,x.__name__="LegendView";class p extends h.Annotation{constructor(t){super(t)}initialize(){super.initialize(),this.item_change=new d.Signal0(this,"item_change")}get_legend_names(){const t=[];for(const e of this.items){const i=e.get_labels_list_from_label_prop();t.push(...i)}return t}}i.Legend=p,o=p,p.__name__="Legend",o.prototype.default_view=x,o.mixins([["label_",r.Text],["title_",r.Text],["inactive_",r.Fill],["border_",r.Line],["background_",r.Fill]]),o.define((({Number:t,String:e,Array:i,Tuple:l,Or:s,Ref:n,Nullable:o})=>({orientation:[_.Orientation,"vertical"],location:[s(_.LegendLocation,l(t,t)),"top_right"],title:[o(e),null],title_standoff:[t,5],label_standoff:[t,5],glyph_height:[t,20],glyph_width:[t,20],label_height:[t,20],label_width:[t,20],margin:[t,10],padding:[t,10],spacing:[t,3],items:[i(n(a.LegendItem)),[]],click_policy:[_.LegendClickPolicy,"none"]}))),o.override({border_line_color:"#e5e5e5",border_line_alpha:.5,border_line_width:1,background_fill_color:"#ffffff",background_fill_alpha:.95,inactive_fill_color:"white",inactive_fill_alpha:.7,label_text_font_size:"13px",label_text_baseline:"middle",title_text_font_size:"13px",title_text_font_style:"italic"})}, +function _(e,r,l,n,t){n();const i=e(1);var s;const o=e(53),a=e(175),_=e(70),u=e(216),d=(0,i.__importStar)(e(18)),c=e(19),f=e(9);class h extends o.Model{constructor(e){super(e)}_check_data_sources_on_renderers(){if(null!=this.get_field_from_label_prop()){if(this.renderers.length<1)return!1;const e=this.renderers[0].data_source;if(null!=e)for(const r of this.renderers)if(r.data_source!=e)return!1}return!0}_check_field_label_on_data_source(){const e=this.get_field_from_label_prop();if(null!=e){if(this.renderers.length<1)return!1;const r=this.renderers[0].data_source;if(null!=r&&!(0,f.includes)(r.columns(),e))return!1}return!0}initialize(){super.initialize(),this.legend=null,this.connect(this.change,(()=>{var e;return null===(e=this.legend)||void 0===e?void 0:e.item_change.emit()}));this._check_data_sources_on_renderers()||c.logger.error("Non matching data sources on legend item renderers");this._check_field_label_on_data_source()||c.logger.error(`Bad column name on label: ${this.label}`)}get_field_from_label_prop(){const{label:e}=this;return(0,u.isField)(e)?e.field:null}get_labels_list_from_label_prop(){if(!this.visible)return[];if((0,u.isValue)(this.label)){const{value:e}=this.label;return null!=e?[e]:[]}const e=this.get_field_from_label_prop();if(null!=e){let r;if(!this.renderers[0]||null==this.renderers[0].data_source)return["No source found"];if(r=this.renderers[0].data_source,r instanceof _.ColumnarDataSource){const l=r.get_column(e);return null!=l?(0,f.uniq)(Array.from(l)):["Invalid field"]}}return[]}}l.LegendItem=h,s=h,h.__name__="LegendItem",s.define((({Boolean:e,Int:r,Array:l,Ref:n,Nullable:t})=>({label:[d.NullStringSpec,null],renderers:[l(n(a.GlyphRenderer)),[]],index:[t(r),null],visible:[e,!0]})))}, +function _(i,n,e,t,u){t();const c=i(8);e.isValue=function(i){return(0,c.isPlainObject)(i)&&"value"in i},e.isField=function(i){return(0,c.isPlainObject)(i)&&"field"in i},e.isExpr=function(i){return(0,c.isPlainObject)(i)&&"expr"in i}}, +function _(t,n,e,s,i){s();const o=t(1);var a;const l=t(40),c=(0,o.__importStar)(t(48)),r=t(20);class _ extends l.AnnotationView{connect_signals(){super.connect_signals(),this.connect(this.model.change,(()=>this.request_render()))}_render(){const{xs:t,ys:n}=this.model;if(t.length!=n.length)return;const e=t.length;if(e<3)return;const{frame:s}=this.plot_view,{ctx:i}=this.layer,o=this.coordinates.x_scale,a=this.coordinates.y_scale,{screen:l}=this.model;function c(t,n,e,s){return l?t:"data"==n?e.v_compute(t):s.v_compute(t)}const r=c(t,this.model.xs_units,o,s.bbox.xview),_=c(n,this.model.ys_units,a,s.bbox.yview);i.beginPath();for(let t=0;t({xs:[n(t),[]],xs_units:[r.SpatialUnits,"data"],ys:[n(t),[]],ys_units:[r.SpatialUnits,"data"]}))),a.internal((({Boolean:t})=>({screen:[t,!1]}))),a.override({fill_color:"#fff9ba",fill_alpha:.4,line_color:"#cccccc",line_alpha:.3})}, +function _(e,t,n,o,i){o();const s=e(1);var l;const r=e(40),c=(0,s.__importStar)(e(48));class a extends r.AnnotationView{connect_signals(){super.connect_signals(),this.connect(this.model.change,(()=>this.request_render()))}_render(){const{gradient:e,y_intercept:t}=this.model;if(null==e||null==t)return;const{frame:n}=this.plot_view,o=this.coordinates.x_scale,i=this.coordinates.y_scale;let s,l,r,c;if(0==e)s=i.compute(t),l=s,r=n.bbox.left,c=r+n.bbox.width;else{s=n.bbox.top,l=s+n.bbox.height;const a=(i.invert(s)-t)/e,_=(i.invert(l)-t)/e;r=o.compute(a),c=o.compute(_)}const{ctx:a}=this.layer;a.save(),a.beginPath(),this.visuals.line.set_value(a),a.moveTo(r,s),a.lineTo(c,l),a.stroke(),a.restore()}}n.SlopeView=a,a.__name__="SlopeView";class _ extends r.Annotation{constructor(e){super(e)}}n.Slope=_,l=_,_.__name__="Slope",l.prototype.default_view=a,l.mixins(c.Line),l.define((({Number:e,Nullable:t})=>({gradient:[t(e),null],y_intercept:[t(e),null]}))),l.override({line_color:"black"})}, +function _(e,t,i,o,n){o();const s=e(1);var l;const a=e(40),r=(0,s.__importStar)(e(48)),c=e(20);class d extends a.AnnotationView{connect_signals(){super.connect_signals(),this.connect(this.model.change,(()=>this.plot_view.request_paint(this)))}_render(){const{location:e}=this.model;if(null==e)return;const{frame:t}=this.plot_view,i=this.coordinates.x_scale,o=this.coordinates.y_scale,n=(t,i)=>"data"==this.model.location_units?t.compute(e):this.model.for_hover?e:i.compute(e);let s,l,a,r;"width"==this.model.dimension?(a=n(o,t.bbox.yview),l=t.bbox.left,r=t.bbox.width,s=this.model.line_width):(a=t.bbox.top,l=n(i,t.bbox.xview),r=this.model.line_width,s=t.bbox.height);const{ctx:c}=this.layer;c.save(),c.beginPath(),this.visuals.line.set_value(c),c.moveTo(l,a),"width"==this.model.dimension?c.lineTo(l+r,a):c.lineTo(l,a+s),c.stroke(),c.restore()}}i.SpanView=d,d.__name__="SpanView";class _ extends a.Annotation{constructor(e){super(e)}}i.Span=_,l=_,_.__name__="Span",l.prototype.default_view=d,l.mixins(r.Line),l.define((({Number:e,Nullable:t})=>({render_mode:[c.RenderMode,"canvas"],location:[t(e),null],location_units:[c.SpatialUnits,"data"],dimension:[c.Dimension,"width"]}))),l.internal((({Boolean:e})=>({for_hover:[e,!1]}))),l.override({line_color:"black"})}, +function _(i,e,t,o,l){var s;o();const a=i(40),_=i(221),n=i(113),r=i(43),h=i(123),b=i(65);class v extends a.AnnotationView{constructor(){super(...arguments),this._invalidate_toolbar=!0,this._previous_bbox=new b.BBox}update_layout(){this.layout=new h.SideLayout(this.panel,(()=>this.get_size()),!0)}initialize(){super.initialize(),this.el=(0,r.div)(),this.plot_view.canvas_view.add_event(this.el)}async lazy_initialize(){await super.lazy_initialize(),this._toolbar_view=await(0,n.build_view)(this.model.toolbar,{parent:this}),this.plot_view.visibility_callbacks.push((i=>this._toolbar_view.set_visibility(i)))}remove(){this._toolbar_view.remove(),(0,r.remove)(this.el),super.remove()}render(){this.model.visible||(0,r.undisplay)(this.el),super.render()}_render(){const{bbox:i}=this.layout;this._previous_bbox.equals(i)||((0,r.position)(this.el,i),this._previous_bbox=i,this._invalidate_toolbar=!0),this._invalidate_toolbar&&(this.el.style.position="absolute",this.el.style.overflow="hidden",(0,r.empty)(this.el),this.el.appendChild(this._toolbar_view.el),this._toolbar_view.layout.bbox=i,this._toolbar_view.render(),this._invalidate_toolbar=!1),(0,r.display)(this.el)}_get_size(){const{tools:i,logo:e}=this.model.toolbar;return{width:30*i.length+(null!=e?25:0)+15,height:30}}}t.ToolbarPanelView=v,v.__name__="ToolbarPanelView";class d extends a.Annotation{constructor(i){super(i)}}t.ToolbarPanel=d,s=d,d.__name__="ToolbarPanel",s.prototype.default_view=v,s.define((({Ref:i})=>({toolbar:[i(_.Toolbar)]})))}, +function _(t,e,s,i,o){var c;i();const n=t(8),a=t(9),l=t(13),r=t(222),_=t(223),u=t(232),p=t(233);function v(t){switch(t){case"tap":return"active_tap";case"pan":return"active_drag";case"pinch":case"scroll":return"active_scroll";case"multi":return"active_multi"}return null}function h(t){return"tap"==t||"pan"==t}s.Drag=r.Tool,s.Inspection=r.Tool,s.Scroll=r.Tool,s.Tap=r.Tool;class f extends p.ToolbarBase{constructor(t){super(t)}connect_signals(){super.connect_signals();const{tools:t,active_drag:e,active_inspect:s,active_scroll:i,active_tap:o,active_multi:c}=this.properties;this.on_change([t,e,s,i,o,c],(()=>this._init_tools()))}_init_tools(){if(super._init_tools(),"auto"==this.active_inspect);else if(this.active_inspect instanceof u.InspectTool){let t=!1;for(const e of this.inspectors)e!=this.active_inspect?e.active=!1:t=!0;t||(this.active_inspect=null)}else if((0,n.isArray)(this.active_inspect)){const t=(0,a.intersection)(this.active_inspect,this.inspectors);t.length!=this.active_inspect.length&&(this.active_inspect=t);for(const t of this.inspectors)(0,a.includes)(this.active_inspect,t)||(t.active=!1)}else if(null==this.active_inspect)for(const t of this.inspectors)t.active=!1;const t=t=>{t.active?this._active_change(t):t.active=!0};for(const t of(0,l.values)(this.gestures)){t.tools=(0,a.sort_by)(t.tools,(t=>t.default_order));for(const e of t.tools)this.connect(e.properties.active.change,(()=>this._active_change(e)))}for(const[e,s]of(0,l.entries)(this.gestures)){const i=v(e);if(i){const o=this[i];"auto"==o?0!=s.tools.length&&h(e)&&t(s.tools[0]):null!=o&&((0,a.includes)(this.tools,o)?t(o):this[i]=null)}}}}s.Toolbar=f,c=f,f.__name__="Toolbar",c.prototype.default_view=p.ToolbarBaseView,c.define((({Or:t,Ref:e,Auto:i,Null:o})=>({active_drag:[t(e(s.Drag),i,o),"auto"],active_inspect:[t(e(s.Inspection),i,o),"auto"],active_scroll:[t(e(s.Scroll),i,o),"auto"],active_tap:[t(e(s.Tap),i,o),"auto"],active_multi:[t(e(_.GestureTool),i,o),"auto"]})))}, +function _(t,e,n,o,s){var i;o();const a=t(42),r=t(9),l=t(53);class c extends a.View{get plot_view(){return this.parent}get plot_model(){return this.parent.model}connect_signals(){super.connect_signals(),this.connect(this.model.properties.active.change,(()=>{this.model.active?this.activate():this.deactivate()}))}activate(){}deactivate(){}}n.ToolView=c,c.__name__="ToolView";class _ extends l.Model{constructor(t){super(t)}get synthetic_renderers(){return[]}_get_dim_limits([t,e],[n,o],s,i){const a=s.bbox.h_range;let l;"width"==i||"both"==i?(l=[(0,r.min)([t,n]),(0,r.max)([t,n])],l=[(0,r.max)([l[0],a.start]),(0,r.min)([l[1],a.end])]):l=[a.start,a.end];const c=s.bbox.v_range;let _;return"height"==i||"both"==i?(_=[(0,r.min)([e,o]),(0,r.max)([e,o])],_=[(0,r.max)([_[0],c.start]),(0,r.min)([_[1],c.end])]):_=[c.start,c.end],[l,_]}static register_alias(t,e){this.prototype._known_aliases.set(t,e)}static from_string(t){const e=this.prototype._known_aliases.get(t);if(null!=e)return e();{const e=[...this.prototype._known_aliases.keys()];throw new Error(`unexpected tool name '${t}', possible tools are ${e.join(", ")}`)}}}n.Tool=_,i=_,_.__name__="Tool",i.prototype._known_aliases=new Map,i.define((({String:t,Nullable:e})=>({description:[e(t),null]}))),i.internal((({Boolean:t})=>({active:[t,!1]})))}, +function _(e,o,t,s,n){s();const u=e(224),_=e(231);class l extends u.ButtonToolView{}t.GestureToolView=l,l.__name__="GestureToolView";class i extends u.ButtonTool{constructor(e){super(e),this.button_view=_.OnOffButtonView}}t.GestureTool=i,i.__name__="GestureTool"}, +function _(t,e,o,s,i){s();const n=t(1);var l;const r=(0,n.__importDefault)(t(225)),a=t(226),u=t(222),h=t(43),_=t(34),d=t(8),c=t(9),m=(0,n.__importStar)(t(227)),p=m,v=(0,n.__importDefault)(t(228)),f=(0,n.__importDefault)(t(229)),g=t(230);class b extends a.DOMView{initialize(){super.initialize();const t=this.model.menu;if(null!=t){const e=this.parent.model.toolbar_location,o="left"==e||"above"==e,s=this.parent.model.horizontal?"vertical":"horizontal";this._menu=new g.ContextMenu(o?(0,c.reversed)(t):t,{orientation:s,prevent_hide:t=>t.target==this.el})}this._hammer=new r.default(this.el,{touchAction:"auto",inputClass:r.default.TouchMouseInput}),this.connect(this.model.change,(()=>this.render())),this._hammer.on("tap",(t=>{var e;(null===(e=this._menu)||void 0===e?void 0:e.is_open)?this._menu.hide():t.target==this.el&&this._clicked()})),this._hammer.on("press",(()=>this._pressed())),this.el.addEventListener("keydown",(t=>{t.keyCode==h.Keys.Enter&&this._clicked()}))}remove(){var t;this._hammer.destroy(),null===(t=this._menu)||void 0===t||t.remove(),super.remove()}styles(){return[...super.styles(),m.default,v.default,f.default]}css_classes(){return super.css_classes().concat(p.toolbar_button)}render(){(0,h.empty)(this.el);const t=this.model.computed_icon;(0,d.isString)(t)&&((0,_.startsWith)(t,"data:image")?this.el.style.backgroundImage=`url("${t}")`:this.el.classList.add(t)),this.el.title=this.model.tooltip,this.el.tabIndex=0,null!=this._menu&&this.root.el.appendChild(this._menu.el)}_pressed(){var t;const e=(()=>{switch(this.parent.model.toolbar_location){case"right":return{left_of:this.el};case"left":return{right_of:this.el};case"above":return{below:this.el};case"below":return{above:this.el}}})();null===(t=this._menu)||void 0===t||t.toggle(e)}}o.ButtonToolButtonView=b,b.__name__="ButtonToolButtonView";class w extends u.ToolView{}o.ButtonToolView=w,w.__name__="ButtonToolView";class y extends u.Tool{constructor(t){super(t)}_get_dim_tooltip(t){const{description:e,tool_name:o}=this;return null!=e?e:"both"==t?o:`${o} (${"width"==t?"x":"y"}-axis)`}get tooltip(){var t;return null!==(t=this.description)&&void 0!==t?t:this.tool_name}get computed_icon(){return this.icon}get menu(){return null}}o.ButtonTool=y,l=y,y.__name__="ButtonTool",l.internal((({Boolean:t})=>({disabled:[t,!1]})))}, +function _(t,e,i,n,r){ +/*! 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180*Math.atan2(r,n)/Math.PI}q.prototype={handler:function(){},init:function(){this.evEl&&I(this.element,this.evEl,this.domHandler),this.evTarget&&I(this.target,this.evTarget,this.domHandler),this.evWin&&I(O(this.element),this.evWin,this.domHandler)},destroy:function(){this.evEl&&A(this.element,this.evEl,this.domHandler),this.evTarget&&A(this.target,this.evTarget,this.domHandler),this.evWin&&A(O(this.element),this.evWin,this.domHandler)}};var Z={mousedown:1,mousemove:2,mouseup:4},B="mousedown",$="mousemove mouseup";function J(){this.evEl=B,this.evWin=$,this.pressed=!1,q.apply(this,arguments)}g(J,q,{handler:function(t){var e=Z[t.type];1&e&&0===t.button&&(this.pressed=!0),2&e&&1!==t.which&&(e=4),this.pressed&&(4&e&&(this.pressed=!1),this.callback(this.manager,e,{pointers:[t],changedPointers:[t],pointerType:X,srcEvent:t}))}});var K={pointerdown:1,pointermove:2,pointerup:4,pointercancel:8,pointerout:8},Q={2:N,3:"pen",4:X,5:"kinect"},tt="pointerdown",et="pointermove pointerup pointercancel";function it(){this.evEl=tt,this.evWin=et,q.apply(this,arguments),this.store=this.manager.session.pointerEvents=[]}t.MSPointerEvent&&!t.PointerEvent&&(tt="MSPointerDown",et="MSPointerMove MSPointerUp MSPointerCancel"),g(it,q,{handler:function(t){var e=this.store,i=!1,n=t.type.toLowerCase().replace("ms",""),r=K[n],s=Q[t.pointerType]||t.pointerType,o=s==N,a=b(e,t.pointerId,"pointerId");1&r&&(0===t.button||o)?a<0&&(e.push(t),a=e.length-1):12&r&&(i=!0),a<0||(e[a]=t,this.callback(this.manager,r,{pointers:e,changedPointers:[t],pointerType:s,srcEvent:t}),i&&e.splice(a,1))}});var nt={touchstart:1,touchmove:2,touchend:4,touchcancel:8},rt="touchstart",st="touchstart touchmove touchend touchcancel";function ot(){this.evTarget=rt,this.evWin=st,this.started=!1,q.apply(this,arguments)}function at(t,e){var i=P(t.touches),n=P(t.changedTouches);return 12&e&&(i=D(i.concat(n),"identifier",!0)),[i,n]}g(ot,q,{handler:function(t){var e=nt[t.type];if(1===e&&(this.started=!0),this.started){var i=at.call(this,t,e);12&e&&i[0].length-i[1].length==0&&(this.started=!1),this.callback(this.manager,e,{pointers:i[0],changedPointers:i[1],pointerType:N,srcEvent:t})}}});var ht={touchstart:1,touchmove:2,touchend:4,touchcancel:8},ut="touchstart touchmove touchend touchcancel";function ct(){this.evTarget=ut,this.targetIds={},q.apply(this,arguments)}function lt(t,e){var i=P(t.touches),n=this.targetIds;if(3&e&&1===i.length)return n[i[0].identifier]=!0,[i,i];var r,s,o=P(t.changedTouches),a=[],h=this.target;if(s=i.filter((function(t){return _(t.target,h)})),1===e)for(r=0;r-1&&n.splice(t,1)}),2500)}}function dt(t){for(var e=t.srcEvent.clientX,i=t.srcEvent.clientY,n=0;n-1&&this.requireFail.splice(e,1),this},hasRequireFailures:function(){return this.requireFail.length>0},canRecognizeWith:function(t){return!!this.simultaneous[t.id]},emit:function(t){var e=this,i=this.state;function n(i){e.manager.emit(i,t)}i<8&&n(e.options.event+Dt(i)),n(e.options.event),t.additionalEvent&&n(t.additionalEvent),i>=8&&n(e.options.event+Dt(i))},tryEmit:function(t){if(this.canEmit())return this.emit(t);this.state=bt},canEmit:function(){for(var t=0;te.threshold&&r&e.direction},attrTest:function(t){return Ot.prototype.attrTest.call(this,t)&&(2&this.state||!(2&this.state)&&this.directionTest(t))},emit:function(t){this.pX=t.deltaX,this.pY=t.deltaY;var e=xt(t.direction);e&&(t.additionalEvent=this.options.event+e),this._super.emit.call(this,t)}}),g(Mt,Ot,{defaults:{event:"pinch",threshold:0,pointers:2},getTouchAction:function(){return[It]},attrTest:function(t){return this._super.attrTest.call(this,t)&&(Math.abs(t.scale-1)>this.options.threshold||2&this.state)},emit:function(t){if(1!==t.scale){var e=t.scale<1?"in":"out";t.additionalEvent=this.options.event+e}this._super.emit.call(this,t)}}),g(zt,Pt,{defaults:{event:"press",pointers:1,time:251,threshold:9},getTouchAction:function(){return[yt]},process:function(t){var e=this.options,i=t.pointers.length===e.pointers,n=t.distancee.time;if(this._input=t,!n||!i||12&t.eventType&&!r)this.reset();else if(1&t.eventType)this.reset(),this._timer=l((function(){this.state=8,this.tryEmit()}),e.time,this);else if(4&t.eventType)return 8;return bt},reset:function(){clearTimeout(this._timer)},emit:function(t){8===this.state&&(t&&4&t.eventType?this.manager.emit(this.options.event+"up",t):(this._input.timeStamp=c(),this.manager.emit(this.options.event,this._input)))}}),g(Nt,Ot,{defaults:{event:"rotate",threshold:0,pointers:2},getTouchAction:function(){return[It]},attrTest:function(t){return this._super.attrTest.call(this,t)&&(Math.abs(t.rotation)>this.options.threshold||2&this.state)}}),g(Xt,Ot,{defaults:{event:"swipe",threshold:10,velocity:.3,direction:30,pointers:1},getTouchAction:function(){return Rt.prototype.getTouchAction.call(this)},attrTest:function(t){var e,i=this.options.direction;return 30&i?e=t.overallVelocity:6&i?e=t.overallVelocityX:i&Y&&(e=t.overallVelocityY),this._super.attrTest.call(this,t)&&i&t.offsetDirection&&t.distance>this.options.threshold&&t.maxPointers==this.options.pointers&&u(e)>this.options.velocity&&4&t.eventType},emit:function(t){var e=xt(t.offsetDirection);e&&this.manager.emit(this.options.event+e,t),this.manager.emit(this.options.event,t)}}),g(Yt,Pt,{defaults:{event:"tap",pointers:1,taps:1,interval:300,time:250,threshold:9,posThreshold:10},getTouchAction:function(){return[Et]},process:function(t){var e=this.options,i=t.pointers.length===e.pointers,n=t.distance{var e;null===(e=t.handler)||void 0===e||e.call(t),this.hide()},this._on_mousedown=t=>{var e;const{target:i}=t;i instanceof Node&&this.el.contains(i)||(null===(e=this.prevent_hide)||void 0===e?void 0:e.call(this,t))||this.hide()},this._on_keydown=t=>{t.keyCode==l.Keys.Esc&&this.hide()},this._on_blur=()=>{this.hide()},this.orientation=null!==(i=e.orientation)&&void 0!==i?i:"vertical",this.reversed=null!==(n=e.reversed)&&void 0!==n&&n,this.prevent_hide=e.prevent_hide,(0,l.undisplay)(this.el)}get is_open(){return this._open}get can_open(){return 0!=this.items.length}remove(){(0,l.remove)(this.el),this._unlisten()}_listen(){document.addEventListener("mousedown",this._on_mousedown),document.addEventListener("keydown",this._on_keydown),window.addEventListener("blur",this._on_blur)}_unlisten(){document.removeEventListener("mousedown",this._on_mousedown),document.removeEventListener("keydown",this._on_keydown),window.removeEventListener("blur",this._on_blur)}_position(t){const e=this.el.parentElement;if(null!=e){const i=(()=>{if("left_of"in t){const{left:e,top:i}=t.left_of.getBoundingClientRect();return{right:e,top:i}}if("right_of"in t){const{top:e,right:i}=t.right_of.getBoundingClientRect();return{left:i,top:e}}if("below"in t){const{left:e,bottom:i}=t.below.getBoundingClientRect();return{left:e,top:i}}if("above"in t){const{left:e,top:i}=t.above.getBoundingClientRect();return{left:e,bottom:i}}return t})(),n=e.getBoundingClientRect();this.el.style.left=null!=i.left?i.left-n.left+"px":"",this.el.style.top=null!=i.top?i.top-n.top+"px":"",this.el.style.right=null!=i.right?n.right-i.right+"px":"",this.el.style.bottom=null!=i.bottom?n.bottom-i.bottom+"px":""}}render(){var t;(0,l.empty)(this.el,!0),(0,l.classes)(this.el).add("bk-context-menu",`bk-${this.orientation}`);const e=this.reversed?(0,h.reversed)(this.items):this.items;for(const i of e){let e;if(null==i)e=(0,l.div)({class:r.divider});else{if(null!=i.if&&!i.if())continue;if(null!=i.content)e=i.content;else{const n=null!=i.icon?(0,l.div)({class:["bk-menu-icon",i.icon]}):null,o=[(null===(t=i.active)||void 0===t?void 0:t.call(i))?"bk-active":null,i.class];e=(0,l.div)({class:o,title:i.tooltip,tabIndex:0},n,i.label,i.content),e.addEventListener("click",(()=>{this._item_click(i)})),e.addEventListener("keydown",(t=>{t.keyCode==l.Keys.Enter&&this._item_click(i)}))}}this.el.appendChild(e)}}show(t){if(0!=this.items.length&&!this._open){if(this.render(),0==this.el.children.length)return;this._position(null!=t?t:{left:0,top:0}),(0,l.display)(this.el),this._listen(),this._open=!0}}hide(){this._open&&(this._open=!1,this._unlisten(),(0,l.undisplay)(this.el))}toggle(t){this._open?this.hide():this.show(t)}}i.ContextMenu=d,d.__name__="ContextMenu"}, +function _(t,e,i,n,o){n();const s=t(1),c=t(224),l=(0,s.__importStar)(t(227)),a=t(43);class _ extends c.ButtonToolButtonView{render(){super.render(),(0,a.classes)(this.el).toggle(l.active,this.model.active)}_clicked(){const{active:t}=this.model;this.model.active=!t}}i.OnOffButtonView=_,_.__name__="OnOffButtonView"}, +function _(e,o,t,n,s){var c;n();const l=e(224),_=e(231);class i extends l.ButtonToolView{}t.InspectToolView=i,i.__name__="InspectToolView";class a extends l.ButtonTool{constructor(e){super(e),this.event_type="move"}}t.InspectTool=a,c=a,a.__name__="InspectTool",c.prototype.button_view=_.OnOffButtonView,c.define((({Boolean:e})=>({toggleable:[e,!0]}))),c.override({active:!0})}, +function _(t,o,e,l,i){l();const s=t(1);var n,a;const r=t(19),c=t(43),h=t(113),_=t(226),u=t(20),v=t(9),d=t(234),p=t(13),b=t(8),g=t(235),f=t(65),m=t(53),w=t(222),y=t(223),T=t(238),z=t(239),x=t(232),B=t(230),C=(0,s.__importStar)(t(227)),k=C,L=(0,s.__importStar)(t(240)),M=L;class S extends m.Model{constructor(t){super(t)}get visible(){var t;return!this.autohide||null!==(t=this._visible)&&void 0!==t&&t}}e.ToolbarViewModel=S,n=S,S.__name__="ToolbarViewModel",n.define((({Boolean:t})=>({autohide:[t,!1]}))),n.internal((({Boolean:t,Nullable:o})=>({_visible:[o(t),null]})));class $ extends _.DOMView{constructor(){super(...arguments),this.layout={bbox:new f.BBox}}initialize(){super.initialize(),this._tool_button_views=new Map,this._toolbar_view_model=new S({autohide:this.model.autohide});const{toolbar_location:t}=this.model,o="left"==t||"above"==t,e=this.model.horizontal?"vertical":"horizontal";this._overflow_menu=new B.ContextMenu([],{orientation:e,reversed:o})}async lazy_initialize(){await super.lazy_initialize(),await this._build_tool_button_views()}connect_signals(){super.connect_signals(),this.connect(this.model.properties.tools.change,(async()=>{await this._build_tool_button_views(),this.render()})),this.connect(this.model.properties.autohide.change,(()=>{this._toolbar_view_model.autohide=this.model.autohide,this._on_visible_change()})),this.connect(this._toolbar_view_model.properties._visible.change,(()=>this._on_visible_change()))}styles(){return[...super.styles(),C.default,L.default]}remove(){(0,h.remove_views)(this._tool_button_views),super.remove()}async _build_tool_button_views(){const t=null!=this.model._proxied_tools?this.model._proxied_tools:this.model.tools;await(0,h.build_views)(this._tool_button_views,t,{parent:this},(t=>t.button_view))}set_visibility(t){t!=this._toolbar_view_model._visible&&(this._toolbar_view_model._visible=t)}_on_visible_change(){const{visible:t}=this._toolbar_view_model;(0,c.classes)(this.el).toggle(k.toolbar_hidden,!t)}render(){(0,c.empty)(this.el),this.el.classList.add(k.toolbar),this.el.classList.add(k[this.model.toolbar_location]),this._toolbar_view_model.autohide=this.model.autohide,this._on_visible_change();const{horizontal:t}=this.model;let o=0;if(null!=this.model.logo){const e="grey"===this.model.logo?M.grey:null,l=(0,c.a)({href:"https://bokeh.org/",target:"_blank",class:[M.logo,M.logo_small,e]});this.el.appendChild(l);const{width:i,height:s}=l.getBoundingClientRect();o+=t?i:s}for(const[,t]of this._tool_button_views)t.render();const e=[],l=t=>this._tool_button_views.get(t).el,{gestures:i}=this.model;for(const t of(0,p.values)(i))e.push(t.tools.map(l));e.push(this.model.actions.map(l)),e.push(this.model.inspectors.filter((t=>t.toggleable)).map(l));const s=e.filter((t=>0!=t.length)),n=()=>(0,c.div)({class:k.divider}),{bbox:a}=this.layout;let r=!1;this.root.el.appendChild(this._overflow_menu.el);const h=(0,c.div)({class:k.tool_overflow,tabIndex:0},t?"\u22ee":"\u22ef"),_=()=>{const t=(()=>{switch(this.model.toolbar_location){case"right":return{left_of:h};case"left":return{right_of:h};case"above":return{below:h};case"below":return{above:h}}})();this._overflow_menu.toggle(t)};h.addEventListener("click",(()=>{_()})),h.addEventListener("keydown",(t=>{t.keyCode==c.Keys.Enter&&_()}));for(const e of(0,d.join)(s,n))if(r)this._overflow_menu.items.push({content:e,class:t?k.right:k.above});else{this.el.appendChild(e);const{width:l,height:i}=e.getBoundingClientRect();if(o+=t?l:i,r=t?o>a.width-15:o>a.height-15,r){this.el.removeChild(e),this.el.appendChild(h);const{items:t}=this._overflow_menu;t.splice(0,t.length),t.push({content:e})}}}update_layout(){}update_position(){}after_layout(){this._has_finished=!0}export(t,o=!0){const e="png"==t?"canvas":"svg",l=new g.CanvasLayer(e,o);return l.resize(0,0),l}}function V(){return{pan:{tools:[],active:null},scroll:{tools:[],active:null},pinch:{tools:[],active:null},tap:{tools:[],active:null},doubletap:{tools:[],active:null},press:{tools:[],active:null},pressup:{tools:[],active:null},rotate:{tools:[],active:null},move:{tools:[],active:null},multi:{tools:[],active:null}}}e.ToolbarBaseView=$,$.__name__="ToolbarBaseView";class A extends m.Model{constructor(t){super(t)}initialize(){super.initialize(),this._init_tools()}_init_tools(){const t=function(t,o){if(t.length!=o.length)return!0;const e=new Set(o.map((t=>t.id)));return(0,v.some)(t,(t=>!e.has(t.id)))},o=this.tools.filter((t=>t instanceof x.InspectTool));t(this.inspectors,o)&&(this.inspectors=o);const e=this.tools.filter((t=>t instanceof z.HelpTool));t(this.help,e)&&(this.help=e);const l=this.tools.filter((t=>t instanceof T.ActionTool));t(this.actions,l)&&(this.actions=l);const i=(t,o)=>{t in this.gestures||r.logger.warn(`Toolbar: unknown event type '${t}' for tool: ${o}`)},s={pan:{tools:[],active:null},scroll:{tools:[],active:null},pinch:{tools:[],active:null},tap:{tools:[],active:null},doubletap:{tools:[],active:null},press:{tools:[],active:null},pressup:{tools:[],active:null},rotate:{tools:[],active:null},move:{tools:[],active:null},multi:{tools:[],active:null}};for(const t of this.tools)if(t instanceof y.GestureTool&&t.event_type)if((0,b.isString)(t.event_type))s[t.event_type].tools.push(t),i(t.event_type,t);else{s.multi.tools.push(t);for(const o of t.event_type)i(o,t)}for(const o of Object.keys(s)){const e=this.gestures[o];t(e.tools,s[o].tools)&&(e.tools=s[o].tools),e.active&&(0,v.every)(e.tools,(t=>t.id!=e.active.id))&&(e.active=null)}}get horizontal(){return"above"===this.toolbar_location||"below"===this.toolbar_location}get vertical(){return"left"===this.toolbar_location||"right"===this.toolbar_location}_active_change(t){const{event_type:o}=t;if(null==o)return;const e=(0,b.isString)(o)?[o]:o;for(const o of e)if(t.active){const e=this.gestures[o].active;null!=e&&t!=e&&(r.logger.debug(`Toolbar: deactivating tool: ${e} for event type '${o}'`),e.active=!1),this.gestures[o].active=t,r.logger.debug(`Toolbar: activating tool: ${t} for event type '${o}'`)}else this.gestures[o].active=null}}e.ToolbarBase=A,a=A,A.__name__="ToolbarBase",a.prototype.default_view=$,a.define((({Boolean:t,Array:o,Ref:e,Nullable:l})=>({tools:[o(e(w.Tool)),[]],logo:[l(u.Logo),"normal"],autohide:[t,!1]}))),a.internal((({Array:t,Struct:o,Ref:e,Nullable:l})=>{const i=o({tools:t(e(y.GestureTool)),active:l(e(w.Tool))});return{gestures:[o({pan:i,scroll:i,pinch:i,tap:i,doubletap:i,press:i,pressup:i,rotate:i,move:i,multi:i}),V],actions:[t(e(T.ActionTool)),[]],inspectors:[t(e(x.InspectTool)),[]],help:[t(e(z.HelpTool)),[]],toolbar_location:[u.Location,"right"]}}))}, +function _(n,o,e,t,f){t();const r=n(9);function*i(n,o){const e=n.length;if(o>e)return;const t=(0,r.range)(o);for(yield t.map((o=>n[o]));;){let f;for(const n of(0,r.reversed)((0,r.range)(o)))if(t[n]!=n+e-o){f=n;break}if(null==f)return;t[f]+=1;for(const n of(0,r.range)(f+1,o))t[n]=t[n-1]+1;yield t.map((o=>n[o]))}}e.enumerate=function*(n){let o=0;for(const e of n)yield[e,o++]},e.join=function*(n,o){let e=!0;for(const 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t({attachment:[h.TooltipAttachment,"horizontal"],inner_only:[e,!0],show_arrow:[e,!0]}))),n.internal((({Boolean:e,Number:t,Tuple:s,Ref:i,Nullable:l})=>({position:[l(s(t,t)),null],content:[i(HTMLElement),()=>(0,r.div)()],custom:[e]}))),n.override({level:"overlay"})}, +function _(o,t,r,e,l){e(),r.root="bk-root",r.tooltip="bk-tooltip",r.left="bk-left",r.tooltip_arrow="bk-tooltip-arrow",r.right="bk-right",r.above="bk-above",r.below="bk-below",r.tooltip_row_label="bk-tooltip-row-label",r.tooltip_row_value="bk-tooltip-row-value",r.tooltip_color_block="bk-tooltip-color-block",r.default='.bk-root{}.bk-root .bk-tooltip{font-weight:300;font-size:12px;position:absolute;padding:5px;border:1px solid #e5e5e5;color:#2f2f2f;background-color:white;pointer-events:none;opacity:0.95;z-index:100;}.bk-root .bk-tooltip > div:not(:first-child){margin-top:5px;border-top:#e5e5e5 1px dashed;}.bk-root .bk-tooltip.bk-left.bk-tooltip-arrow::before{position:absolute;margin:-7px 0 0 0;top:50%;width:0;height:0;border-style:solid;border-width:7px 0 7px 0;border-color:transparent;content:" ";display:block;left:-10px;border-right-width:10px;border-right-color:#909599;}.bk-root .bk-tooltip.bk-left::before{left:-10px;border-right-width:10px;border-right-color:#909599;}.bk-root .bk-tooltip.bk-right.bk-tooltip-arrow::after{position:absolute;margin:-7px 0 0 0;top:50%;width:0;height:0;border-style:solid;border-width:7px 0 7px 0;border-color:transparent;content:" ";display:block;right:-10px;border-left-width:10px;border-left-color:#909599;}.bk-root .bk-tooltip.bk-right::after{right:-10px;border-left-width:10px;border-left-color:#909599;}.bk-root .bk-tooltip.bk-above::before{position:absolute;margin:0 0 0 -7px;left:50%;width:0;height:0;border-style:solid;border-width:0 7px 0 7px;border-color:transparent;content:" ";display:block;top:-10px;border-bottom-width:10px;border-bottom-color:#909599;}.bk-root .bk-tooltip.bk-below::after{position:absolute;margin:0 0 0 -7px;left:50%;width:0;height:0;border-style:solid;border-width:0 7px 0 7px;border-color:transparent;content:" ";display:block;bottom:-10px;border-top-width:10px;border-top-color:#909599;}.bk-root .bk-tooltip-row-label{text-align:right;color:#26aae1;}.bk-root .bk-tooltip-row-value{color:default;}.bk-root .bk-tooltip-color-block{width:12px;height:12px;margin-left:5px;margin-right:5px;outline:#dddddd solid 1px;display:inline-block;}'}, +function _(e,t,s,i,r){var a;i();const l=e(115),_=e(112),h=e(113),o=e(48);class n extends l.UpperLowerView{async lazy_initialize(){await super.lazy_initialize();const{lower_head:e,upper_head:t}=this.model;null!=e&&(this.lower_head=await(0,h.build_view)(e,{parent:this})),null!=t&&(this.upper_head=await(0,h.build_view)(t,{parent:this}))}set_data(e){var t,s;super.set_data(e),null===(t=this.lower_head)||void 0===t||t.set_data(e),null===(s=this.upper_head)||void 0===s||s.set_data(e)}paint(e){if(this.visuals.line.doit)for(let t=0,s=this._lower_sx.length;t({lower_head:[t(e(_.ArrowHead)),()=>new _.TeeHead({size:10})],upper_head:[t(e(_.ArrowHead)),()=>new _.TeeHead({size:10})]}))),a.override({level:"underlay"})}, +function _(n,o,t,u,e){u(),e("CustomJS",n(245).CustomJS),e("OpenURL",n(247).OpenURL)}, +function _(t,e,s,n,c){var a;n();const r=t(246),u=t(13),o=t(34);class i extends r.Callback{constructor(t){super(t)}get names(){return(0,u.keys)(this.args)}get values(){return(0,u.values)(this.args)}get func(){const t=(0,o.use_strict)(this.code);return new Function(...this.names,"cb_obj","cb_data",t)}execute(t,e={}){return this.func.apply(t,this.values.concat(t,e))}}s.CustomJS=i,a=i,i.__name__="CustomJS",a.define((({Unknown:t,String:e,Dict:s})=>({args:[s(t),{}],code:[e,""]})))}, +function _(c,a,l,n,s){n();const e=c(53);class o extends e.Model{constructor(c){super(c)}}l.Callback=o,o.__name__="Callback"}, +function _(e,t,n,o,i){var s;o();const c=e(246),r=e(152),a=e(8);class d extends c.Callback{constructor(e){super(e)}navigate(e){this.same_tab?window.location.href=e:window.open(e)}execute(e,{source:t}){const n=e=>{const n=(0,r.replace_placeholders)(this.url,t,e,void 0,void 0,encodeURI);if(!(0,a.isString)(n))throw new Error("HTML output is not supported in this context");this.navigate(n)},{selected:o}=t;for(const e of o.indices)n(e);for(const e of o.line_indices)n(e)}}n.OpenURL=d,s=d,d.__name__="OpenURL",s.define((({Boolean:e,String:t})=>({url:[t,"http://"],same_tab:[e,!1]})))}, +function _(a,n,i,e,r){e(),r("Canvas",a(249).Canvas),r("CartesianFrame",a(126).CartesianFrame),r("CoordinateMapping",a(54).CoordinateMapping)}, +function _(e,t,i,s,a){var r,l=this&&this.__createBinding||(Object.create?function(e,t,i,s){void 0===s&&(s=i),Object.defineProperty(e,s,{enumerable:!0,get:function(){return t[i]}})}:function(e,t,i,s){void 0===s&&(s=i),e[s]=t[i]}),n=this&&this.__setModuleDefault||(Object.create?function(e,t){Object.defineProperty(e,"default",{enumerable:!0,value:t})}:function(e,t){e.default=t}),o=this&&this.__importStar||function(e){if(e&&e.__esModule)return e;var t={};if(null!=e)for(var i in e)"default"!==i&&Object.prototype.hasOwnProperty.call(e,i)&&l(t,e,i);return n(t,e),t};s();const h=e(14),c=e(226),u=e(19),_=e(43),d=e(20),p=e(13),b=e(250),v=e(65),g=e(138),w=e(235);const y=(()=>{let t;return async()=>void 0!==t?t:t=await async function(){const t=document.createElement("canvas"),i=t.getContext("webgl",{premultipliedAlpha:!0});if(null!=i){const s=await(0,g.load_module)(Promise.resolve().then((()=>o(e(410)))));if(null!=s){const e=s.get_regl(i);if(e.has_webgl)return{canvas:t,regl_wrapper:e};u.logger.trace("WebGL is supported, but not the required extensions")}else u.logger.trace("WebGL is supported, but bokehjs(.min).js bundle is not available")}else u.logger.trace("WebGL is not supported");return null}()})(),m={position:"absolute",top:"0",left:"0",width:"100%",height:"100%"};class f extends c.DOMView{constructor(){super(...arguments),this.bbox=new v.BBox,this.webgl=null}initialize(){super.initialize(),this.underlays_el=(0,_.div)({style:m}),this.primary=this.create_layer(),this.overlays=this.create_layer(),this.overlays_el=(0,_.div)({style:m}),this.events_el=(0,_.div)({class:"bk-canvas-events",style:m});const e=[this.underlays_el,this.primary.el,this.overlays.el,this.overlays_el,this.events_el];(0,p.extend)(this.el.style,m),(0,_.append)(this.el,...e),this.ui_event_bus=new b.UIEventBus(this)}async lazy_initialize(){await super.lazy_initialize(),"webgl"==this.model.output_backend&&(this.webgl=await y())}remove(){this.ui_event_bus.destroy(),super.remove()}add_underlay(e){this.underlays_el.appendChild(e)}add_overlay(e){this.overlays_el.appendChild(e)}add_event(e){this.events_el.appendChild(e)}get pixel_ratio(){return this.primary.pixel_ratio}resize(e,t){this.bbox=new v.BBox({left:0,top:0,width:e,height:t}),this.primary.resize(e,t),this.overlays.resize(e,t)}prepare_webgl(e){const{webgl:t}=this;if(null!=t){const{width:i,height:s}=this.bbox;t.canvas.width=this.pixel_ratio*i,t.canvas.height=this.pixel_ratio*s;const[a,r,l,n]=e,{xview:o,yview:h}=this.bbox,c=o.compute(a),u=h.compute(r+n),_=this.pixel_ratio;t.regl_wrapper.set_scissor(_*c,_*u,_*l,_*n),this._clear_webgl()}}blit_webgl(e){const{webgl:t}=this;if(null!=t){if(u.logger.debug("Blitting WebGL canvas"),e.restore(),e.drawImage(t.canvas,0,0),e.save(),this.model.hidpi){const t=this.pixel_ratio;e.scale(t,t),e.translate(.5,.5)}this._clear_webgl()}}_clear_webgl(){const{webgl:e}=this;if(null!=e){const{regl_wrapper:t,canvas:i}=e;t.clear(i.width,i.height)}}compose(){const e=this.create_layer(),{width:t,height:i}=this.bbox;return e.resize(t,i),e.ctx.drawImage(this.primary.canvas,0,0),e.ctx.drawImage(this.overlays.canvas,0,0),e}create_layer(){const{output_backend:e,hidpi:t}=this.model;return new w.CanvasLayer(e,t)}to_blob(){return this.compose().to_blob()}}i.CanvasView=f,f.__name__="CanvasView";class x extends h.HasProps{constructor(e){super(e)}}i.Canvas=x,r=x,x.__name__="Canvas",r.prototype.default_view=f,r.internal((({Boolean:e})=>({hidpi:[e,!0],output_backend:[d.OutputBackend,"canvas"]})))}, +function _(t,e,s,n,i){n();const r=t(1),a=(0,r.__importDefault)(t(225)),_=t(15),h=t(19),o=t(43),l=(0,r.__importStar)(t(251)),c=t(252),p=t(9),u=t(8),v=t(27),d=t(230);class g{constructor(t){this.canvas_view=t,this.pan_start=new _.Signal(this,"pan:start"),this.pan=new _.Signal(this,"pan"),this.pan_end=new _.Signal(this,"pan:end"),this.pinch_start=new _.Signal(this,"pinch:start"),this.pinch=new _.Signal(this,"pinch"),this.pinch_end=new _.Signal(this,"pinch:end"),this.rotate_start=new _.Signal(this,"rotate:start"),this.rotate=new _.Signal(this,"rotate"),this.rotate_end=new _.Signal(this,"rotate:end"),this.tap=new _.Signal(this,"tap"),this.doubletap=new _.Signal(this,"doubletap"),this.press=new _.Signal(this,"press"),this.pressup=new _.Signal(this,"pressup"),this.move_enter=new _.Signal(this,"move:enter"),this.move=new _.Signal(this,"move"),this.move_exit=new _.Signal(this,"move:exit"),this.scroll=new _.Signal(this,"scroll"),this.keydown=new _.Signal(this,"keydown"),this.keyup=new _.Signal(this,"keyup"),this.hammer=new a.default(this.hit_area,{touchAction:"auto",inputClass:a.default.TouchMouseInput}),this._prev_move=null,this._curr_pan=null,this._curr_pinch=null,this._curr_rotate=null,this._configure_hammerjs(),this.hit_area.addEventListener("mousemove",(t=>this._mouse_move(t))),this.hit_area.addEventListener("mouseenter",(t=>this._mouse_enter(t))),this.hit_area.addEventListener("mouseleave",(t=>this._mouse_exit(t))),this.hit_area.addEventListener("contextmenu",(t=>this._context_menu(t))),this.hit_area.addEventListener("wheel",(t=>this._mouse_wheel(t))),document.addEventListener("keydown",this),document.addEventListener("keyup",this),this.menu=new d.ContextMenu([],{prevent_hide:t=>2==t.button&&t.target==this.hit_area}),this.hit_area.appendChild(this.menu.el)}get hit_area(){return this.canvas_view.events_el}destroy(){this.menu.remove(),this.hammer.destroy(),document.removeEventListener("keydown",this),document.removeEventListener("keyup",this)}handleEvent(t){"keydown"==t.type?this._key_down(t):"keyup"==t.type&&this._key_up(t)}_configure_hammerjs(){this.hammer.get("doubletap").recognizeWith("tap"),this.hammer.get("tap").requireFailure("doubletap"),this.hammer.get("doubletap").dropRequireFailure("tap"),this.hammer.on("doubletap",(t=>this._doubletap(t))),this.hammer.on("tap",(t=>this._tap(t))),this.hammer.on("press",(t=>this._press(t))),this.hammer.on("pressup",(t=>this._pressup(t))),this.hammer.get("pan").set({direction:a.default.DIRECTION_ALL}),this.hammer.on("panstart",(t=>this._pan_start(t))),this.hammer.on("pan",(t=>this._pan(t))),this.hammer.on("panend",(t=>this._pan_end(t))),this.hammer.get("pinch").set({enable:!0}),this.hammer.on("pinchstart",(t=>this._pinch_start(t))),this.hammer.on("pinch",(t=>this._pinch(t))),this.hammer.on("pinchend",(t=>this._pinch_end(t))),this.hammer.get("rotate").set({enable:!0}),this.hammer.on("rotatestart",(t=>this._rotate_start(t))),this.hammer.on("rotate",(t=>this._rotate(t))),this.hammer.on("rotateend",(t=>this._rotate_end(t)))}register_tool(t){const e=t.model.event_type;null!=e&&((0,u.isString)(e)?this._register_tool(t,e):e.forEach(((e,s)=>this._register_tool(t,e,s<1))))}_register_tool(t,e,s=!0){const n=t,{id:i}=n.model,r=t=>e=>{e.id==i&&t(e.e)},a=t=>e=>{t(e.e)};switch(e){case"pan":null!=n._pan_start&&n.connect(this.pan_start,r(n._pan_start.bind(n))),null!=n._pan&&n.connect(this.pan,r(n._pan.bind(n))),null!=n._pan_end&&n.connect(this.pan_end,r(n._pan_end.bind(n)));break;case"pinch":null!=n._pinch_start&&n.connect(this.pinch_start,r(n._pinch_start.bind(n))),null!=n._pinch&&n.connect(this.pinch,r(n._pinch.bind(n))),null!=n._pinch_end&&n.connect(this.pinch_end,r(n._pinch_end.bind(n)));break;case"rotate":null!=n._rotate_start&&n.connect(this.rotate_start,r(n._rotate_start.bind(n))),null!=n._rotate&&n.connect(this.rotate,r(n._rotate.bind(n))),null!=n._rotate_end&&n.connect(this.rotate_end,r(n._rotate_end.bind(n)));break;case"move":null!=n._move_enter&&n.connect(this.move_enter,r(n._move_enter.bind(n))),null!=n._move&&n.connect(this.move,r(n._move.bind(n))),null!=n._move_exit&&n.connect(this.move_exit,r(n._move_exit.bind(n)));break;case"tap":null!=n._tap&&n.connect(this.tap,r(n._tap.bind(n))),null!=n._doubletap&&n.connect(this.doubletap,r(n._doubletap.bind(n)));break;case"press":null!=n._press&&n.connect(this.press,r(n._press.bind(n))),null!=n._pressup&&n.connect(this.pressup,r(n._pressup.bind(n)));break;case"scroll":null!=n._scroll&&n.connect(this.scroll,r(n._scroll.bind(n)));break;default:throw new Error(`unsupported event_type: ${e}`)}s&&(null!=n._keydown&&n.connect(this.keydown,a(n._keydown.bind(n))),null!=n._keyup&&n.connect(this.keyup,a(n._keyup.bind(n))),v.is_mobile&&null!=n._scroll&&"pinch"==e&&(h.logger.debug("Registering scroll on touch screen"),n.connect(this.scroll,r(n._scroll.bind(n)))))}_hit_test_renderers(t,e,s){var n;const i=t.get_renderer_views();for(const t of(0,p.reversed)(i))if(null===(n=t.interactive_hit)||void 0===n?void 0:n.call(t,e,s))return t;return null}set_cursor(t="default"){this.hit_area.style.cursor=t}_hit_test_frame(t,e,s){return t.frame.bbox.contains(e,s)}_hit_test_canvas(t,e,s){return t.layout.bbox.contains(e,s)}_hit_test_plot(t,e){for(const s of this.canvas_view.plot_views)if(s.layout.bbox.relative().contains(t,e))return s;return null}_trigger(t,e,s){var n;const{sx:i,sy:r}=e,a=this._hit_test_plot(i,r),_=t=>{const[s,n]=[i,r];return Object.assign(Object.assign({},e),{sx:s,sy:n})};if("panstart"==e.type||"pan"==e.type||"panend"==e.type){let n;if("panstart"==e.type&&null!=a?(this._curr_pan={plot_view:a},n=a):"pan"==e.type&&null!=this._curr_pan?n=this._curr_pan.plot_view:"panend"==e.type&&null!=this._curr_pan?(n=this._curr_pan.plot_view,this._curr_pan=null):n=null,null!=n){const e=_();this.__trigger(n,t,e,s)}}else if("pinchstart"==e.type||"pinch"==e.type||"pinchend"==e.type){let n;if("pinchstart"==e.type&&null!=a?(this._curr_pinch={plot_view:a},n=a):"pinch"==e.type&&null!=this._curr_pinch?n=this._curr_pinch.plot_view:"pinchend"==e.type&&null!=this._curr_pinch?(n=this._curr_pinch.plot_view,this._curr_pinch=null):n=null,null!=n){const e=_();this.__trigger(n,t,e,s)}}else if("rotatestart"==e.type||"rotate"==e.type||"rotateend"==e.type){let n;if("rotatestart"==e.type&&null!=a?(this._curr_rotate={plot_view:a},n=a):"rotate"==e.type&&null!=this._curr_rotate?n=this._curr_rotate.plot_view:"rotateend"==e.type&&null!=this._curr_rotate?(n=this._curr_rotate.plot_view,this._curr_rotate=null):n=null,null!=n){const e=_();this.__trigger(n,t,e,s)}}else if("mouseenter"==e.type||"mousemove"==e.type||"mouseleave"==e.type){const h=null===(n=this._prev_move)||void 0===n?void 0:n.plot_view;if(null!=h&&("mouseleave"==e.type||h!=a)){const{sx:t,sy:e}=_();this.__trigger(h,this.move_exit,{type:"mouseleave",sx:t,sy:e,shiftKey:!1,ctrlKey:!1},s)}if(null!=a&&("mouseenter"==e.type||h!=a)){const{sx:t,sy:e}=_();this.__trigger(a,this.move_enter,{type:"mouseenter",sx:t,sy:e,shiftKey:!1,ctrlKey:!1},s)}if(null!=a&&"mousemove"==e.type){const e=_();this.__trigger(a,t,e,s)}this._prev_move={sx:i,sy:r,plot_view:a}}else if(null!=a){const e=_();this.__trigger(a,t,e,s)}}__trigger(t,e,s,n){var i,r;const a=t.model.toolbar.gestures,_=e.name.split(":")[0],h=this._hit_test_renderers(t,s.sx,s.sy),o=this._hit_test_canvas(t,s.sx,s.sy);switch(_){case"move":{const n=a[_].active;null!=n&&this.trigger(e,s,n.id);const r=t.model.toolbar.inspectors.filter((t=>t.active));let l="default";null!=h?(l=null!==(i=h.cursor(s.sx,s.sy))&&void 0!==i?i:l,(0,p.is_empty)(r)||(e=this.move_exit)):this._hit_test_frame(t,s.sx,s.sy)&&((0,p.is_empty)(r)||(l="crosshair")),this.set_cursor(l),t.set_toolbar_visibility(o),r.map((t=>this.trigger(e,s,t.id)));break}case"tap":{const{target:t}=n;if(null!=t&&t!=this.hit_area)return;null!=h&&null!=h.on_hit&&h.on_hit(s.sx,s.sy);const i=a[_].active;null!=i&&this.trigger(e,s,i.id);break}case"doubletap":{const t=null!==(r=a.doubletap.active)&&void 0!==r?r:a.tap.active;null!=t&&this.trigger(e,s,t.id);break}case"scroll":{const t=a[v.is_mobile?"pinch":"scroll"].active;null!=t&&(n.preventDefault(),n.stopPropagation(),this.trigger(e,s,t.id));break}case"pan":{const t=a[_].active;null!=t&&(n.preventDefault(),this.trigger(e,s,t.id));break}default:{const t=a[_].active;null!=t&&this.trigger(e,s,t.id)}}this._trigger_bokeh_event(t,s)}trigger(t,e,s=null){t.emit({id:s,e})}_trigger_bokeh_event(t,e){const s=(()=>{const{sx:s,sy:n}=e,i=t.frame.x_scale.invert(s),r=t.frame.y_scale.invert(n);switch(e.type){case"wheel":return new l.MouseWheel(s,n,i,r,e.delta);case"mousemove":return new l.MouseMove(s,n,i,r);case"mouseenter":return new l.MouseEnter(s,n,i,r);case"mouseleave":return new l.MouseLeave(s,n,i,r);case"tap":return new l.Tap(s,n,i,r);case"doubletap":return new l.DoubleTap(s,n,i,r);case"press":return new l.Press(s,n,i,r);case"pressup":return new l.PressUp(s,n,i,r);case"pan":return new l.Pan(s,n,i,r,e.deltaX,e.deltaY);case"panstart":return new l.PanStart(s,n,i,r);case"panend":return new l.PanEnd(s,n,i,r);case"pinch":return new l.Pinch(s,n,i,r,e.scale);case"pinchstart":return new l.PinchStart(s,n,i,r);case"pinchend":return new l.PinchEnd(s,n,i,r);case"rotate":return new l.Rotate(s,n,i,r,e.rotation);case"rotatestart":return new l.RotateStart(s,n,i,r);case"rotateend":return new l.RotateEnd(s,n,i,r);default:return}})();null!=s&&t.model.trigger_event(s)}_get_sxy(t){const{pageX:e,pageY:s}=function(t){return"undefined"!=typeof TouchEvent&&t instanceof TouchEvent}(t)?(0!=t.touches.length?t.touches:t.changedTouches)[0]:t,{left:n,top:i}=(0,o.offset)(this.hit_area);return{sx:e-n,sy:s-i}}_pan_event(t){return Object.assign(Object.assign({type:t.type},this._get_sxy(t.srcEvent)),{deltaX:t.deltaX,deltaY:t.deltaY,shiftKey:t.srcEvent.shiftKey,ctrlKey:t.srcEvent.ctrlKey})}_pinch_event(t){return Object.assign(Object.assign({type:t.type},this._get_sxy(t.srcEvent)),{scale:t.scale,shiftKey:t.srcEvent.shiftKey,ctrlKey:t.srcEvent.ctrlKey})}_rotate_event(t){return Object.assign(Object.assign({type:t.type},this._get_sxy(t.srcEvent)),{rotation:t.rotation,shiftKey:t.srcEvent.shiftKey,ctrlKey:t.srcEvent.ctrlKey})}_tap_event(t){return Object.assign(Object.assign({type:t.type},this._get_sxy(t.srcEvent)),{shiftKey:t.srcEvent.shiftKey,ctrlKey:t.srcEvent.ctrlKey})}_move_event(t){return Object.assign(Object.assign({type:t.type},this._get_sxy(t)),{shiftKey:t.shiftKey,ctrlKey:t.ctrlKey})}_scroll_event(t){return Object.assign(Object.assign({type:t.type},this._get_sxy(t)),{delta:(0,c.getDeltaY)(t),shiftKey:t.shiftKey,ctrlKey:t.ctrlKey})}_key_event(t){return{type:t.type,keyCode:t.keyCode}}_pan_start(t){const 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o.XYGlyph{constructor(e){super(e)}}s.AnnularWedge=g,a=g,g.__name__="AnnularWedge",a.prototype.default_view=x,a.mixins([d.LineVector,d.FillVector,d.HatchVector]),a.define((({})=>({direction:[h.Direction,"anticlock"],inner_radius:[c.DistanceSpec,{field:"inner_radius"}],outer_radius:[c.DistanceSpec,{field:"outer_radius"}],start_angle:[c.AngleSpec,{field:"start_angle"}],end_angle:[c.AngleSpec,{field:"end_angle"}]})))}, +function _(s,e,i,r,t){r();const n=s(1);var a;const u=s(178),o=s(24),_=s(48),d=(0,n.__importStar)(s(18)),h=s(27),c=s(72);class l extends u.XYGlyphView{_map_data(){"data"==this.model.properties.inner_radius.units?this.sinner_radius=this.sdist(this.renderer.xscale,this._x,this.inner_radius):this.sinner_radius=(0,o.to_screen)(this.inner_radius),"data"==this.model.properties.outer_radius.units?this.souter_radius=this.sdist(this.renderer.xscale,this._x,this.outer_radius):this.souter_radius=(0,o.to_screen)(this.outer_radius)}_render(s,e,i){const{sx:r,sy:t,sinner_radius:n,souter_radius:a}=null!=i?i:this;for(const i of e){const e=r[i],u=t[i],o=n[i],_=a[i];if(isFinite(e+u+o+_)){if(s.beginPath(),h.is_ie)for(const i of[!1,!0])s.moveTo(e,u),s.arc(e,u,o,0,Math.PI,i),s.moveTo(e+_,u),s.arc(e,u,_,Math.PI,0,!i);else s.arc(e,u,o,0,2*Math.PI,!0),s.moveTo(e+_,u),s.arc(e,u,_,2*Math.PI,0,!1);this.visuals.fill.apply(s,i),this.visuals.hatch.apply(s,i),this.visuals.line.apply(s,i)}}}_hit_point(s){const{sx:e,sy:i}=s,r=this.renderer.xscale.invert(e),t=this.renderer.yscale.invert(i);let n,a,u,o;if("data"==this.model.properties.outer_radius.units)n=r-this.max_outer_radius,u=r+this.max_outer_radius,a=t-this.max_outer_radius,o=t+this.max_outer_radius;else{const s=e-this.max_outer_radius,r=e+this.max_outer_radius;[n,u]=this.renderer.xscale.r_invert(s,r);const t=i-this.max_outer_radius,_=i+this.max_outer_radius;[a,o]=this.renderer.yscale.r_invert(t,_)}const _=[];for(const s of this.index.indices({x0:n,x1:u,y0:a,y1:o})){const e=this.souter_radius[s]**2,i=this.sinner_radius[s]**2,[n,a]=this.renderer.xscale.r_compute(r,this._x[s]),[u,o]=this.renderer.yscale.r_compute(t,this._y[s]),d=(n-a)**2+(u-o)**2;d<=e&&d>=i&&_.push(s)}return new c.Selection({indices:_})}draw_legend_for_index(s,{x0:e,y0:i,x1:r,y1:t},n){const a=n+1,u=new Array(a);u[n]=(e+r)/2;const o=new Array(a);o[n]=(i+t)/2;const _=.5*Math.min(Math.abs(r-e),Math.abs(t-i)),d=new Array(a);d[n]=.4*_;const h=new Array(a);h[n]=.8*_,this._render(s,[n],{sx:u,sy:o,sinner_radius:d,souter_radius:h})}}i.AnnulusView=l,l.__name__="AnnulusView";class x extends u.XYGlyph{constructor(s){super(s)}}i.Annulus=x,a=x,x.__name__="Annulus",a.prototype.default_view=l,a.mixins([_.LineVector,_.FillVector,_.HatchVector]),a.define((({})=>({inner_radius:[d.DistanceSpec,{field:"inner_radius"}],outer_radius:[d.DistanceSpec,{field:"outer_radius"}]})))}, +function _(e,i,s,t,n){t();const r=e(1);var a;const c=e(178),d=e(184),l=e(48),_=e(24),o=e(20),u=(0,r.__importStar)(e(18));class h extends c.XYGlyphView{_map_data(){"data"==this.model.properties.radius.units?this.sradius=this.sdist(this.renderer.xscale,this._x,this.radius):this.sradius=(0,_.to_screen)(this.radius)}_render(e,i,s){if(this.visuals.line.doit){const{sx:t,sy:n,sradius:r,start_angle:a,end_angle:c}=null!=s?s:this,d="anticlock"==this.model.direction;for(const s of i){const i=t[s],l=n[s],_=r[s],o=a.get(s),u=c.get(s);isFinite(i+l+_+o+u)&&(e.beginPath(),e.arc(i,l,_,o,u,d),this.visuals.line.set_vectorize(e,s),e.stroke())}}}draw_legend_for_index(e,i,s){(0,d.generic_line_vector_legend)(this.visuals,e,i,s)}}s.ArcView=h,h.__name__="ArcView";class g extends c.XYGlyph{constructor(e){super(e)}}s.Arc=g,a=g,g.__name__="Arc",a.prototype.default_view=h,a.mixins(l.LineVector),a.define((({})=>({direction:[o.Direction,"anticlock"],radius:[u.DistanceSpec,{field:"radius"}],start_angle:[u.AngleSpec,{field:"start_angle"}],end_angle:[u.AngleSpec,{field:"end_angle"}]})))}, +function _(e,t,i,n,s){n();const o=e(1);var c;const r=e(48),a=e(179),_=e(184),d=e(78),l=(0,o.__importStar)(e(18));function x(e,t,i,n,s,o,c,r){const a=[],_=[[],[]];for(let _=0;_<=2;_++){let d,l,x;if(0===_?(l=6*e-12*i+6*s,d=-3*e+9*i-9*s+3*c,x=3*i-3*e):(l=6*t-12*n+6*o,d=-3*t+9*n-9*o+3*r,x=3*n-3*t),Math.abs(d)<1e-12){if(Math.abs(l)<1e-12)continue;const e=-x/l;0({x0:[l.XCoordinateSpec,{field:"x0"}],y0:[l.YCoordinateSpec,{field:"y0"}],x1:[l.XCoordinateSpec,{field:"x1"}],y1:[l.YCoordinateSpec,{field:"y1"}],cx0:[l.XCoordinateSpec,{field:"cx0"}],cy0:[l.YCoordinateSpec,{field:"cy0"}],cx1:[l.XCoordinateSpec,{field:"cx1"}],cy1:[l.YCoordinateSpec,{field:"cy1"}]}))),c.mixins(r.LineVector)}, +function _(s,i,e,t,r){t();const a=s(1);var n;const h=s(178),d=s(48),l=s(24),c=s(20),_=(0,a.__importStar)(s(185)),u=(0,a.__importStar)(s(18)),o=s(9),x=s(12),m=s(72);class p extends h.XYGlyphView{async lazy_initialize(){await super.lazy_initialize();const{webgl:i}=this.renderer.plot_view.canvas_view;if(null==i?void 0:i.regl_wrapper.has_webgl){const{MarkerGL:e}=await Promise.resolve().then((()=>(0,a.__importStar)(s(426))));this.glglyph=new e(i.regl_wrapper,this,"circle")}}get use_radius(){return!(this.radius.is_Scalar()&&isNaN(this.radius.value))}_set_data(s){super._set_data(s);const i=(()=>{if(this.use_radius)return 2*this.max_radius;{const{size:s}=this;return s.is_Scalar()?s.value:(0,x.max)(s.array)}})();this._configure("max_size",{value:i})}_map_data(){if(this.use_radius)if("data"==this.model.properties.radius.units)switch(this.model.radius_dimension){case"x":this.sradius=this.sdist(this.renderer.xscale,this._x,this.radius);break;case"y":this.sradius=this.sdist(this.renderer.yscale,this._y,this.radius);break;case"max":{const s=this.sdist(this.renderer.xscale,this._x,this.radius),i=this.sdist(this.renderer.yscale,this._y,this.radius);this.sradius=(0,x.map)(s,((s,e)=>Math.max(s,i[e])));break}case"min":{const s=this.sdist(this.renderer.xscale,this._x,this.radius),i=this.sdist(this.renderer.yscale,this._y,this.radius);this.sradius=(0,x.map)(s,((s,e)=>Math.min(s,i[e])));break}}else this.sradius=(0,l.to_screen)(this.radius);else{const s=l.ScreenArray.from(this.size);this.sradius=(0,x.map)(s,(s=>s/2))}}_mask_data(){const{frame:s}=this.renderer.plot_view,i=s.x_target,e=s.y_target;let t,r;return this.use_radius&&"data"==this.model.properties.radius.units?(t=i.map((s=>this.renderer.xscale.invert(s))).widen(this.max_radius),r=e.map((s=>this.renderer.yscale.invert(s))).widen(this.max_radius)):(t=i.widen(this.max_size).map((s=>this.renderer.xscale.invert(s))),r=e.widen(this.max_size).map((s=>this.renderer.yscale.invert(s)))),this.index.indices({x0:t.start,x1:t.end,y0:r.start,y1:r.end})}_render(s,i,e){const{sx:t,sy:r,sradius:a}=null!=e?e:this;for(const e of i){const i=t[e],n=r[e],h=a[e];isFinite(i+n+h)&&(s.beginPath(),s.arc(i,n,h,0,2*Math.PI,!1),this.visuals.fill.apply(s,e),this.visuals.hatch.apply(s,e),this.visuals.line.apply(s,e))}}_hit_point(s){const{sx:i,sy:e}=s,t=this.renderer.xscale.invert(i),r=this.renderer.yscale.invert(e),{hit_dilation:a}=this.model;let n,h,d,l;if(this.use_radius&&"data"==this.model.properties.radius.units)n=t-this.max_radius*a,h=t+this.max_radius*a,d=r-this.max_radius*a,l=r+this.max_radius*a;else{const s=i-this.max_size*a,t=i+this.max_size*a;[n,h]=this.renderer.xscale.r_invert(s,t);const r=e-this.max_size*a,c=e+this.max_size*a;[d,l]=this.renderer.yscale.r_invert(r,c)}const c=this.index.indices({x0:n,x1:h,y0:d,y1:l}),_=[];if(this.use_radius&&"data"==this.model.properties.radius.units)for(const s of c){const i=(this.sradius[s]*a)**2,[e,n]=this.renderer.xscale.r_compute(t,this._x[s]),[h,d]=this.renderer.yscale.r_compute(r,this._y[s]);(e-n)**2+(h-d)**2<=i&&_.push(s)}else for(const s of c){const t=(this.sradius[s]*a)**2;(this.sx[s]-i)**2+(this.sy[s]-e)**2<=t&&_.push(s)}return new m.Selection({indices:_})}_hit_span(s){const{sx:i,sy:e}=s,t=this.bounds();let r,a,n,h;if("h"==s.direction){let s,e;if(n=t.y0,h=t.y1,this.use_radius&&"data"==this.model.properties.radius.units)s=i-this.max_radius,e=i+this.max_radius,[r,a]=this.renderer.xscale.r_invert(s,e);else{const t=this.max_size/2;s=i-t,e=i+t,[r,a]=this.renderer.xscale.r_invert(s,e)}}else{let s,i;if(r=t.x0,a=t.x1,this.use_radius&&"data"==this.model.properties.radius.units)s=e-this.max_radius,i=e+this.max_radius,[n,h]=this.renderer.yscale.r_invert(s,i);else{const t=this.max_size/2;s=e-t,i=e+t,[n,h]=this.renderer.yscale.r_invert(s,i)}}const d=[...this.index.indices({x0:r,x1:a,y0:n,y1:h})];return new m.Selection({indices:d})}_hit_rect(s){const{sx0:i,sx1:e,sy0:t,sy1:r}=s,[a,n]=this.renderer.xscale.r_invert(i,e),[h,d]=this.renderer.yscale.r_invert(t,r),l=[...this.index.indices({x0:a,x1:n,y0:h,y1:d})];return new m.Selection({indices:l})}_hit_poly(s){const{sx:i,sy:e}=s,t=(0,o.range)(0,this.sx.length),r=[];for(let s=0,a=t.length;s({angle:[u.AngleSpec,0],size:[u.ScreenSizeSpec,{value:4}],radius:[u.NullDistanceSpec,null],radius_dimension:[c.RadiusDimension,"x"],hit_dilation:[s,1]})))}, +function _(e,l,s,i,_){var p;i();const t=e(274);class a extends t.EllipseOvalView{}s.EllipseView=a,a.__name__="EllipseView";class n extends t.EllipseOval{constructor(e){super(e)}}s.Ellipse=n,p=n,n.__name__="Ellipse",p.prototype.default_view=a}, +function _(t,s,e,i,h){i();const n=t(1),r=t(275),a=(0,n.__importStar)(t(185)),l=t(24),_=t(72),o=(0,n.__importStar)(t(18));class d extends r.CenterRotatableView{_map_data(){"data"==this.model.properties.width.units?this.sw=this.sdist(this.renderer.xscale,this._x,this.width,"center"):this.sw=(0,l.to_screen)(this.width),"data"==this.model.properties.height.units?this.sh=this.sdist(this.renderer.yscale,this._y,this.height,"center"):this.sh=(0,l.to_screen)(this.height)}_render(t,s,e){const{sx:i,sy:h,sw:n,sh:r,angle:a}=null!=e?e:this;for(const e of s){const s=i[e],l=h[e],_=n[e],o=r[e],d=a.get(e);isFinite(s+l+_+o+d)&&(t.beginPath(),t.ellipse(s,l,_/2,o/2,d,0,2*Math.PI),this.visuals.fill.apply(t,e),this.visuals.hatch.apply(t,e),this.visuals.line.apply(t,e))}}_hit_point(t){let s,e,i,h,n,r,l,o,d;const{sx:c,sy:p}=t,w=this.renderer.xscale.invert(c),x=this.renderer.yscale.invert(p);"data"==this.model.properties.width.units?(s=w-this.max_width,e=w+this.max_width):(r=c-this.max_width,l=c+this.max_width,[s,e]=this.renderer.xscale.r_invert(r,l)),"data"==this.model.properties.height.units?(i=x-this.max_height,h=x+this.max_height):(o=p-this.max_height,d=p+this.max_height,[i,h]=this.renderer.yscale.r_invert(o,d));const m=this.index.indices({x0:s,x1:e,y0:i,y1:h}),y=[];for(const t of m)n=a.point_in_ellipse(c,p,this.angle.get(t),this.sh[t]/2,this.sw[t]/2,this.sx[t],this.sy[t]),n&&y.push(t);return new _.Selection({indices:y})}draw_legend_for_index(t,{x0:s,y0:e,x1:i,y1:h},n){const r=n+1,a=new Array(r);a[n]=(s+i)/2;const l=new Array(r);l[n]=(e+h)/2;const _=this.sw[n]/this.sh[n],d=.8*Math.min(Math.abs(i-s),Math.abs(h-e)),c=new Array(r),p=new Array(r);_>1?(c[n]=d,p[n]=d/_):(c[n]=d*_,p[n]=d);const w=new o.UniformScalar(0,r);this._render(t,[n],{sx:a,sy:l,sw:c,sh:p,angle:w})}}e.EllipseOvalView=d,d.__name__="EllipseOvalView";class c extends r.CenterRotatable{constructor(t){super(t)}}e.EllipseOval=c,c.__name__="EllipseOval"}, +function _(e,t,i,a,n){a();const s=e(1);var r;const h=e(178),o=e(48),_=(0,s.__importStar)(e(18));class c extends h.XYGlyphView{get max_w2(){return"data"==this.model.properties.width.units?this.max_width/2:0}get max_h2(){return"data"==this.model.properties.height.units?this.max_height/2:0}_bounds({x0:e,x1:t,y0:i,y1:a}){const{max_w2:n,max_h2:s}=this;return{x0:e-n,x1:t+n,y0:i-s,y1:a+s}}}i.CenterRotatableView=c,c.__name__="CenterRotatableView";class l extends h.XYGlyph{constructor(e){super(e)}}i.CenterRotatable=l,r=l,l.__name__="CenterRotatable",r.mixins([o.LineVector,o.FillVector,o.HatchVector]),r.define((({})=>({angle:[_.AngleSpec,0],width:[_.DistanceSpec,{field:"width"}],height:[_.DistanceSpec,{field:"height"}]})))}, +function _(t,e,s,i,h){i();const r=t(1);var a;const n=t(277),o=t(24),_=(0,r.__importStar)(t(18));class c extends n.BoxView{scenterxy(t){return[(this.sleft[t]+this.sright[t])/2,this.sy[t]]}_lrtb(t){const e=this._left[t],s=this._right[t],i=this._y[t],h=this.height.get(t)/2;return[Math.min(e,s),Math.max(e,s),i+h,i-h]}_map_data(){this.sy=this.renderer.yscale.v_compute(this._y),this.sh=this.sdist(this.renderer.yscale,this._y,this.height,"center"),this.sleft=this.renderer.xscale.v_compute(this._left),this.sright=this.renderer.xscale.v_compute(this._right);const t=this.sy.length;this.stop=new o.ScreenArray(t),this.sbottom=new o.ScreenArray(t);for(let e=0;e({left:[_.XCoordinateSpec,{value:0}],y:[_.YCoordinateSpec,{field:"y"}],height:[_.NumberSpec,{value:1}],right:[_.XCoordinateSpec,{field:"right"}]})))}, +function _(t,e,s,r,i){var n;r();const a=t(48),h=t(179),o=t(184),c=t(72);class _ extends h.GlyphView{get_anchor_point(t,e,s){const r=Math.min(this.sleft[e],this.sright[e]),i=Math.max(this.sright[e],this.sleft[e]),n=Math.min(this.stop[e],this.sbottom[e]),a=Math.max(this.sbottom[e],this.stop[e]);switch(t){case"top_left":return{x:r,y:n};case"top":case"top_center":return{x:(r+i)/2,y:n};case"top_right":return{x:i,y:n};case"bottom_left":return{x:r,y:a};case"bottom":case"bottom_center":return{x:(r+i)/2,y:a};case"bottom_right":return{x:i,y:a};case"left":case"center_left":return{x:r,y:(n+a)/2};case"center":case"center_center":return{x:(r+i)/2,y:(n+a)/2};case"right":case"center_right":return{x:i,y:(n+a)/2}}}_index_data(t){const{min:e,max:s}=Math,{data_size:r}=this;for(let i=0;i({r:[l.NumberSpec,{field:"r"}],q:[l.NumberSpec,{field:"q"}],scale:[l.NumberSpec,1],size:[e,1],aspect_scale:[e,1],orientation:[_.HexTileOrientation,"pointytop"]}))),a.override({line_color:null})}, +function _(e,a,t,_,r){var n;_();const s=e(280),o=e(173),i=e(201);class p extends s.ImageBaseView{connect_signals(){super.connect_signals(),this.connect(this.model.color_mapper.change,(()=>this._update_image()))}_update_image(){null!=this.image_data&&(this._set_data(null),this.renderer.request_render())}_flat_img_to_buf8(e){return this.model.color_mapper.rgba_mapper.v_compute(e)}}t.ImageView=p,p.__name__="ImageView";class m extends s.ImageBase{constructor(e){super(e)}}t.Image=m,n=m,m.__name__="Image",n.prototype.default_view=p,n.define((({Ref:e})=>({color_mapper:[e(o.ColorMapper),()=>new i.LinearColorMapper({palette:["#000000","#252525","#525252","#737373","#969696","#bdbdbd","#d9d9d9","#f0f0f0","#ffffff"]})]})))}, +function _(e,t,i,s,a){s();const h=e(1);var n;const r=e(178),_=e(24),d=(0,h.__importStar)(e(18)),l=e(72),g=e(9),o=e(29),c=e(11);class m extends r.XYGlyphView{connect_signals(){super.connect_signals(),this.connect(this.model.properties.global_alpha.change,(()=>this.renderer.request_render()))}_render(e,t,i){const{image_data:s,sx:a,sy:h,sw:n,sh:r,global_alpha:_}=null!=i?i:this,d=e.getImageSmoothingEnabled();e.setImageSmoothingEnabled(!1);const l=_.is_Scalar();l&&(e.globalAlpha=_.value);for(const i of t){const t=s[i],_=a[i],d=h[i],g=n[i],o=r[i],c=this.global_alpha.get(i);if(null==t||!isFinite(_+d+g+o+c))continue;l||(e.globalAlpha=c);const m=d;e.translate(0,m),e.scale(1,-1),e.translate(0,-m),e.drawImage(t,0|_,0|d,g,o),e.translate(0,m),e.scale(1,-1),e.translate(0,-m)}e.setImageSmoothingEnabled(d)}_set_data(e){this._set_width_heigh_data();for(let t=0,i=this.image.length;t({image:[d.NDArraySpec,{field:"image"}],dw:[d.DistanceSpec,{field:"dw"}],dh:[d.DistanceSpec,{field:"dh"}],global_alpha:[d.NumberSpec,{value:1}],dilate:[e,!1]})))}, +function _(e,a,t,r,_){var n;r();const s=e(280),m=e(8);class i extends s.ImageBaseView{_flat_img_to_buf8(e){let a;return a=(0,m.isArray)(e)?new Uint32Array(e):e,new Uint8ClampedArray(a.buffer)}}t.ImageRGBAView=i,i.__name__="ImageRGBAView";class g extends s.ImageBase{constructor(e){super(e)}}t.ImageRGBA=g,n=g,g.__name__="ImageRGBA",n.prototype.default_view=i}, +function _(e,t,s,r,a){r();const i=e(1);var n;const o=e(178),c=e(24),_=e(20),h=(0,i.__importStar)(e(18)),l=e(12),d=e(136);class m extends o.XYGlyphView{constructor(){super(...arguments),this._images_rendered=!1,this._set_data_iteration=0}connect_signals(){super.connect_signals(),this.connect(this.model.properties.global_alpha.change,(()=>this.renderer.request_render()))}_index_data(e){const{data_size:t}=this;for(let s=0;s{this._set_data_iteration==r&&(this.image[a]=e,this.renderer.request_render())},attempts:t+1,timeout:s})}const a="data"==this.model.properties.w.units,i="data"==this.model.properties.h.units,n=this._x.length,o=new c.ScreenArray(a?2*n:n),_=new c.ScreenArray(i?2*n:n),{anchor:h}=this.model;function m(e,t){switch(h){case"top_left":case"bottom_left":case"left":case"center_left":return[e,e+t];case"top":case"top_center":case"bottom":case"bottom_center":case"center":case"center_center":return[e-t/2,e+t/2];case"top_right":case"bottom_right":case"right":case"center_right":return[e-t,e]}}function g(e,t){switch(h){case"top_left":case"top":case"top_center":case"top_right":return[e,e-t];case"bottom_left":case"bottom":case"bottom_center":case"bottom_right":return[e+t,e];case"left":case"center_left":case"center":case"center_center":case"right":case"center_right":return[e+t/2,e-t/2]}}if(a)for(let e=0;e({url:[h.StringSpec,{field:"url"}],anchor:[_.Anchor,"top_left"],global_alpha:[h.NumberSpec,{value:1}],angle:[h.AngleSpec,0],w:[h.NullDistanceSpec,null],h:[h.NullDistanceSpec,null],dilate:[e,!1],retry_attempts:[t,0],retry_timeout:[t,0]})))}, +function _(e,t,s,i,n){i();const o=e(1);var r;const l=e(78),_=e(48),c=(0,o.__importStar)(e(185)),h=(0,o.__importStar)(e(18)),a=e(12),d=e(13),x=e(179),y=e(184),g=e(72);class p extends x.GlyphView{_project_data(){l.inplace.project_xy(this._xs.array,this._ys.array)}_index_data(e){const{data_size:t}=this;for(let s=0;s0&&o.set(e,s)}return new g.Selection({indices:[...o.keys()],multiline_indices:(0,d.to_object)(o)})}get_interpolation_hit(e,t,s){const i=this._xs.get(e),n=this._ys.get(e),o=i[t],r=n[t],l=i[t+1],_=n[t+1];return(0,y.line_interpolation)(this.renderer,s,o,r,l,_)}draw_legend_for_index(e,t,s){(0,y.generic_line_vector_legend)(this.visuals,e,t,s)}scenterxy(){throw new Error(`${this}.scenterxy() is not implemented`)}}s.MultiLineView=p,p.__name__="MultiLineView";class u extends x.Glyph{constructor(e){super(e)}}s.MultiLine=u,r=u,u.__name__="MultiLine",r.prototype.default_view=p,r.define((({})=>({xs:[h.XCoordinateSeqSpec,{field:"xs"}],ys:[h.YCoordinateSeqSpec,{field:"ys"}]}))),r.mixins(_.LineVector)}, +function _(t,e,s,n,i){n();const o=t(1);var r;const l=t(181),h=t(179),a=t(184),_=t(12),c=t(12),d=t(48),x=(0,o.__importStar)(t(185)),y=(0,o.__importStar)(t(18)),f=t(72),g=t(11);class p extends h.GlyphView{_project_data(){}_index_data(t){const{min:e,max:s}=Math,{data_size:n}=this;for(let i=0;i1&&c.length>1)for(let s=1,n=i.length;s1){let r=!1;for(let t=1;t({xs:[y.XCoordinateSeqSeqSeqSpec,{field:"xs"}],ys:[y.YCoordinateSeqSeqSeqSpec,{field:"ys"}]}))),r.mixins([d.LineVector,d.FillVector,d.HatchVector])}, +function _(a,e,l,s,_){var t;s();const i=a(274),n=a(12);class p extends i.EllipseOvalView{_map_data(){super._map_data(),(0,n.mul)(this.sw,.75)}}l.OvalView=p,p.__name__="OvalView";class v extends i.EllipseOval{constructor(a){super(a)}}l.Oval=v,t=v,v.__name__="Oval",t.prototype.default_view=p}, +function _(e,t,s,i,n){i();const r=e(1);var a;const o=e(179),c=e(184),_=e(12),h=e(48),l=(0,r.__importStar)(e(185)),d=(0,r.__importStar)(e(18)),y=e(72),p=e(11),x=e(78);class f extends o.GlyphView{_project_data(){x.inplace.project_xy(this._xs.array,this._ys.array)}_index_data(e){const{data_size:t}=this;for(let s=0;s({xs:[d.XCoordinateSeqSpec,{field:"xs"}],ys:[d.YCoordinateSeqSpec,{field:"ys"}]}))),a.mixins([h.LineVector,h.FillVector,h.HatchVector])}, +function _(t,e,o,i,s){i();const r=t(1);var n;const _=t(277),d=(0,r.__importStar)(t(18));class a extends _.BoxView{scenterxy(t){return[this.sleft[t]/2+this.sright[t]/2,this.stop[t]/2+this.sbottom[t]/2]}_lrtb(t){return[this._left[t],this._right[t],this._top[t],this._bottom[t]]}}o.QuadView=a,a.__name__="QuadView";class c extends _.Box{constructor(t){super(t)}}o.Quad=c,n=c,c.__name__="Quad",n.prototype.default_view=a,n.define((({})=>({right:[d.XCoordinateSpec,{field:"right"}],bottom:[d.YCoordinateSpec,{field:"bottom"}],left:[d.XCoordinateSpec,{field:"left"}],top:[d.YCoordinateSpec,{field:"top"}]})))}, +function _(e,t,i,n,s){n();const c=e(1);var o;const r=e(48),a=e(78),_=e(179),d=e(184),l=(0,c.__importStar)(e(18));function x(e,t,i){if(t==(e+i)/2)return[e,i];{const n=(e-t)/(e-2*t+i),s=e*(1-n)**2+2*t*(1-n)*n+i*n**2;return[Math.min(e,i,s),Math.max(e,i,s)]}}class y extends _.GlyphView{_project_data(){a.inplace.project_xy(this._x0,this._y0),a.inplace.project_xy(this._x1,this._y1)}_index_data(e){const{_x0:t,_x1:i,_y0:n,_y1:s,_cx:c,_cy:o,data_size:r}=this;for(let a=0;a({x0:[l.XCoordinateSpec,{field:"x0"}],y0:[l.YCoordinateSpec,{field:"y0"}],x1:[l.XCoordinateSpec,{field:"x1"}],y1:[l.YCoordinateSpec,{field:"y1"}],cx:[l.XCoordinateSpec,{field:"cx"}],cy:[l.YCoordinateSpec,{field:"cy"}]}))),o.mixins(r.LineVector)}, +function _(e,t,s,i,n){i();const l=e(1);var a;const r=e(178),o=e(184),h=e(48),_=e(24),c=(0,l.__importStar)(e(18));class g extends r.XYGlyphView{_map_data(){"data"==this.model.properties.length.units?this.slength=this.sdist(this.renderer.xscale,this._x,this.length):this.slength=(0,_.to_screen)(this.length);const{width:e,height:t}=this.renderer.plot_view.frame.bbox,s=2*(e+t),{slength:i}=this;for(let e=0,t=i.length;e({length:[c.DistanceSpec,0],angle:[c.AngleSpec,0]})))}, +function _(t,e,s,i,r){var n,h=this&&this.__createBinding||(Object.create?function(t,e,s,i){void 0===i&&(i=s),Object.defineProperty(t,i,{enumerable:!0,get:function(){return e[s]}})}:function(t,e,s,i){void 0===i&&(i=s),t[i]=e[s]}),a=this&&this.__setModuleDefault||(Object.create?function(t,e){Object.defineProperty(t,"default",{enumerable:!0,value:e})}:function(t,e){t.default=e}),l=this&&this.__importStar||function(t){if(t&&t.__esModule)return t;var e={};if(null!=t)for(var s in t)"default"!==s&&Object.prototype.hasOwnProperty.call(t,s)&&h(e,t,s);return a(e,t),e};i();const o=t(275),c=t(184),_=t(24),d=t(12),f=t(72);class y extends o.CenterRotatableView{async lazy_initialize(){await super.lazy_initialize();const{webgl:e}=this.renderer.plot_view.canvas_view;if(null==e?void 0:e.regl_wrapper.has_webgl){const{RectGL:s}=await Promise.resolve().then((()=>l(t(425))));this.glglyph=new s(e.regl_wrapper,this)}}_map_data(){if("data"==this.model.properties.width.units)[this.sw,this.sx0]=this._map_dist_corner_for_data_side_length(this._x,this.width,this.renderer.xscale);else{this.sw=(0,_.to_screen)(this.width);const t=this.sx.length;this.sx0=new _.ScreenArray(t);for(let e=0;e({dilate:[t,!1]})))}, +function _(e,t,s,r,i){r();const a=e(1);var n;const l=e(292),_=e(293),c=(0,a.__importStar)(e(18));class o extends l.MarkerView{async lazy_initialize(){await super.lazy_initialize();const{webgl:t}=this.renderer.plot_view.canvas_view;if(null==t?void 0:t.regl_wrapper.has_webgl){const{MarkerGL:t}=await Promise.resolve().then((()=>(0,a.__importStar)(e(426))));this.glcls=t}}_init_webgl(){const{webgl:e}=this.renderer.plot_view.canvas_view;if(null!=e){const{regl_wrapper:t}=e;if(t.has_webgl){const e=new Set(null!=this.base?this.base.marker:this.marker);if(1==e.size){const[s]=[...e],r=this.glcls;if(null==r?void 0:r.is_supported(s)){const{glglyph:e}=this;if(null==e||e.marker_type!=s)return void(this.glglyph=new r(t,this,s))}}}}delete this.glglyph}_set_visuals(){this._init_webgl()}_render(e,t,s){const{sx:r,sy:i,size:a,angle:n,marker:l}=null!=s?s:this;for(const s of t){const t=r[s],c=i[s],o=a.get(s),g=n.get(s),h=l.get(s);if(!isFinite(t+c+o+g)||null==h)continue;const w=o/2;e.beginPath(),e.translate(t,c),g&&e.rotate(g),_.marker_funcs[h](e,s,w,this.visuals),g&&e.rotate(-g),e.translate(-t,-c)}}draw_legend_for_index(e,{x0:t,x1:s,y0:r,y1:i},a){const n=a+1,l=this.marker.get(a),_=Object.assign(Object.assign({},this._get_legend_args({x0:t,x1:s,y0:r,y1:i},a)),{marker:new c.UniformScalar(l,n)});this._render(e,[a],_)}}s.ScatterView=o,o.__name__="ScatterView";class g extends l.Marker{constructor(e){super(e)}}s.Scatter=g,n=g,g.__name__="Scatter",n.prototype.default_view=o,n.define((()=>({marker:[c.MarkerSpec,{value:"circle"}]})))}, +function _(e,t,s,n,i){n();const r=e(1);var a;const c=e(178),o=e(48),_=(0,r.__importStar)(e(185)),h=(0,r.__importStar)(e(18)),l=e(9),x=e(72);class d extends c.XYGlyphView{_render(e,t,s){const{sx:n,sy:i,size:r,angle:a}=null!=s?s:this;for(const s of t){const t=n[s],c=i[s],o=r.get(s),_=a.get(s);if(!isFinite(t+c+o+_))continue;const h=o/2;e.beginPath(),e.translate(t,c),_&&e.rotate(_),this._render_one(e,s,h,this.visuals),_&&e.rotate(-_),e.translate(-t,-c)}}_mask_data(){const{x_target:e,y_target:t}=this.renderer.plot_view.frame,s=e.widen(this.max_size).map((e=>this.renderer.xscale.invert(e))),n=t.widen(this.max_size).map((e=>this.renderer.yscale.invert(e)));return this.index.indices({x0:s.start,x1:s.end,y0:n.start,y1:n.end})}_hit_point(e){const{sx:t,sy:s}=e,{max_size:n}=this,{hit_dilation:i}=this.model,r=t-n*i,a=t+n*i,[c,o]=this.renderer.xscale.r_invert(r,a),_=s-n*i,h=s+n*i,[l,d]=this.renderer.yscale.r_invert(_,h),y=this.index.indices({x0:c,x1:o,y0:l,y1:d}),g=[];for(const e of y){const n=this.size.get(e)/2*i;Math.abs(this.sx[e]-t)<=n&&Math.abs(this.sy[e]-s)<=n&&g.push(e)}return new x.Selection({indices:g})}_hit_span(e){const{sx:t,sy:s}=e,n=this.bounds(),i=this.max_size/2;let r,a,c,o;if("h"==e.direction){c=n.y0,o=n.y1;const e=t-i,s=t+i;[r,a]=this.renderer.xscale.r_invert(e,s)}else{r=n.x0,a=n.x1;const e=s-i,t=s+i;[c,o]=this.renderer.yscale.r_invert(e,t)}const _=[...this.index.indices({x0:r,x1:a,y0:c,y1:o})];return new x.Selection({indices:_})}_hit_rect(e){const{sx0:t,sx1:s,sy0:n,sy1:i}=e,[r,a]=this.renderer.xscale.r_invert(t,s),[c,o]=this.renderer.yscale.r_invert(n,i),_=[...this.index.indices({x0:r,x1:a,y0:c,y1:o})];return new x.Selection({indices:_})}_hit_poly(e){const{sx:t,sy:s}=e,n=(0,l.range)(0,this.sx.length),i=[];for(let e=0,r=n.length;e({size:[h.ScreenSizeSpec,{value:4}],angle:[h.AngleSpec,0],hit_dilation:[e,1]})))}, +function _(l,o,n,t,i){t();const e=Math.sqrt(3),a=Math.sqrt(5),c=(a+1)/4,p=Math.sqrt((5-a)/8),r=(a-1)/4,h=Math.sqrt((5+a)/8);function u(l,o){l.rotate(Math.PI/4),s(l,o),l.rotate(-Math.PI/4)}function f(l,o){const n=o*e,t=n/3;l.moveTo(-n/2,-t),l.lineTo(0,0),l.lineTo(n/2,-t),l.lineTo(0,0),l.lineTo(0,o)}function s(l,o){l.moveTo(0,o),l.lineTo(0,-o),l.moveTo(-o,0),l.lineTo(o,0)}function T(l,o){l.moveTo(0,o),l.lineTo(o/1.5,0),l.lineTo(0,-o),l.lineTo(-o/1.5,0),l.closePath()}function y(l,o){const n=o*e,t=n/3;l.moveTo(-o,t),l.lineTo(o,t),l.lineTo(0,t-n),l.closePath()}function v(l,o,n,t){l.arc(0,0,n,0,2*Math.PI,!1),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.apply(l,o)}function d(l,o,n,t){T(l,n),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.apply(l,o)}function _(l,o,n,t){!function(l,o){l.beginPath(),l.arc(0,0,o/4,0,2*Math.PI,!1),l.closePath()}(l,n),t.line.set_vectorize(l,o),l.fillStyle=l.strokeStyle,l.fill()}function P(l,o,n,t){!function(l,o){const n=o/2,t=e*n;l.moveTo(o,0),l.lineTo(n,-t),l.lineTo(-n,-t),l.lineTo(-o,0),l.lineTo(-n,t),l.lineTo(n,t),l.closePath()}(l,n),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.apply(l,o)}function m(l,o,n,t){const i=2*n;l.rect(-n,-n,i,i),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.apply(l,o)}function q(l,o,n,t){!function(l,o){const n=Math.sqrt(5-2*a)*o;l.moveTo(0,-o),l.lineTo(n*r,n*h-o),l.lineTo(n*(1+r),n*h-o),l.lineTo(n*(1+r-c),n*(h+p)-o),l.lineTo(n*(1+2*r-c),n*(2*h+p)-o),l.lineTo(0,2*n*h-o),l.lineTo(-n*(1+2*r-c),n*(2*h+p)-o),l.lineTo(-n*(1+r-c),n*(h+p)-o),l.lineTo(-n*(1+r),n*h-o),l.lineTo(-n*r,n*h-o),l.closePath()}(l,n),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.apply(l,o)}function M(l,o,n,t){y(l,n),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.apply(l,o)}n.marker_funcs={asterisk:function(l,o,n,t){s(l,n),u(l,n),t.line.apply(l,o)},circle:v,circle_cross:function(l,o,n,t){l.arc(0,0,n,0,2*Math.PI,!1),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.doit&&(t.line.set_vectorize(l,o),s(l,n),l.stroke())},circle_dot:function(l,o,n,t){v(l,o,n,t),_(l,o,n,t)},circle_y:function(l,o,n,t){l.arc(0,0,n,0,2*Math.PI,!1),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.doit&&(t.line.set_vectorize(l,o),f(l,n),l.stroke())},circle_x:function(l,o,n,t){l.arc(0,0,n,0,2*Math.PI,!1),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.doit&&(t.line.set_vectorize(l,o),u(l,n),l.stroke())},cross:function(l,o,n,t){s(l,n),t.line.apply(l,o)},diamond:d,diamond_dot:function(l,o,n,t){d(l,o,n,t),_(l,o,n,t)},diamond_cross:function(l,o,n,t){T(l,n),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.doit&&(t.line.set_vectorize(l,o),l.moveTo(0,n),l.lineTo(0,-n),l.moveTo(-n/1.5,0),l.lineTo(n/1.5,0),l.stroke())},dot:_,hex:P,hex_dot:function(l,o,n,t){P(l,o,n,t),_(l,o,n,t)},inverted_triangle:function(l,o,n,t){l.rotate(Math.PI),y(l,n),l.rotate(-Math.PI),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.apply(l,o)},plus:function(l,o,n,t){const i=3*n/8,e=[i,i,n,n,i,i,-i,-i,-n,-n,-i,-i],a=[n,i,i,-i,-i,-n,-n,-i,-i,i,i,n];l.beginPath();for(let o=0;o<12;o++)l.lineTo(e[o],a[o]);l.closePath(),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.apply(l,o)},square:m,square_cross:function(l,o,n,t){const i=2*n;l.rect(-n,-n,i,i),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.doit&&(t.line.set_vectorize(l,o),s(l,n),l.stroke())},square_dot:function(l,o,n,t){m(l,o,n,t),_(l,o,n,t)},square_pin:function(l,o,n,t){const i=3*n/8;l.moveTo(-n,-n),l.quadraticCurveTo(0,-i,n,-n),l.quadraticCurveTo(i,0,n,n),l.quadraticCurveTo(0,i,-n,n),l.quadraticCurveTo(-i,0,-n,-n),l.closePath(),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.apply(l,o)},square_x:function(l,o,n,t){const i=2*n;l.rect(-n,-n,i,i),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.doit&&(t.line.set_vectorize(l,o),l.moveTo(-n,n),l.lineTo(n,-n),l.moveTo(-n,-n),l.lineTo(n,n),l.stroke())},star:q,star_dot:function(l,o,n,t){q(l,o,n,t),_(l,o,n,t)},triangle:M,triangle_dot:function(l,o,n,t){M(l,o,n,t),_(l,o,n,t)},triangle_pin:function(l,o,n,t){const i=n*e,a=i/3,c=3*a/8;l.moveTo(-n,a),l.quadraticCurveTo(0,c,n,a),l.quadraticCurveTo(e*c/2,c/2,0,a-i),l.quadraticCurveTo(-e*c/2,c/2,-n,a),l.closePath(),t.fill.apply(l,o),t.hatch.apply(l,o),t.line.apply(l,o)},dash:function(l,o,n,t){!function(l,o){l.moveTo(-o,0),l.lineTo(o,0)}(l,n),t.line.apply(l,o)},x:function(l,o,n,t){u(l,n),t.line.apply(l,o)},y:function(l,o,n,t){f(l,n),t.line.apply(l,o)}}}, +function _(e,t,s,i,n){i();const r=e(1);var o;const _=(0,r.__importStar)(e(185)),h=(0,r.__importStar)(e(18)),c=e(48),a=e(78),d=e(179),x=e(184),l=e(72);class y extends d.GlyphView{_project_data(){a.inplace.project_xy(this._x0,this._y0),a.inplace.project_xy(this._x1,this._y1)}_index_data(e){const{min:t,max:s}=Math,{_x0:i,_x1:n,_y0:r,_y1:o,data_size:_}=this;for(let h=0;h<_;h++){const _=i[h],c=n[h],a=r[h],d=o[h];e.add_rect(t(_,c),t(a,d),s(_,c),s(a,d))}}_render(e,t,s){if(this.visuals.line.doit){const{sx0:i,sy0:n,sx1:r,sy1:o}=null!=s?s:this;for(const s of t){const t=i[s],_=n[s],h=r[s],c=o[s];isFinite(t+_+h+c)&&(e.beginPath(),e.moveTo(t,_),e.lineTo(h,c),this.visuals.line.set_vectorize(e,s),e.stroke())}}}_hit_point(e){const{sx:t,sy:s}=e,i={x:t,y:s},[n,r]=this.renderer.xscale.r_invert(t-2,t+2),[o,h]=this.renderer.yscale.r_invert(s-2,s+2),c=this.index.indices({x0:n,y0:o,x1:r,y1:h}),a=[];for(const e of c){const t=Math.max(2,this.line_width.get(e)/2)**2,s={x:this.sx0[e],y:this.sy0[e]},n={x:this.sx1[e],y:this.sy1[e]};_.dist_to_segment_squared(i,s,n)({x0:[h.XCoordinateSpec,{field:"x0"}],y0:[h.YCoordinateSpec,{field:"y0"}],x1:[h.XCoordinateSpec,{field:"x1"}],y1:[h.YCoordinateSpec,{field:"y1"}]}))),o.mixins(c.LineVector)}, +function _(t,e,s,i,n){i();const o=t(1);var _;const l=t(178),a=(0,o.__importStar)(t(48)),c=t(296);class r extends l.XYGlyphView{_set_data(){const{tension:t,closed:e}=this.model;[this._xt,this._yt]=(0,c.catmullrom_spline)(this._x,this._y,20,t,e)}_map_data(){const{x_scale:t,y_scale:e}=this.renderer.coordinates;this.sxt=t.v_compute(this._xt),this.syt=e.v_compute(this._yt)}_render(t,e,s){const{sxt:i,syt:n}=null!=s?s:this;let o=!0;t.beginPath();const _=i.length;for(let e=0;e<_;e++){const s=i[e],_=n[e];isFinite(s+_)?o?(t.moveTo(s,_),o=!1):t.lineTo(s,_):o=!0}this.visuals.line.set_value(t),t.stroke()}}s.SplineView=r,r.__name__="SplineView";class h extends l.XYGlyph{constructor(t){super(t)}}s.Spline=h,_=h,h.__name__="Spline",_.prototype.default_view=r,_.mixins(a.LineScalar),_.define((({Boolean:t,Number:e})=>({tension:[e,.5],closed:[t,!1]})))}, +function _(n,t,e,o,s){o();const c=n(24),l=n(11);e.catmullrom_spline=function(n,t,e=10,o=.5,s=!1){(0,l.assert)(n.length==t.length);const r=n.length,f=s?r+1:r,w=(0,c.infer_type)(n,t),i=new w(f+2),u=new w(f+2);i.set(n,1),u.set(t,1),s?(i[0]=n[r-1],u[0]=t[r-1],i[f]=n[0],u[f]=t[0],i[f+1]=n[1],u[f+1]=t[1]):(i[0]=n[0],u[0]=t[0],i[f+1]=n[r-1],u[f+1]=t[r-1]);const g=new w(4*(e+1));for(let n=0,t=0;n<=e;n++){const o=n/e,s=o**2,c=o*s;g[t++]=2*c-3*s+1,g[t++]=-2*c+3*s,g[t++]=c-2*s+o,g[t++]=c-s}const h=new w((f-1)*(e+1)),_=new w((f-1)*(e+1));for(let n=1,t=0;n1&&(e.stroke(),o=!1)}o?(e.lineTo(t,r),e.lineTo(a,c)):(e.beginPath(),e.moveTo(s[n],i[n]),o=!0),l=n}e.lineTo(s[a-1],i[a-1]),e.stroke()}}draw_legend_for_index(e,t,n){(0,r.generic_line_scalar_legend)(this.visuals,e,t)}}n.StepView=f,f.__name__="StepView";class u extends a.XYGlyph{constructor(e){super(e)}}n.Step=u,l=u,u.__name__="Step",l.prototype.default_view=f,l.mixins(c.LineScalar),l.define((()=>({mode:[_.StepMode,"before"]})))}, +function _(t,e,s,i,n){i();const o=t(1);var _;const h=t(178),l=t(48),r=(0,o.__importStar)(t(185)),a=(0,o.__importStar)(t(18)),c=t(121),x=t(11),u=t(72);class f extends h.XYGlyphView{_rotate_point(t,e,s,i,n){return[(t-s)*Math.cos(n)-(e-i)*Math.sin(n)+s,(t-s)*Math.sin(n)+(e-i)*Math.cos(n)+i]}_text_bounds(t,e,s,i){return[[t,t+s,t+s,t,t],[e,e,e-i,e-i,e]]}_render(t,e,s){const{sx:i,sy:n,x_offset:o,y_offset:_,angle:h,text:l}=null!=s?s:this;this._sys=[],this._sxs=[];for(const s of e){const e=this._sxs[s]=[],r=this._sys[s]=[],a=i[s],x=n[s],u=o.get(s),f=_.get(s),p=h.get(s),g=l.get(s);if(isFinite(a+x+u+f+p)&&null!=g&&this.visuals.text.doit){const i=`${g}`;t.save(),t.translate(a+u,x+f),t.rotate(p),this.visuals.text.set_vectorize(t,s);const n=this.visuals.text.font_value(s),{height:o}=(0,c.font_metrics)(n),_=this.text_line_height.get(s)*o;if(-1==i.indexOf("\n")){t.fillText(i,0,0);const s=a+u,n=x+f,o=t.measureText(i).width,[h,l]=this._text_bounds(s,n,o,_);e.push(h),r.push(l)}else{const n=i.split("\n"),o=_*n.length,h=this.text_baseline.get(s);let l;switch(h){case"top":l=0;break;case"middle":l=-o/2+_/2;break;case"bottom":l=-o+_;break;default:l=0,console.warn(`'${h}' baseline not supported with multi line text`)}for(const s of n){t.fillText(s,0,l);const i=a+u,n=l+x+f,o=t.measureText(s).width,[h,c]=this._text_bounds(i,n,o,_);e.push(h),r.push(c),l+=_}}t.restore()}}}_hit_point(t){const{sx:e,sy:s}=t,i=[];for(let t=0;t({text:[a.NullStringSpec,{field:"text"}],angle:[a.AngleSpec,0],x_offset:[a.NumberSpec,0],y_offset:[a.NumberSpec,0]})))}, +function _(t,s,e,i,r){i();const h=t(1);var o;const a=t(277),n=t(24),_=(0,h.__importStar)(t(18));class c extends a.BoxView{scenterxy(t){return[this.sx[t],(this.stop[t]+this.sbottom[t])/2]}_lrtb(t){const s=this.width.get(t)/2,e=this._x[t],i=this._top[t],r=this._bottom[t];return[e-s,e+s,Math.max(i,r),Math.min(i,r)]}_map_data(){this.sx=this.renderer.xscale.v_compute(this._x),this.sw=this.sdist(this.renderer.xscale,this._x,this.width,"center"),this.stop=this.renderer.yscale.v_compute(this._top),this.sbottom=this.renderer.yscale.v_compute(this._bottom);const t=this.sx.length;this.sleft=new n.ScreenArray(t),this.sright=new n.ScreenArray(t);for(let s=0;s({x:[_.XCoordinateSpec,{field:"x"}],bottom:[_.YCoordinateSpec,{value:0}],width:[_.NumberSpec,{value:1}],top:[_.YCoordinateSpec,{field:"top"}]})))}, +function _(e,s,t,i,n){i();const r=e(1);var a;const c=e(178),l=e(184),d=e(48),o=e(24),h=e(20),_=(0,r.__importStar)(e(18)),u=e(10),g=e(72);class p extends c.XYGlyphView{_map_data(){"data"==this.model.properties.radius.units?this.sradius=this.sdist(this.renderer.xscale,this._x,this.radius):this.sradius=(0,o.to_screen)(this.radius)}_render(e,s,t){const{sx:i,sy:n,sradius:r,start_angle:a,end_angle:c}=null!=t?t:this,l="anticlock"==this.model.direction;for(const t of s){const s=i[t],d=n[t],o=r[t],h=a.get(t),_=c.get(t);isFinite(s+d+o+h+_)&&(e.beginPath(),e.arc(s,d,o,h,_,l),e.lineTo(s,d),e.closePath(),this.visuals.fill.apply(e,t),this.visuals.hatch.apply(e,t),this.visuals.line.apply(e,t))}}_hit_point(e){let s,t,i,n,r,a,c,l,d;const{sx:o,sy:h}=e,_=this.renderer.xscale.invert(o),p=this.renderer.yscale.invert(h),x=2*this.max_radius;"data"===this.model.properties.radius.units?(a=_-x,c=_+x,l=p-x,d=p+x):(t=o-x,i=o+x,[a,c]=this.renderer.xscale.r_invert(t,i),n=h-x,r=h+x,[l,d]=this.renderer.yscale.r_invert(n,r));const y=[];for(const e of this.index.indices({x0:a,x1:c,y0:l,y1:d})){const a=this.sradius[e]**2;[t,i]=this.renderer.xscale.r_compute(_,this._x[e]),[n,r]=this.renderer.yscale.r_compute(p,this._y[e]),s=(t-i)**2+(n-r)**2,s<=a&&y.push(e)}const f="anticlock"==this.model.direction,m=[];for(const e of y){const s=Math.atan2(h-this.sy[e],o-this.sx[e]);(0,u.angle_between)(-s,-this.start_angle.get(e),-this.end_angle.get(e),f)&&m.push(e)}return new g.Selection({indices:m})}draw_legend_for_index(e,s,t){(0,l.generic_area_vector_legend)(this.visuals,e,s,t)}scenterxy(e){const s=this.sradius[e]/2,t=(this.start_angle.get(e)+this.end_angle.get(e))/2;return[this.sx[e]+s*Math.cos(t),this.sy[e]+s*Math.sin(t)]}}t.WedgeView=p,p.__name__="WedgeView";class x extends c.XYGlyph{constructor(e){super(e)}}t.Wedge=x,a=x,x.__name__="Wedge",a.prototype.default_view=p,a.mixins([d.LineVector,d.FillVector,d.HatchVector]),a.define((({})=>({direction:[h.Direction,"anticlock"],radius:[_.DistanceSpec,{field:"radius"}],start_angle:[_.AngleSpec,{field:"start_angle"}],end_angle:[_.AngleSpec,{field:"end_angle"}]})))}, +function _(t,_,r,o,a){o();const e=t(1);(0,e.__exportStar)(t(302),r),(0,e.__exportStar)(t(303),r),(0,e.__exportStar)(t(304),r)}, +function _(e,t,d,n,s){n();const o=e(53),r=e(12),_=e(9),i=e(72);class c extends o.Model{constructor(e){super(e)}_hit_test(e,t,d){if(!t.model.visible)return null;const n=d.glyph.hit_test(e);return null==n?null:d.model.view.convert_selection_from_subset(n)}}d.GraphHitTestPolicy=c,c.__name__="GraphHitTestPolicy";class a extends c{constructor(e){super(e)}hit_test(e,t){return this._hit_test(e,t,t.edge_view)}do_selection(e,t,d,n){if(null==e)return!1;const s=t.edge_renderer.data_source.selected;return s.update(e,d,n),t.edge_renderer.data_source._select.emit(),!s.is_empty()}do_inspection(e,t,d,n,s){if(null==e)return!1;const{edge_renderer:o}=d.model,r=o.get_selection_manager().get_or_create_inspector(d.edge_view.model);return r.update(e,n,s),d.edge_view.model.data_source.setv({inspected:r},{silent:!0}),d.edge_view.model.data_source.inspect.emit([d.edge_view.model,{geometry:t}]),!r.is_empty()}}d.EdgesOnly=a,a.__name__="EdgesOnly";class l extends c{constructor(e){super(e)}hit_test(e,t){return this._hit_test(e,t,t.node_view)}do_selection(e,t,d,n){if(null==e)return!1;const s=t.node_renderer.data_source.selected;return s.update(e,d,n),t.node_renderer.data_source._select.emit(),!s.is_empty()}do_inspection(e,t,d,n,s){if(null==e)return!1;const{node_renderer:o}=d.model,r=o.get_selection_manager().get_or_create_inspector(d.node_view.model);return r.update(e,n,s),d.node_view.model.data_source.setv({inspected:r},{silent:!0}),d.node_view.model.data_source.inspect.emit([d.node_view.model,{geometry:t}]),!r.is_empty()}}d.NodesOnly=l,l.__name__="NodesOnly";class u extends c{constructor(e){super(e)}hit_test(e,t){return this._hit_test(e,t,t.node_view)}get_linked_edges(e,t,d){let n=[];"selection"==d?n=e.selected.indices.map((t=>e.data.index[t])):"inspection"==d&&(n=e.inspected.indices.map((t=>e.data.index[t])));const s=[];for(let e=0;e(0,r.indexOf)(e.data.index,t)));return new i.Selection({indices:o})}do_selection(e,t,d,n){if(null==e)return!1;const s=t.edge_renderer.data_source.selected;s.update(e,d,n);const o=t.node_renderer.data_source.selected,r=this.get_linked_nodes(t.node_renderer.data_source,t.edge_renderer.data_source,"selection");return o.update(r,d,n),t.edge_renderer.data_source._select.emit(),!s.is_empty()}do_inspection(e,t,d,n,s){if(null==e)return!1;const o=d.edge_view.model.data_source.selection_manager.get_or_create_inspector(d.edge_view.model);o.update(e,n,s),d.edge_view.model.data_source.setv({inspected:o},{silent:!0});const r=d.node_view.model.data_source.selection_manager.get_or_create_inspector(d.node_view.model),_=this.get_linked_nodes(d.node_view.model.data_source,d.edge_view.model.data_source,"inspection");return r.update(_,n,s),d.node_view.model.data_source.setv({inspected:r},{silent:!0}),d.edge_view.model.data_source.inspect.emit([d.edge_view.model,{geometry:t}]),!o.is_empty()}}d.EdgesAndLinkedNodes=m,m.__name__="EdgesAndLinkedNodes"}, +function _(e,o,t,r,n){var s;r();const a=e(53),d=e(260);class _ extends a.Model{constructor(e){super(e)}get node_coordinates(){return new u({layout:this})}get edge_coordinates(){return new i({layout:this})}}t.LayoutProvider=_,_.__name__="LayoutProvider";class c extends d.CoordinateTransform{constructor(e){super(e)}}t.GraphCoordinates=c,s=c,c.__name__="GraphCoordinates",s.define((({Ref:e})=>({layout:[e(_)]})));class u extends c{constructor(e){super(e)}_v_compute(e){const[o,t]=this.layout.get_node_coordinates(e);return{x:o,y:t}}}t.NodeCoordinates=u,u.__name__="NodeCoordinates";class i extends c{constructor(e){super(e)}_v_compute(e){const[o,t]=this.layout.get_edge_coordinates(e);return{x:o,y:t}}}t.EdgeCoordinates=i,i.__name__="EdgeCoordinates"}, +function _(t,a,l,e,n){var o;e();const r=t(303);class u extends r.LayoutProvider{constructor(t){super(t)}get_node_coordinates(t){var a;const l=null!==(a=t.data.index)&&void 0!==a?a:[],e=l.length,n=new Float64Array(e),o=new Float64Array(e);for(let t=0;t({graph_layout:[l(a(t,t)),{}]})))}, +function _(i,d,n,r,G){r(),G("Grid",i(306).Grid)}, +function _(i,e,n,s,t){s();const r=i(1);var o;const d=i(127),_=i(129),a=i(130),l=(0,r.__importStar)(i(48)),h=i(8);class c extends _.GuideRendererView{_render(){const i=this.layer.ctx;i.save(),this._draw_regions(i),this._draw_minor_grids(i),this._draw_grids(i),i.restore()}connect_signals(){super.connect_signals(),this.connect(this.model.change,(()=>this.request_render()))}_draw_regions(i){if(!this.visuals.band_fill.doit&&!this.visuals.band_hatch.doit)return;const[e,n]=this.grid_coords("major",!1);for(let s=0;sn[1]&&(t=n[1]);else{[s,t]=n;for(const i of this.plot_view.axis_views)i.dimension==this.model.dimension&&i.model.x_range_name==this.model.x_range_name&&i.model.y_range_name==this.model.y_range_name&&([s,t]=i.computed_bounds)}return[s,t]}grid_coords(i,e=!0){const n=this.model.dimension,s=(n+1)%2,[t,r]=this.ranges();let[o,d]=this.computed_bounds();[o,d]=[Math.min(o,d),Math.max(o,d)];const _=[[],[]],a=this.model.get_ticker();if(null==a)return _;const l=a.get_ticks(o,d,t,r.min)[i],h=t.min,c=t.max,u=r.min,m=r.max;e||(l[0]!=h&&l.splice(0,0,h),l[l.length-1]!=c&&l.push(c));for(let i=0;i({bounds:[r(t(i,i),e),"auto"],dimension:[n(0,1),0],axis:[o(s(d.Axis)),null],ticker:[o(s(a.Ticker)),null]}))),o.override({level:"underlay",band_fill_color:null,band_fill_alpha:0,grid_line_color:"#e5e5e5",minor_grid_line_color:null})}, +function _(o,a,x,B,e){B(),e("Box",o(308).Box),e("Column",o(310).Column),e("GridBox",o(311).GridBox),e("HTMLBox",o(312).HTMLBox),e("LayoutDOM",o(309).LayoutDOM),e("Panel",o(313).Panel),e("Row",o(314).Row),e("Spacer",o(315).Spacer),e("Tabs",o(316).Tabs),e("WidgetBox",o(319).WidgetBox)}, +function _(e,n,s,t,c){var i;t();const o=e(309);class r extends o.LayoutDOMView{connect_signals(){super.connect_signals(),this.connect(this.model.properties.children.change,(()=>this.rebuild()))}get child_models(){return this.model.children}}s.BoxView=r,r.__name__="BoxView";class a extends o.LayoutDOM{constructor(e){super(e)}}s.Box=a,i=a,a.__name__="Box",i.define((({Number:e,Array:n,Ref:s})=>({children:[n(s(o.LayoutDOM)),[]],spacing:[e,0]})))}, +function _(t,i,e,s,o){var l;s();const n=t(53),h=t(20),a=t(43),r=t(19),_=t(8),c=t(22),u=t(121),d=t(113),p=t(226),m=t(207),g=t(44),w=t(235);class f extends p.DOMView{constructor(){super(...arguments),this._offset_parent=null,this._viewport={}}get is_layout_root(){return this.is_root||!(this.parent instanceof f)}get base_font_size(){const t=getComputedStyle(this.el).fontSize,i=(0,u.parse_css_font_size)(t);if(null!=i){const{value:t,unit:e}=i;if("px"==e)return t}return null}initialize(){super.initialize(),this.el.style.position=this.is_layout_root?"relative":"absolute",this._child_views=new Map}async lazy_initialize(){await super.lazy_initialize(),await this.build_child_views()}remove(){for(const t of this.child_views)t.remove();this._child_views.clear(),super.remove()}connect_signals(){super.connect_signals(),this.is_layout_root&&(this._on_resize=()=>this.resize_layout(),window.addEventListener("resize",this._on_resize),this._parent_observer=setInterval((()=>{const t=this.el.offsetParent;this._offset_parent!=t&&(this._offset_parent=t,null!=t&&(this.compute_viewport(),this.invalidate_layout()))}),250));const t=this.model.properties;this.on_change([t.width,t.height,t.min_width,t.min_height,t.max_width,t.max_height,t.margin,t.width_policy,t.height_policy,t.sizing_mode,t.aspect_ratio,t.visible],(()=>this.invalidate_layout())),this.on_change([t.background,t.css_classes],(()=>this.invalidate_render()))}disconnect_signals(){null!=this._parent_observer&&clearTimeout(this._parent_observer),null!=this._on_resize&&window.removeEventListener("resize",this._on_resize),super.disconnect_signals()}css_classes(){return super.css_classes().concat(this.model.css_classes)}get child_views(){return this.child_models.map((t=>this._child_views.get(t)))}async build_child_views(){await(0,d.build_views)(this._child_views,this.child_models,{parent:this})}render(){super.render(),(0,a.empty)(this.el);const{background:t}=this.model;this.el.style.backgroundColor=null!=t?(0,c.color2css)(t):"",(0,a.classes)(this.el).clear().add(...this.css_classes());for(const t of this.child_views)this.el.appendChild(t.el),t.render()}update_layout(){for(const t of this.child_views)t.update_layout();this._update_layout()}update_position(){this.el.style.display=this.model.visible?"block":"none";const t=this.is_layout_root?this.layout.sizing.margin:void 0;(0,a.position)(this.el,this.layout.bbox,t);for(const t of this.child_views)t.update_position()}after_layout(){for(const t of this.child_views)t.after_layout();this._has_finished=!0}compute_viewport(){this._viewport=this._viewport_size()}renderTo(t){t.appendChild(this.el),this._offset_parent=this.el.offsetParent,this.compute_viewport(),this.build(),this.notify_finished()}build(){if(!this.is_layout_root)throw new Error(`${this.toString()} is not a root layout`);return this.render(),this.update_layout(),this.compute_layout(),this}async rebuild(){await this.build_child_views(),this.invalidate_render()}compute_layout(){const t=Date.now();this.layout.compute(this._viewport),this.update_position(),this.after_layout(),r.logger.debug(`layout computed in ${Date.now()-t} ms`)}resize_layout(){this.root.compute_viewport(),this.root.compute_layout()}invalidate_layout(){this.root.update_layout(),this.root.compute_layout()}invalidate_render(){this.render(),this.invalidate_layout()}has_finished(){if(!super.has_finished())return!1;for(const t of this.child_views)if(!t.has_finished())return!1;return!0}_width_policy(){return null!=this.model.width?"fixed":"fit"}_height_policy(){return null!=this.model.height?"fixed":"fit"}box_sizing(){let{width_policy:t,height_policy:i,aspect_ratio:e}=this.model;"auto"==t&&(t=this._width_policy()),"auto"==i&&(i=this._height_policy());const{sizing_mode:s}=this.model;if(null!=s)if("fixed"==s)t=i="fixed";else if("stretch_both"==s)t=i="max";else if("stretch_width"==s)t="max";else if("stretch_height"==s)i="max";else switch(null==e&&(e="auto"),s){case"scale_width":t="max",i="min";break;case"scale_height":t="min",i="max";break;case"scale_both":t="max",i="max"}const o={width_policy:t,height_policy:i},{min_width:l,min_height:n}=this.model;null!=l&&(o.min_width=l),null!=n&&(o.min_height=n);const{width:h,height:a}=this.model;null!=h&&(o.width=h),null!=a&&(o.height=a);const{max_width:r,max_height:c}=this.model;null!=r&&(o.max_width=r),null!=c&&(o.max_height=c),"auto"==e&&null!=h&&null!=a?o.aspect=h/a:(0,_.isNumber)(e)&&(o.aspect=e);const{margin:u}=this.model;if(null!=u)if((0,_.isNumber)(u))o.margin={top:u,right:u,bottom:u,left:u};else if(2==u.length){const[t,i]=u;o.margin={top:t,right:i,bottom:t,left:i}}else{const[t,i,e,s]=u;o.margin={top:t,right:i,bottom:e,left:s}}o.visible=this.model.visible;const{align:d}=this.model;return(0,_.isArray)(d)?[o.halign,o.valign]=d:o.halign=o.valign=d,o}_viewport_size(){return(0,a.undisplayed)(this.el,(()=>{let t=this.el;for(;t=t.parentElement;){if(t.classList.contains(g.root))continue;if(t==document.body){const{margin:{left:t,right:i,top:e,bottom:s}}=(0,a.extents)(document.body);return{width:Math.ceil(document.documentElement.clientWidth-t-i),height:Math.ceil(document.documentElement.clientHeight-e-s)}}const{padding:{left:i,right:e,top:s,bottom:o}}=(0,a.extents)(t),{width:l,height:n}=t.getBoundingClientRect(),h=Math.ceil(l-i-e),r=Math.ceil(n-s-o);if(h>0||r>0)return{width:h>0?h:void 0,height:r>0?r:void 0}}return{}}))}export(t,i=!0){const e="png"==t?"canvas":"svg",s=new w.CanvasLayer(e,i),{width:o,height:l}=this.layout.bbox;s.resize(o,l);for(const e of this.child_views){const o=e.export(t,i),{x:l,y:n}=e.layout.bbox;s.ctx.drawImage(o.canvas,l,n)}return s}serializable_state(){return Object.assign(Object.assign({},super.serializable_state()),{bbox:this.layout.bbox.box,children:this.child_views.map((t=>t.serializable_state()))})}}e.LayoutDOMView=f,f.__name__="LayoutDOMView";class y extends n.Model{constructor(t){super(t)}}e.LayoutDOM=y,l=y,y.__name__="LayoutDOM",l.define((t=>{const{Boolean:i,Number:e,String:s,Auto:o,Color:l,Array:n,Tuple:a,Or:r,Null:_,Nullable:c}=t,u=a(e,e),d=a(e,e,e,e);return{width:[c(e),null],height:[c(e),null],min_width:[c(e),null],min_height:[c(e),null],max_width:[c(e),null],max_height:[c(e),null],margin:[c(r(e,u,d)),[0,0,0,0]],width_policy:[r(m.SizingPolicy,o),"auto"],height_policy:[r(m.SizingPolicy,o),"auto"],aspect_ratio:[r(e,o,_),null],sizing_mode:[c(h.SizingMode),null],visible:[i,!0],disabled:[i,!1],align:[r(h.Align,a(h.Align,h.Align)),"start"],background:[c(l),null],css_classes:[n(s),[]]}}))}, +function _(o,s,t,i,e){var n;i();const a=o(308),l=o(209);class u extends a.BoxView{_update_layout(){const o=this.child_views.map((o=>o.layout));this.layout=new l.Column(o),this.layout.rows=this.model.rows,this.layout.spacing=[this.model.spacing,0],this.layout.set_sizing(this.box_sizing())}}t.ColumnView=u,u.__name__="ColumnView";class _ extends a.Box{constructor(o){super(o)}}t.Column=_,n=_,_.__name__="Column",n.prototype.default_view=u,n.define((({Any:o})=>({rows:[o,"auto"]})))}, +function _(s,o,t,i,e){var n;i();const l=s(309),a=s(209);class r extends l.LayoutDOMView{connect_signals(){super.connect_signals();const{children:s,rows:o,cols:t,spacing:i}=this.model.properties;this.on_change([s,o,t,i],(()=>this.rebuild()))}get child_models(){return this.model.children.map((([s])=>s))}_update_layout(){this.layout=new a.Grid,this.layout.rows=this.model.rows,this.layout.cols=this.model.cols,this.layout.spacing=this.model.spacing;for(const[s,o,t,i,e]of this.model.children){const n=this._child_views.get(s);this.layout.items.push({layout:n.layout,row:o,col:t,row_span:i,col_span:e})}this.layout.set_sizing(this.box_sizing())}}t.GridBoxView=r,r.__name__="GridBoxView";class c extends l.LayoutDOM{constructor(s){super(s)}}t.GridBox=c,n=c,c.__name__="GridBox",n.prototype.default_view=r,n.define((({Any:s,Int:o,Number:t,Tuple:i,Array:e,Ref:n,Or:a,Opt:r})=>({children:[e(i(n(l.LayoutDOM),o,o,r(o),r(o))),[]],rows:[s,"auto"],cols:[s,"auto"],spacing:[a(t,i(t,t)),0]})))}, +function _(t,e,o,s,n){s();const _=t(309),i=t(207);class a extends _.LayoutDOMView{get child_models(){return[]}_update_layout(){this.layout=new i.ContentBox(this.el),this.layout.set_sizing(this.box_sizing())}}o.HTMLBoxView=a,a.__name__="HTMLBoxView";class u extends _.LayoutDOM{constructor(t){super(t)}}o.HTMLBox=u,u.__name__="HTMLBox"}, +function _(e,n,l,a,o){var t;a();const s=e(53),c=e(309);class d extends s.Model{constructor(e){super(e)}}l.Panel=d,t=d,d.__name__="Panel",t.define((({Boolean:e,String:n,Ref:l})=>({title:[n,""],child:[l(c.LayoutDOM)],closable:[e,!1],disabled:[e,!1]})))}, +function _(o,s,t,i,e){var a;i();const n=o(308),l=o(209);class _ extends n.BoxView{_update_layout(){const o=this.child_views.map((o=>o.layout));this.layout=new l.Row(o),this.layout.cols=this.model.cols,this.layout.spacing=[0,this.model.spacing],this.layout.set_sizing(this.box_sizing())}}t.RowView=_,_.__name__="RowView";class c extends n.Box{constructor(o){super(o)}}t.Row=c,a=c,c.__name__="Row",a.prototype.default_view=_,a.define((({Any:o})=>({cols:[o,"auto"]})))}, +function _(e,t,a,s,_){var o;s();const i=e(309),n=e(207);class u extends i.LayoutDOMView{get child_models(){return[]}_update_layout(){this.layout=new n.LayoutItem,this.layout.set_sizing(this.box_sizing())}}a.SpacerView=u,u.__name__="SpacerView";class c extends i.LayoutDOM{constructor(e){super(e)}}a.Spacer=c,o=c,c.__name__="Spacer",o.prototype.default_view=u}, +function _(e,t,s,i,l){i();const h=e(1);var a;const o=e(207),d=e(43),r=e(9),c=e(10),n=e(20),_=e(309),p=e(313),b=(0,h.__importStar)(e(317)),m=b,u=(0,h.__importStar)(e(318)),g=u,v=(0,h.__importStar)(e(229)),w=v;class f extends _.LayoutDOMView{constructor(){super(...arguments),this._scroll_index=0}connect_signals(){super.connect_signals(),this.connect(this.model.properties.tabs.change,(()=>this.rebuild())),this.connect(this.model.properties.active.change,(()=>this.on_active_change()))}styles(){return[...super.styles(),u.default,v.default,b.default]}get child_models(){return this.model.tabs.map((e=>e.child))}_update_layout(){const e=this.model.tabs_location,t="above"==e||"below"==e,{scroll_el:s,headers_el:i}=this;this.header=new class extends o.ContentBox{_measure(e){const l=(0,d.size)(s),h=(0,d.children)(i).slice(0,3).map((e=>(0,d.size)(e))),{width:a,height:o}=super._measure(e);if(t){const t=l.width+(0,r.sum)(h.map((e=>e.width)));return{width:e.width!=1/0?e.width:t,height:o}}{const t=l.height+(0,r.sum)(h.map((e=>e.height)));return{width:a,height:e.height!=1/0?e.height:t}}}}(this.header_el),t?this.header.set_sizing({width_policy:"fit",height_policy:"fixed"}):this.header.set_sizing({width_policy:"fixed",height_policy:"fit"});let l=1,h=1;switch(e){case"above":l-=1;break;case"below":l+=1;break;case"left":h-=1;break;case"right":h+=1}const a={layout:this.header,row:l,col:h},c=this.child_views.map((e=>({layout:e.layout,row:1,col:1})));this.layout=new o.Grid([a,...c]),this.layout.set_sizing(this.box_sizing())}update_position(){super.update_position(),this.header_el.style.position="absolute",(0,d.position)(this.header_el,this.header.bbox);const e=this.model.tabs_location,t="above"==e||"below"==e,s=(0,d.size)(this.scroll_el),i=(0,d.scroll_size)(this.headers_el);if(t){const{width:e}=this.header.bbox;i.width>e?(this.wrapper_el.style.maxWidth=e-s.width+"px",(0,d.display)(this.scroll_el),this.do_scroll(this.model.active)):(this.wrapper_el.style.maxWidth="",(0,d.undisplay)(this.scroll_el))}else{const{height:e}=this.header.bbox;i.height>e?(this.wrapper_el.style.maxHeight=e-s.height+"px",(0,d.display)(this.scroll_el),this.do_scroll(this.model.active)):(this.wrapper_el.style.maxHeight="",(0,d.undisplay)(this.scroll_el))}const{child_views:l}=this;for(const e of l)(0,d.hide)(e.el);const h=l[this.model.active];null!=h&&(0,d.show)(h.el)}render(){super.render();const{active:e}=this.model,t=this.model.tabs.map(((t,s)=>{const i=(0,d.div)({class:[m.tab,s==e?m.active:null]},t.title);if(i.addEventListener("click",(e=>{this.model.disabled||e.target==e.currentTarget&&this.change_active(s)})),t.closable){const e=(0,d.div)({class:m.close});e.addEventListener("click",(e=>{if(e.target==e.currentTarget){this.model.tabs=(0,r.remove_at)(this.model.tabs,s);const e=this.model.tabs.length;this.model.active>e-1&&(this.model.active=e-1)}})),i.appendChild(e)}return(this.model.disabled||t.disabled)&&i.classList.add(m.disabled),i}));this.headers_el=(0,d.div)({class:[m.headers]},t),this.wrapper_el=(0,d.div)({class:m.headers_wrapper},this.headers_el),this.left_el=(0,d.div)({class:[g.btn,g.btn_default],disabled:""},(0,d.div)({class:[w.caret,m.left]})),this.right_el=(0,d.div)({class:[g.btn,g.btn_default]},(0,d.div)({class:[w.caret,m.right]})),this.left_el.addEventListener("click",(()=>this.do_scroll("left"))),this.right_el.addEventListener("click",(()=>this.do_scroll("right"))),this.scroll_el=(0,d.div)({class:g.btn_group},this.left_el,this.right_el);const s=this.model.tabs_location;this.header_el=(0,d.div)({class:[m.tabs_header,m[s]]},this.scroll_el,this.wrapper_el),this.el.appendChild(this.header_el)}do_scroll(e){const t=this.model.tabs.length;"left"==e?this._scroll_index-=1:"right"==e?this._scroll_index+=1:this._scroll_index=e,this._scroll_index=(0,c.clamp)(this._scroll_index,0,t-1),0==this._scroll_index?this.left_el.setAttribute("disabled",""):this.left_el.removeAttribute("disabled"),this._scroll_index==t-1?this.right_el.setAttribute("disabled",""):this.right_el.removeAttribute("disabled");const s=(0,d.children)(this.headers_el).slice(0,this._scroll_index).map((e=>e.getBoundingClientRect())),i=this.model.tabs_location;if("above"==i||"below"==i){const e=-(0,r.sum)(s.map((e=>e.width)));this.headers_el.style.left=`${e}px`}else{const e=-(0,r.sum)(s.map((e=>e.height)));this.headers_el.style.top=`${e}px`}}change_active(e){e!=this.model.active&&(this.model.active=e)}on_active_change(){const e=this.model.active,t=(0,d.children)(this.headers_el);for(const e of t)e.classList.remove(m.active);t[e].classList.add(m.active);const{child_views:s}=this;for(const e of s)(0,d.hide)(e.el);(0,d.show)(s[e].el)}}s.TabsView=f,f.__name__="TabsView";class x extends _.LayoutDOM{constructor(e){super(e)}}s.Tabs=x,a=x,x.__name__="Tabs",a.prototype.default_view=f,a.define((({Int:e,Array:t,Ref:s})=>({tabs:[t(s(p.Panel)),[]],tabs_location:[n.Location,"above"],active:[e,0]})))}, +function _(e,r,b,o,t){o(),b.root="bk-root",b.tabs_header="bk-tabs-header",b.btn_group="bk-btn-group",b.btn="bk-btn",b.headers_wrapper="bk-headers-wrapper",b.above="bk-above",b.right="bk-right",b.below="bk-below",b.left="bk-left",b.headers="bk-headers",b.tab="bk-tab",b.active="bk-active",b.close="bk-close",b.disabled="bk-disabled",b.default='.bk-root .bk-tabs-header{display:flex;flex-wrap:nowrap;align-items:center;overflow:hidden;user-select:none;-ms-user-select:none;-moz-user-select:none;-webkit-user-select:none;}.bk-root .bk-tabs-header .bk-btn-group{height:auto;margin-right:5px;}.bk-root .bk-tabs-header .bk-btn-group > .bk-btn{flex-grow:0;height:auto;padding:4px 4px;}.bk-root .bk-tabs-header .bk-headers-wrapper{flex-grow:1;overflow:hidden;color:#666666;}.bk-root .bk-tabs-header.bk-above .bk-headers-wrapper{border-bottom:1px solid #e6e6e6;}.bk-root .bk-tabs-header.bk-right .bk-headers-wrapper{border-left:1px solid #e6e6e6;}.bk-root .bk-tabs-header.bk-below .bk-headers-wrapper{border-top:1px solid #e6e6e6;}.bk-root .bk-tabs-header.bk-left .bk-headers-wrapper{border-right:1px solid #e6e6e6;}.bk-root .bk-tabs-header.bk-above,.bk-root .bk-tabs-header.bk-below{flex-direction:row;}.bk-root .bk-tabs-header.bk-above .bk-headers,.bk-root .bk-tabs-header.bk-below .bk-headers{flex-direction:row;}.bk-root .bk-tabs-header.bk-left,.bk-root .bk-tabs-header.bk-right{flex-direction:column;}.bk-root .bk-tabs-header.bk-left .bk-headers,.bk-root .bk-tabs-header.bk-right .bk-headers{flex-direction:column;}.bk-root .bk-tabs-header .bk-headers{position:relative;display:flex;flex-wrap:nowrap;align-items:center;}.bk-root .bk-tabs-header .bk-tab{padding:4px 8px;border:solid transparent;white-space:nowrap;cursor:pointer;}.bk-root .bk-tabs-header .bk-tab:hover{background-color:#f2f2f2;}.bk-root .bk-tabs-header .bk-tab.bk-active{color:#4d4d4d;background-color:white;border-color:#e6e6e6;}.bk-root .bk-tabs-header .bk-tab .bk-close{margin-left:10px;}.bk-root .bk-tabs-header .bk-tab.bk-disabled{cursor:not-allowed;pointer-events:none;opacity:0.65;}.bk-root .bk-tabs-header.bk-above .bk-tab{border-width:3px 1px 0px 1px;border-radius:4px 4px 0 0;}.bk-root .bk-tabs-header.bk-right .bk-tab{border-width:1px 3px 1px 0px;border-radius:0 4px 4px 0;}.bk-root .bk-tabs-header.bk-below .bk-tab{border-width:0px 1px 3px 1px;border-radius:0 0 4px 4px;}.bk-root .bk-tabs-header.bk-left .bk-tab{border-width:1px 0px 1px 3px;border-radius:4px 0 0 4px;}.bk-root .bk-close{display:inline-block;width:10px;height:10px;vertical-align:middle;background-image:url(\'data:image/svg+xml;utf8, \');}.bk-root .bk-close:hover{background-image:url(\'data:image/svg+xml;utf8, \');}'}, +function _(o,b,r,t,e){t(),r.root="bk-root",r.btn="bk-btn",r.active="bk-active",r.btn_default="bk-btn-default",r.btn_primary="bk-btn-primary",r.btn_success="bk-btn-success",r.btn_warning="bk-btn-warning",r.btn_danger="bk-btn-danger",r.btn_light="bk-btn-light",r.btn_group="bk-btn-group",r.vertical="bk-vertical",r.horizontal="bk-horizontal",r.dropdown_toggle="bk-dropdown-toggle",r.default=".bk-root .bk-btn{height:100%;display:inline-block;text-align:center;vertical-align:middle;white-space:nowrap;cursor:pointer;padding:6px 12px;font-size:12px;border:1px solid transparent;border-radius:4px;outline:0;user-select:none;-ms-user-select:none;-moz-user-select:none;-webkit-user-select:none;}.bk-root .bk-btn:hover,.bk-root .bk-btn:focus{text-decoration:none;}.bk-root .bk-btn:active,.bk-root .bk-btn.bk-active{background-image:none;box-shadow:inset 0 3px 5px rgba(0, 0, 0, 0.125);}.bk-root .bk-btn[disabled]{cursor:not-allowed;pointer-events:none;opacity:0.65;box-shadow:none;}.bk-root .bk-btn-default{color:#333;background-color:#fff;border-color:#ccc;}.bk-root .bk-btn-default:hover{background-color:#f5f5f5;border-color:#b8b8b8;}.bk-root .bk-btn-default.bk-active{background-color:#ebebeb;border-color:#adadad;}.bk-root .bk-btn-default[disabled],.bk-root .bk-btn-default[disabled]:hover,.bk-root .bk-btn-default[disabled]:focus,.bk-root .bk-btn-default[disabled]:active,.bk-root .bk-btn-default[disabled].bk-active{background-color:#e6e6e6;border-color:#ccc;}.bk-root .bk-btn-primary{color:#fff;background-color:#428bca;border-color:#357ebd;}.bk-root .bk-btn-primary:hover{background-color:#3681c1;border-color:#2c699e;}.bk-root .bk-btn-primary.bk-active{background-color:#3276b1;border-color:#285e8e;}.bk-root .bk-btn-primary[disabled],.bk-root .bk-btn-primary[disabled]:hover,.bk-root .bk-btn-primary[disabled]:focus,.bk-root .bk-btn-primary[disabled]:active,.bk-root .bk-btn-primary[disabled].bk-active{background-color:#506f89;border-color:#357ebd;}.bk-root .bk-btn-success{color:#fff;background-color:#5cb85c;border-color:#4cae4c;}.bk-root .bk-btn-success:hover{background-color:#4eb24e;border-color:#409240;}.bk-root .bk-btn-success.bk-active{background-color:#47a447;border-color:#398439;}.bk-root .bk-btn-success[disabled],.bk-root .bk-btn-success[disabled]:hover,.bk-root .bk-btn-success[disabled]:focus,.bk-root .bk-btn-success[disabled]:active,.bk-root .bk-btn-success[disabled].bk-active{background-color:#667b66;border-color:#4cae4c;}.bk-root .bk-btn-warning{color:#fff;background-color:#f0ad4e;border-color:#eea236;}.bk-root .bk-btn-warning:hover{background-color:#eea43b;border-color:#e89014;}.bk-root .bk-btn-warning.bk-active{background-color:#ed9c28;border-color:#d58512;}.bk-root .bk-btn-warning[disabled],.bk-root .bk-btn-warning[disabled]:hover,.bk-root .bk-btn-warning[disabled]:focus,.bk-root .bk-btn-warning[disabled]:active,.bk-root .bk-btn-warning[disabled].bk-active{background-color:#c89143;border-color:#eea236;}.bk-root .bk-btn-danger{color:#fff;background-color:#d9534f;border-color:#d43f3a;}.bk-root .bk-btn-danger:hover{background-color:#d5433e;border-color:#bd2d29;}.bk-root .bk-btn-danger.bk-active{background-color:#d2322d;border-color:#ac2925;}.bk-root .bk-btn-danger[disabled],.bk-root .bk-btn-danger[disabled]:hover,.bk-root .bk-btn-danger[disabled]:focus,.bk-root .bk-btn-danger[disabled]:active,.bk-root .bk-btn-danger[disabled].bk-active{background-color:#a55350;border-color:#d43f3a;}.bk-root .bk-btn-light{color:#333;background-color:#fff;border-color:#ccc;border-color:transparent;}.bk-root .bk-btn-light:hover{background-color:#f5f5f5;border-color:#b8b8b8;}.bk-root .bk-btn-light.bk-active{background-color:#ebebeb;border-color:#adadad;}.bk-root .bk-btn-light[disabled],.bk-root .bk-btn-light[disabled]:hover,.bk-root .bk-btn-light[disabled]:focus,.bk-root .bk-btn-light[disabled]:active,.bk-root .bk-btn-light[disabled].bk-active{background-color:#e6e6e6;border-color:#ccc;}.bk-root .bk-btn-group{height:100%;display:flex;flex-wrap:nowrap;align-items:center;}.bk-root .bk-btn-group:not(.bk-vertical),.bk-root .bk-btn-group.bk-horizontal{flex-direction:row;}.bk-root .bk-btn-group.bk-vertical{flex-direction:column;}.bk-root .bk-btn-group > .bk-btn{flex-grow:1;}.bk-root .bk-btn-group:not(.bk-vertical) > .bk-btn + .bk-btn{margin-left:-1px;}.bk-root .bk-btn-group.bk-vertical > .bk-btn + .bk-btn{margin-top:-1px;}.bk-root .bk-btn-group:not(.bk-vertical) > .bk-btn:first-child:not(:last-child){border-bottom-right-radius:0;border-top-right-radius:0;}.bk-root .bk-btn-group.bk-vertical > .bk-btn:first-child:not(:last-child){border-bottom-left-radius:0;border-bottom-right-radius:0;}.bk-root .bk-btn-group:not(.bk-vertical) > .bk-btn:not(:first-child):last-child{border-bottom-left-radius:0;border-top-left-radius:0;}.bk-root .bk-btn-group.bk-vertical > .bk-btn:not(:first-child):last-child{border-top-left-radius:0;border-top-right-radius:0;}.bk-root .bk-btn-group > .bk-btn:not(:first-child):not(:last-child){border-radius:0;}.bk-root .bk-btn-group.bk-vertical > .bk-btn{width:100%;}.bk-root .bk-btn-group .bk-dropdown-toggle{flex:0 0 0;padding:6px 6px;}"}, +function _(e,t,o,n,_){var i;n();const s=e(310);class d extends s.ColumnView{}o.WidgetBoxView=d,d.__name__="WidgetBoxView";class a extends s.Column{constructor(e){super(e)}}o.WidgetBox=a,i=a,a.__name__="WidgetBox",i.prototype.default_view=d}, +function _(t,a,i,e,M){e();var T=t(135);M("MathText",T.MathText),M("Ascii",T.Ascii),M("MathML",T.MathML),M("TeX",T.TeX),M("PlainText",t(139).PlainText)}, +function _(r,o,t,e,n){e(),n("CustomJSTransform",r(322).CustomJSTransform),n("Dodge",r(323).Dodge),n("Interpolator",r(325).Interpolator),n("Jitter",r(326).Jitter),n("LinearInterpolator",r(327).LinearInterpolator),n("StepInterpolator",r(328).StepInterpolator),n("Transform",r(56).Transform)}, +function _(r,t,s,n,e){var a;n();const u=r(56),o=r(13),m=r(34);class _ extends u.Transform{constructor(r){super(r)}get names(){return(0,o.keys)(this.args)}get values(){return(0,o.values)(this.args)}_make_transform(r,t){return new Function(...this.names,r,(0,m.use_strict)(t))}get scalar_transform(){return this._make_transform("x",this.func)}get vector_transform(){return this._make_transform("xs",this.v_func)}compute(r){return this.scalar_transform(...this.values,r)}v_compute(r){return this.vector_transform(...this.values,r)}}s.CustomJSTransform=_,a=_,_.__name__="CustomJSTransform",a.define((({Unknown:r,String:t,Dict:s})=>({args:[s(r),{}],func:[t,""],v_func:[t,""]})))}, +function _(e,n,r,o,s){var t;o();const u=e(324);class a extends u.RangeTransform{constructor(e){super(e)}_compute(e){return e+this.value}}r.Dodge=a,t=a,a.__name__="Dodge",t.define((({Number:e})=>({value:[e,0]})))}, +function _(e,n,t,r,a){var s;r();const c=e(56),o=e(57),i=e(67),u=e(24),h=e(8),l=e(11);class g extends c.Transform{constructor(e){super(e)}v_compute(e){let n;this.range instanceof i.FactorRange?n=this.range.v_synthetic(e):(0,h.isArrayableOf)(e,h.isNumber)?n=e:(0,l.unreachable)();const t=new((0,u.infer_type)(n))(n.length);for(let e=0;e({range:[n(e(o.Range)),null]})))}, +function _(t,e,r,n,s){var o;n();const i=t(56),a=t(70),h=t(24),l=t(9),d=t(8);class c extends i.Transform{constructor(t){super(t),this._sorted_dirty=!0}connect_signals(){super.connect_signals(),this.connect(this.change,(()=>this._sorted_dirty=!0))}v_compute(t){const e=new((0,h.infer_type)(t))(t.length);for(let r=0;ro*(e[t]-e[r]))),this._x_sorted=new((0,h.infer_type)(e))(n),this._y_sorted=new((0,h.infer_type)(r))(n);for(let t=0;t({x:[o(r,s(e))],y:[o(r,s(e))],data:[i(n(a.ColumnarDataSource)),null],clip:[t,!0]})))}, +function _(t,s,e,i,r){i();const n=t(1);var o;const a=t(324),u=t(67),h=t(20),c=t(8),m=t(12),f=(0,n.__importStar)(t(10)),_=t(11);class p extends a.RangeTransform{constructor(t){super(t)}v_compute(t){var s;let e;this.range instanceof u.FactorRange?e=this.range.v_synthetic(t):(0,c.isArrayableOf)(t,c.isNumber)?e=t:(0,_.unreachable)();const i=e.length;(null===(s=this.previous_offsets)||void 0===s?void 0:s.length)!=i&&(this.previous_offsets=new Array(i),this.previous_offsets=(0,m.map)(this.previous_offsets,(()=>this._compute())));const r=this.previous_offsets;return(0,m.map)(e,((t,s)=>r[s]+t))}_compute(){switch(this.distribution){case"uniform":return this.mean+(f.random()-.5)*this.width;case"normal":return f.rnorm(this.mean,this.width)}}}e.Jitter=p,o=p,p.__name__="Jitter",o.define((({Number:t})=>({mean:[t,0],width:[t,1],distribution:[h.Distribution,"uniform"]})))}, +function _(t,s,_,r,e){r();const i=t(9),o=t(325);class n extends o.Interpolator{constructor(t){super(t)}compute(t){if(this.sort(!1),this.clip){if(tthis._x_sorted[this._x_sorted.length-1])return NaN}else{if(tthis._x_sorted[this._x_sorted.length-1])return this._y_sorted[this._y_sorted.length-1]}if(t==this._x_sorted[0])return this._y_sorted[0];const s=(0,i.find_last_index)(this._x_sorted,(s=>sthis._x_sorted[this._x_sorted.length-1])return NaN}else{if(tthis._x_sorted[this._x_sorted.length-1])return this._y_sorted[this._y_sorted.length-1]}let e;switch(this.mode){case"after":e=(0,d.find_last_index)(this._x_sorted,(e=>t>=e));break;case"before":e=(0,d.find_index)(this._x_sorted,(e=>t<=e));break;case"center":{const s=(0,d.map)(this._x_sorted,(e=>Math.abs(e-t))),r=(0,d.min)(s);e=(0,d.find_index)(s,(t=>r===t));break}default:throw new Error(`unknown mode: ${this.mode}`)}return-1!=e?this._y_sorted[e]:NaN}}s.StepInterpolator=h,_=h,h.__name__="StepInterpolator",_.define((()=>({mode:[n.StepMode,"after"]})))}, +function _(p,o,t,a,n){a(),n("MapOptions",p(330).MapOptions),n("GMapOptions",p(330).GMapOptions),n("GMapPlot",p(330).GMapPlot),n("Plot",p(331).Plot)}, +function _(e,t,n,o,a){var s,p,_;o();const i=e(331),r=e(53),l=e(58),c=e(336);a("GMapPlotView",c.GMapPlotView);class d extends r.Model{constructor(e){super(e)}}n.MapOptions=d,s=d,d.__name__="MapOptions",s.define((({Int:e,Number:t})=>({lat:[t],lng:[t],zoom:[e,12]})));class u extends d{constructor(e){super(e)}}n.GMapOptions=u,p=u,u.__name__="GMapOptions",p.define((({Boolean:e,Int:t,String:n})=>({map_type:[n,"roadmap"],scale_control:[e,!1],styles:[n],tilt:[t,45]})));class M extends i.Plot{constructor(e){super(e),this.use_map=!0}}n.GMapPlot=M,_=M,M.__name__="GMapPlot",_.prototype.default_view=c.GMapPlotView,_.define((({String:e,Ref:t})=>({map_options:[t(u)],api_key:[e],api_version:[e,"3.43"]}))),_.override({x_range:()=>new l.Range1d,y_range:()=>new l.Range1d})}, +function _(e,t,r,n,i){n();const o=e(1);var a;const s=(0,o.__importStar)(e(48)),l=(0,o.__importStar)(e(18)),_=e(15),c=e(20),h=e(9),d=e(13),u=e(8),g=e(309),p=e(128),f=e(306),b=e(40),w=e(118),y=e(59),m=e(221),x=e(57),v=e(55),A=e(75),S=e(41),R=e(176),D=e(175),L=e(63),P=e(332);i("PlotView",P.PlotView);class k extends g.LayoutDOM{constructor(e){super(e),this.use_map=!1}_doc_attached(){super._doc_attached(),this._push_changes([[this.properties.inner_height,null,this.inner_height],[this.properties.inner_width,null,this.inner_width]])}initialize(){super.initialize(),this.reset=new _.Signal0(this,"reset");for(const e of(0,d.values)(this.extra_x_ranges).concat(this.x_range)){let t=e.plots;(0,u.isArray)(t)&&(t=t.concat(this),e.setv({plots:t},{silent:!0}))}for(const e of(0,d.values)(this.extra_y_ranges).concat(this.y_range)){let t=e.plots;(0,u.isArray)(t)&&(t=t.concat(this),e.setv({plots:t},{silent:!0}))}}add_layout(e,t="center"){const r=this.properties[t].get_value();this.setv({[t]:[...r,e]})}remove_layout(e){const t=t=>{(0,h.remove_by)(t,(t=>t==e))};t(this.left),t(this.right),t(this.above),t(this.below),t(this.center)}get data_renderers(){return this.renderers.filter((e=>e instanceof R.DataRenderer))}add_renderers(...e){this.renderers=this.renderers.concat(e)}add_glyph(e,t=new A.ColumnDataSource,r={}){const n=new D.GlyphRenderer(Object.assign(Object.assign({},r),{data_source:t,glyph:e}));return this.add_renderers(n),n}add_tools(...e){this.toolbar.tools=this.toolbar.tools.concat(e)}get panels(){return[...this.side_panels,...this.center]}get side_panels(){const{above:e,below:t,left:r,right:n}=this;return(0,h.concat)([e,t,r,n])}}r.Plot=k,a=k,k.__name__="Plot",a.prototype.default_view=P.PlotView,a.mixins([["outline_",s.Line],["background_",s.Fill],["border_",s.Fill]]),a.define((({Boolean:e,Number:t,String:r,Array:n,Dict:i,Or:o,Ref:a,Null:s,Nullable:_})=>({toolbar:[a(m.Toolbar),()=>new m.Toolbar],toolbar_location:[_(c.Location),"right"],toolbar_sticky:[e,!0],plot_width:[l.Alias("width")],plot_height:[l.Alias("height")],frame_width:[_(t),null],frame_height:[_(t),null],title:[o(a(w.Title),r,s),"",{convert:e=>(0,u.isString)(e)?new w.Title({text:e}):e}],title_location:[_(c.Location),"above"],above:[n(o(a(b.Annotation),a(p.Axis))),[]],below:[n(o(a(b.Annotation),a(p.Axis))),[]],left:[n(o(a(b.Annotation),a(p.Axis))),[]],right:[n(o(a(b.Annotation),a(p.Axis))),[]],center:[n(o(a(b.Annotation),a(f.Grid))),[]],renderers:[n(a(S.Renderer)),[]],x_range:[a(x.Range),()=>new L.DataRange1d],y_range:[a(x.Range),()=>new L.DataRange1d],x_scale:[a(v.Scale),()=>new y.LinearScale],y_scale:[a(v.Scale),()=>new y.LinearScale],extra_x_ranges:[i(a(x.Range)),{}],extra_y_ranges:[i(a(x.Range)),{}],extra_x_scales:[i(a(v.Scale)),{}],extra_y_scales:[i(a(v.Scale)),{}],lod_factor:[t,10],lod_interval:[t,300],lod_threshold:[_(t),2e3],lod_timeout:[t,500],hidpi:[e,!0],output_backend:[c.OutputBackend,"canvas"],min_border:[_(t),5],min_border_top:[_(t),null],min_border_left:[_(t),null],min_border_bottom:[_(t),null],min_border_right:[_(t),null],inner_width:[t,0],inner_height:[t,0],outer_width:[t,0],outer_height:[t,0],match_aspect:[e,!1],aspect_scale:[t,1],reset_policy:[c.ResetPolicy,"standard"]}))),a.override({width:600,height:600,outline_line_color:"#e5e5e5",border_fill_color:"#ffffff",background_fill_color:"#ffffff"})}, +function _(e,t,i,s,a){s();const n=e(1),o=e(126),l=e(249),r=e(309),_=e(40),h=e(118),d=e(128),u=e(220),c=e(251),p=e(113),v=e(45),g=e(19),b=e(251),m=e(333),y=e(8),w=e(9),f=e(235),x=e(208),z=e(211),k=e(209),q=e(123),M=e(65),R=e(334),V=e(335),S=e(28);class O extends r.LayoutDOMView{constructor(){super(...arguments),this._outer_bbox=new M.BBox,this._inner_bbox=new M.BBox,this._needs_paint=!0,this._needs_layout=!1,this._invalidated_painters=new Set,this._invalidate_all=!0,this._needs_notify=!1}get canvas(){return this.canvas_view}get state(){return this._state_manager}set invalidate_dataranges(e){this._range_manager.invalidate_dataranges=e}renderer_view(e){const t=this.renderer_views.get(e);if(null==t)for(const[,t]of this.renderer_views){const i=t.renderer_view(e);if(null!=i)return i}return t}get is_paused(){return null!=this._is_paused&&0!==this._is_paused}get child_models(){return[]}pause(){null==this._is_paused?this._is_paused=1:this._is_paused+=1}unpause(e=!1){if(null==this._is_paused)throw new Error("wasn't paused");this._is_paused-=1,0!=this._is_paused||e||this.request_paint("everything")}notify_finished_after_paint(){this._needs_notify=!0}request_render(){this.request_paint("everything")}request_paint(e){this.invalidate_painters(e),this.schedule_paint()}invalidate_painters(e){if("everything"==e)this._invalidate_all=!0;else if((0,y.isArray)(e))for(const t of e)this._invalidated_painters.add(t);else this._invalidated_painters.add(e)}schedule_paint(){if(!this.is_paused){const e=this.throttled_paint();this._ready=this._ready.then((()=>e))}}request_layout(){this._needs_layout=!0,this.request_paint("everything")}reset(){"standard"==this.model.reset_policy&&(this.state.clear(),this.reset_range(),this.reset_selection()),this.model.trigger_event(new c.Reset)}remove(){(0,p.remove_views)(this.renderer_views),(0,p.remove_views)(this.tool_views),this.canvas_view.remove(),super.remove()}render(){super.render(),this.el.appendChild(this.canvas_view.el),this.canvas_view.render()}initialize(){this.pause(),super.initialize(),this.lod_started=!1,this.visuals=new v.Visuals(this),this._initial_state={selection:new Map,dimensions:{width:0,height:0}},this.visibility_callbacks=[],this.renderer_views=new Map,this.tool_views=new Map,this.frame=new o.CartesianFrame(this.model.x_scale,this.model.y_scale,this.model.x_range,this.model.y_range,this.model.extra_x_ranges,this.model.extra_y_ranges,this.model.extra_x_scales,this.model.extra_y_scales),this._range_manager=new R.RangeManager(this),this._state_manager=new V.StateManager(this,this._initial_state),this.throttled_paint=(0,m.throttle)((()=>this.repaint()),1e3/60);const{title_location:e,title:t}=this.model;null!=e&&null!=t&&(this._title=t instanceof h.Title?t:new h.Title({text:t}));const{toolbar_location:i,toolbar:s}=this.model;null!=i&&null!=s&&(this._toolbar=new u.ToolbarPanel({toolbar:s}),s.toolbar_location=i)}async lazy_initialize(){await super.lazy_initialize();const{hidpi:e,output_backend:t}=this.model,i=new l.Canvas({hidpi:e,output_backend:t});this.canvas_view=await(0,p.build_view)(i,{parent:this}),this.canvas_view.plot_views=[this],await this.build_renderer_views(),await this.build_tool_views(),this._range_manager.update_dataranges(),this.unpause(!0),g.logger.debug("PlotView initialized")}_width_policy(){return null==this.model.frame_width?super._width_policy():"min"}_height_policy(){return null==this.model.frame_height?super._height_policy():"min"}_update_layout(){var e,t,i,s,a;this.layout=new z.BorderLayout,this.layout.set_sizing(this.box_sizing());const n=(0,w.copy)(this.model.above),o=(0,w.copy)(this.model.below),l=(0,w.copy)(this.model.left),r=(0,w.copy)(this.model.right),d=e=>{switch(e){case"above":return n;case"below":return o;case"left":return l;case"right":return r}},{title_location:c,title:p}=this.model;null!=c&&null!=p&&d(c).push(this._title);const{toolbar_location:v,toolbar:g}=this.model;if(null!=v&&null!=g){const e=d(v);let t=!0;if(this.model.toolbar_sticky)for(let i=0;i{var i;const s=this.renderer_view(t);return s.panel=new q.Panel(e),null===(i=s.update_layout)||void 0===i||i.call(s),s.layout},m=(e,t)=>{const i="above"==e||"below"==e,s=[];for(const a of t)if((0,y.isArray)(a)){const t=a.map((t=>{const s=b(e,t);if(t instanceof u.ToolbarPanel){const e=i?"width_policy":"height_policy";s.set_sizing(Object.assign(Object.assign({},s.sizing),{[e]:"min"}))}return s}));let n;i?(n=new k.Row(t),n.set_sizing({width_policy:"max",height_policy:"min"})):(n=new k.Column(t),n.set_sizing({width_policy:"min",height_policy:"max"})),n.absolute=!0,s.push(n)}else s.push(b(e,a));return s},f=null!==(e=this.model.min_border)&&void 0!==e?e:0;this.layout.min_border={left:null!==(t=this.model.min_border_left)&&void 0!==t?t:f,top:null!==(i=this.model.min_border_top)&&void 0!==i?i:f,right:null!==(s=this.model.min_border_right)&&void 0!==s?s:f,bottom:null!==(a=this.model.min_border_bottom)&&void 0!==a?a:f};const M=new x.NodeLayout,R=new x.VStack,V=new x.VStack,S=new x.HStack,O=new x.HStack;M.absolute=!0,R.absolute=!0,V.absolute=!0,S.absolute=!0,O.absolute=!0,M.children=this.model.center.filter((e=>e instanceof _.Annotation)).map((e=>{var t;const i=this.renderer_view(e);return null===(t=i.update_layout)||void 0===t||t.call(i),i.layout})).filter((e=>null!=e));const{frame_width:P,frame_height:j}=this.model;M.set_sizing(Object.assign(Object.assign({},null!=P?{width_policy:"fixed",width:P}:{width_policy:"fit"}),null!=j?{height_policy:"fixed",height:j}:{height_policy:"fit"})),M.on_resize((e=>this.frame.set_geometry(e))),R.children=(0,w.reversed)(m("above",n)),V.children=m("below",o),S.children=(0,w.reversed)(m("left",l)),O.children=m("right",r),R.set_sizing({width_policy:"fit",height_policy:"min"}),V.set_sizing({width_policy:"fit",height_policy:"min"}),S.set_sizing({width_policy:"min",height_policy:"fit"}),O.set_sizing({width_policy:"min",height_policy:"fit"}),this.layout.center_panel=M,this.layout.top_panel=R,this.layout.bottom_panel=V,this.layout.left_panel=S,this.layout.right_panel=O}get axis_views(){const e=[];for(const[,t]of this.renderer_views)t instanceof d.AxisView&&e.push(t);return e}set_toolbar_visibility(e){for(const t of this.visibility_callbacks)t(e)}update_range(e,t){this.pause(),this._range_manager.update(e,t),this.unpause()}reset_range(){this.update_range(null),this.trigger_ranges_update_event()}trigger_ranges_update_event(){const{x_range:e,y_range:t}=this.model;this.model.trigger_event(new b.RangesUpdate(e.start,e.end,t.start,t.end))}get_selection(){const e=new Map;for(const t of this.model.data_renderers){const{selected:i}=t.selection_manager.source;e.set(t,i)}return e}update_selection(e){for(const t of this.model.data_renderers){const i=t.selection_manager.source;if(null!=e){const s=e.get(t);null!=s&&i.selected.update(s,!0)}else i.selection_manager.clear()}}reset_selection(){this.update_selection(null)}_invalidate_layout(){(()=>{var e;for(const t of this.model.side_panels){const i=this.renderer_views.get(t);if(null===(e=i.layout)||void 0===e?void 0:e.has_size_changed())return this.invalidate_painters(i),!0}return!1})()&&this.root.compute_layout()}get_renderer_views(){return this.computed_renderers.map((e=>this.renderer_views.get(e)))}*_compute_renderers(){const{above:e,below:t,left:i,right:s,center:a,renderers:n}=this.model;yield*n,yield*e,yield*t,yield*i,yield*s,yield*a,null!=this._title&&(yield this._title),null!=this._toolbar&&(yield this._toolbar);for(const e of this.model.toolbar.tools)null!=e.overlay&&(yield e.overlay),yield*e.synthetic_renderers}async build_renderer_views(){this.computed_renderers=[...this._compute_renderers()],await(0,p.build_views)(this.renderer_views,this.computed_renderers,{parent:this})}async build_tool_views(){const e=this.model.toolbar.tools;(await(0,p.build_views)(this.tool_views,e,{parent:this})).map((e=>this.canvas_view.ui_event_bus.register_tool(e)))}connect_signals(){super.connect_signals();const{x_ranges:e,y_ranges:t}=this.frame;for(const[,t]of e)this.connect(t.change,(()=>{this._needs_layout=!0,this.request_paint("everything")}));for(const[,e]of t)this.connect(e.change,(()=>{this._needs_layout=!0,this.request_paint("everything")}));const{above:i,below:s,left:a,right:n,center:o,renderers:l}=this.model.properties;this.on_change([i,s,a,n,o,l],(async()=>await this.build_renderer_views())),this.connect(this.model.toolbar.properties.tools.change,(async()=>{await this.build_renderer_views(),await this.build_tool_views()})),this.connect(this.model.change,(()=>this.request_paint("everything"))),this.connect(this.model.reset,(()=>this.reset()))}has_finished(){if(!super.has_finished())return!1;if(this.model.visible)for(const[,e]of this.renderer_views)if(!e.has_finished())return!1;return!0}after_layout(){var e;super.after_layout();for(const[,t]of this.renderer_views)t instanceof _.AnnotationView&&(null===(e=t.after_layout)||void 0===e||e.call(t));if(this._needs_layout=!1,this.model.setv({inner_width:Math.round(this.frame.bbox.width),inner_height:Math.round(this.frame.bbox.height),outer_width:Math.round(this.layout.bbox.width),outer_height:Math.round(this.layout.bbox.height)},{no_change:!0}),!1!==this.model.match_aspect&&(this.pause(),this._range_manager.update_dataranges(),this.unpause(!0)),!this._outer_bbox.equals(this.layout.bbox)){const{width:e,height:t}=this.layout.bbox;this.canvas_view.resize(e,t),this._outer_bbox=this.layout.bbox,this._invalidate_all=!0,this._needs_paint=!0}const{inner_bbox:t}=this.layout;this._inner_bbox.equals(t)||(this._inner_bbox=t,this._needs_paint=!0),this._needs_paint&&this.paint()}repaint(){this._needs_layout&&this._invalidate_layout(),this.paint()}paint(){this.is_paused||(this.model.visible&&(g.logger.trace(`${this.toString()}.paint()`),this._actual_paint()),this._needs_notify&&(this._needs_notify=!1,this.notify_finished()))}_actual_paint(){var e;const{document:t}=this.model;if(null!=t){const e=t.interactive_duration();e>=0&&e{t.interactive_duration()>this.model.lod_timeout&&t.interactive_stop(),this.request_paint("everything")}),this.model.lod_timeout):t.interactive_stop()}this._range_manager.invalidate_dataranges&&(this._range_manager.update_dataranges(),this._invalidate_layout());let i=!1,s=!1;if(this._invalidate_all)i=!0,s=!0;else for(const e of this._invalidated_painters){const{level:t}=e.model;if("overlay"!=t?i=!0:s=!0,i&&s)break}this._invalidated_painters.clear(),this._invalidate_all=!1;const a=[this.frame.bbox.left,this.frame.bbox.top,this.frame.bbox.width,this.frame.bbox.height],{primary:n,overlays:o}=this.canvas_view;i&&(n.prepare(),this.canvas_view.prepare_webgl(a),this._map_hook(n.ctx,a),this._paint_empty(n.ctx,a),this._paint_outline(n.ctx,a),this._paint_levels(n.ctx,"image",a,!0),this._paint_levels(n.ctx,"underlay",a,!0),this._paint_levels(n.ctx,"glyph",a,!0),this._paint_levels(n.ctx,"guide",a,!1),this._paint_levels(n.ctx,"annotation",a,!1),n.finish()),(s||S.settings.wireframe)&&(o.prepare(),this._paint_levels(o.ctx,"overlay",a,!1),S.settings.wireframe&&this._paint_layout(o.ctx,this.layout),o.finish()),null==this._initial_state.range&&(this._initial_state.range=null!==(e=this._range_manager.compute_initial())&&void 0!==e?e:void 0),this._needs_paint=!1}_paint_levels(e,t,i,s){for(const a of this.computed_renderers){if(a.level!=t)continue;const n=this.renderer_views.get(a);e.save(),(s||n.needs_clip)&&(e.beginPath(),e.rect(...i),e.clip()),n.render(),e.restore(),n.has_webgl&&n.needs_webgl_blit&&this.canvas_view.blit_webgl(e)}}_paint_layout(e,t){const{x:i,y:s,width:a,height:n}=t.bbox;e.strokeStyle="blue",e.strokeRect(i,s,a,n);for(const a of t)e.save(),t.absolute||e.translate(i,s),this._paint_layout(e,a),e.restore()}_map_hook(e,t){}_paint_empty(e,t){const[i,s,a,n]=[0,0,this.layout.bbox.width,this.layout.bbox.height],[o,l,r,_]=t;this.visuals.border_fill.doit&&(this.visuals.border_fill.set_value(e),e.fillRect(i,s,a,n),e.clearRect(o,l,r,_)),this.visuals.background_fill.doit&&(this.visuals.background_fill.set_value(e),e.fillRect(o,l,r,_))}_paint_outline(e,t){if(this.visuals.outline_line.doit){e.save(),this.visuals.outline_line.set_value(e);let[i,s,a,n]=t;i+a==this.layout.bbox.width&&(a-=1),s+n==this.layout.bbox.height&&(n-=1),e.strokeRect(i,s,a,n),e.restore()}}to_blob(){return this.canvas_view.to_blob()}export(e,t=!0){const i="png"==e?"canvas":"svg",s=new f.CanvasLayer(i,t),{width:a,height:n}=this.layout.bbox;s.resize(a,n);const{canvas:o}=this.canvas_view.compose();return s.ctx.drawImage(o,0,0),s}serializable_state(){const e=super.serializable_state(),{children:t}=e,i=(0,n.__rest)(e,["children"]),s=this.get_renderer_views().map((e=>e.serializable_state())).filter((e=>null!=e.bbox));return Object.assign(Object.assign({},i),{children:[...null!=t?t:[],...s]})}}i.PlotView=O,O.__name__="PlotView"}, +function _(t,n,e,o,u){o(),e.throttle=function(t,n){let e=null,o=0,u=!1;return function(){return new Promise(((r,i)=>{const l=function(){o=Date.now(),e=null,u=!1;try{t(),r()}catch(t){i(t)}},a=Date.now(),c=n-(a-o);c<=0&&!u?(null!=e&&clearTimeout(e),u=!0,requestAnimationFrame(l)):e||u?r():e=setTimeout((()=>requestAnimationFrame(l)),c)}))}}}, +function _(t,n,e,a,s){a();const o=t(63),r=t(19);class l{constructor(t){this.parent=t,this.invalidate_dataranges=!0}get frame(){return this.parent.frame}update(t,n){const{x_ranges:e,y_ranges:a}=this.frame;if(null==t){for(const[,t]of e)t.reset();for(const[,t]of a)t.reset();this.update_dataranges()}else{const s=[];for(const[n,a]of e)s.push([a,t.xrs.get(n)]);for(const[n,e]of a)s.push([e,t.yrs.get(n)]);(null==n?void 0:n.scrolling)&&this._update_ranges_together(s),this._update_ranges_individually(s,n)}}reset(){this.update(null)}_update_dataranges(t){const n=new Map,e=new Map;let a=!1;for(const[,n]of t.x_ranges)n instanceof o.DataRange1d&&"log"==n.scale_hint&&(a=!0);for(const[,n]of t.y_ranges)n instanceof o.DataRange1d&&"log"==n.scale_hint&&(a=!0);for(const t of this.parent.model.data_renderers){const s=this.parent.renderer_view(t);if(null==s)continue;const o=s.glyph_view.bounds();if(null!=o&&n.set(t,o),a){const n=s.glyph_view.log_bounds();null!=n&&e.set(t,n)}}let s=!1,l=!1;const i=t.x_target.span,d=t.y_target.span;let u;!1!==this.parent.model.match_aspect&&0!=i&&0!=d&&(u=1/this.parent.model.aspect_scale*(i/d));for(const[,a]of t.x_ranges){if(a instanceof o.DataRange1d){const t="log"==a.scale_hint?e:n;a.update(t,0,this.parent.model,u),a.follow&&(s=!0)}null!=a.bounds&&(l=!0)}for(const[,a]of t.y_ranges){if(a instanceof o.DataRange1d){const t="log"==a.scale_hint?e:n;a.update(t,1,this.parent.model,u),a.follow&&(s=!0)}null!=a.bounds&&(l=!0)}if(s&&l){r.logger.warn("Follow enabled so bounds are unset.");for(const[,n]of t.x_ranges)n.bounds=null;for(const[,n]of t.y_ranges)n.bounds=null}}update_dataranges(){this._update_dataranges(this.frame);for(const t of this.parent.model.renderers){const{coordinates:n}=t;null!=n&&this._update_dataranges(n)}null!=this.compute_initial()&&(this.invalidate_dataranges=!1)}compute_initial(){let t=!0;const{x_ranges:n,y_ranges:e}=this.frame,a=new Map,s=new Map;for(const[e,s]of n){const{start:n,end:o}=s;if(null==n||null==o||isNaN(n+o)){t=!1;break}a.set(e,{start:n,end:o})}if(t)for(const[n,a]of e){const{start:e,end:o}=a;if(null==e||null==o||isNaN(e+o)){t=!1;break}s.set(n,{start:e,end:o})}return t?{xrs:a,yrs:s}:(r.logger.warn("could not set initial ranges"),null)}_update_ranges_together(t){let n=1;for(const[e,a]of t)n=Math.min(n,this._get_weight_to_constrain_interval(e,a));if(n<1)for(const[e,a]of t)a.start=n*a.start+(1-n)*e.start,a.end=n*a.end+(1-n)*e.end}_update_ranges_individually(t,n){const e=!!(null==n?void 0:n.panning),a=!!(null==n?void 0:n.scrolling);let s=!1;for(const[n,o]of t){if(!a){const t=this._get_weight_to_constrain_interval(n,o);t<1&&(o.start=t*o.start+(1-t)*n.start,o.end=t*o.end+(1-t)*n.end)}if(null!=n.bounds&&"auto"!=n.bounds){const[t,r]=n.bounds,l=Math.abs(o.end-o.start);n.is_reversed?(null!=t&&t>=o.end&&(s=!0,o.end=t,(e||a)&&(o.start=t+l)),null!=r&&r<=o.start&&(s=!0,o.start=r,(e||a)&&(o.end=r-l))):(null!=t&&t>=o.start&&(s=!0,o.start=t,(e||a)&&(o.end=t+l)),null!=r&&r<=o.end&&(s=!0,o.end=r,(e||a)&&(o.start=r-l)))}}if(!(a&&s&&(null==n?void 0:n.maintain_focus)))for(const[n,e]of t)n.have_updated_interactively=!0,n.start==e.start&&n.end==e.end||n.setv(e)}_get_weight_to_constrain_interval(t,n){const{min_interval:e}=t;let{max_interval:a}=t;if(null!=t.bounds&&"auto"!=t.bounds){const[n,e]=t.bounds;if(null!=n&&null!=e){const t=Math.abs(e-n);a=null!=a?Math.min(a,t):t}}let s=1;if(null!=e||null!=a){const o=Math.abs(t.end-t.start),r=Math.abs(n.end-n.start);null!=e&&e>0&&r0&&r>a&&(s=(a-o)/(r-o)),s=Math.max(0,Math.min(1,s))}return s}}e.RangeManager=l,l.__name__="RangeManager"}, +function _(t,i,s,e,n){e();const h=t(15);class a{constructor(t,i){this.parent=t,this.initial_state=i,this.changed=new h.Signal0(this.parent,"state_changed"),this.history=[],this.index=-1}_do_state_change(t){const i=null!=this.history[t]?this.history[t].state:this.initial_state;return null!=i.range&&this.parent.update_range(i.range),null!=i.selection&&this.parent.update_selection(i.selection),i}push(t,i){const{history:s,index:e}=this,n=null!=s[e]?s[e].state:{},h=Object.assign(Object.assign(Object.assign({},this.initial_state),n),i);this.history=this.history.slice(0,this.index+1),this.history.push({type:t,state:h}),this.index=this.history.length-1,this.changed.emit()}clear(){this.history=[],this.index=-1,this.changed.emit()}undo(){if(this.can_undo){this.index-=1;const t=this._do_state_change(this.index);return this.changed.emit(),t}return null}redo(){if(this.can_redo){this.index+=1;const t=this._do_state_change(this.index);return this.changed.emit(),t}return null}get can_undo(){return this.index>=0}get can_redo(){return this.indexm.emit();const s=encodeURIComponent,o=document.createElement("script");o.type="text/javascript",o.src=`https://maps.googleapis.com/maps/api/js?v=${s(e)}&key=${s(t)}&callback=_bokeh_gmaps_callback`,document.body.appendChild(o)}(t,e)}m.connect((()=>this.request_paint("everything")))}this.unpause()}remove(){(0,p.remove)(this.map_el),super.remove()}update_range(t,e){var s,o;if(null==t)this.map.setCenter({lat:this.initial_lat,lng:this.initial_lng}),this.map.setOptions({zoom:this.initial_zoom}),super.update_range(null,e);else if(null!=t.sdx||null!=t.sdy)this.map.panBy(null!==(s=t.sdx)&&void 0!==s?s:0,null!==(o=t.sdy)&&void 0!==o?o:0),super.update_range(t,e);else if(null!=t.factor){if(10!==this.zoom_count)return void(this.zoom_count+=1);this.zoom_count=0,this.pause(),super.update_range(t,e);const s=t.factor<0?-1:1,o=this.map.getZoom();if(null!=o){const t=o+s;if(t>=2){this.map.setZoom(t);const[e,s]=this._get_projected_bounds();s-e<0&&this.map.setZoom(o)}}this.unpause()}this._set_bokeh_ranges()}_build_map(){const{maps:t}=google;this.map_types={satellite:t.MapTypeId.SATELLITE,terrain:t.MapTypeId.TERRAIN,roadmap:t.MapTypeId.ROADMAP,hybrid:t.MapTypeId.HYBRID};const e=this.model.map_options,s={center:new t.LatLng(e.lat,e.lng),zoom:e.zoom,disableDefaultUI:!0,mapTypeId:this.map_types[e.map_type],scaleControl:e.scale_control,tilt:e.tilt};null!=e.styles&&(s.styles=JSON.parse(e.styles)),this.map_el=(0,p.div)({style:{position:"absolute"}}),this.canvas_view.add_underlay(this.map_el),this.map=new t.Map(this.map_el,s),t.event.addListener(this.map,"idle",(()=>this._set_bokeh_ranges())),t.event.addListener(this.map,"bounds_changed",(()=>this._set_bokeh_ranges())),t.event.addListenerOnce(this.map,"tilesloaded",(()=>this._render_finished())),this.connect(this.model.properties.map_options.change,(()=>this._update_options())),this.connect(this.model.map_options.properties.styles.change,(()=>this._update_styles())),this.connect(this.model.map_options.properties.lat.change,(()=>this._update_center("lat"))),this.connect(this.model.map_options.properties.lng.change,(()=>this._update_center("lng"))),this.connect(this.model.map_options.properties.zoom.change,(()=>this._update_zoom())),this.connect(this.model.map_options.properties.map_type.change,(()=>this._update_map_type())),this.connect(this.model.map_options.properties.scale_control.change,(()=>this._update_scale_control())),this.connect(this.model.map_options.properties.tilt.change,(()=>this._update_tilt()))}_render_finished(){this._tiles_loaded=!0,this.notify_finished()}has_finished(){return super.has_finished()&&!0===this._tiles_loaded}_get_latlon_bounds(){const t=this.map.getBounds(),e=t.getNorthEast(),s=t.getSouthWest();return[s.lng(),e.lng(),s.lat(),e.lat()]}_get_projected_bounds(){const[t,e,s,o]=this._get_latlon_bounds(),[i,a]=l.wgs84_mercator.compute(t,s),[n,p]=l.wgs84_mercator.compute(e,o);return[i,n,a,p]}_set_bokeh_ranges(){const[t,e,s,o]=this._get_projected_bounds();this.frame.x_range.setv({start:t,end:e}),this.frame.y_range.setv({start:s,end:o})}_update_center(t){var e;const s=null===(e=this.map.getCenter())||void 0===e?void 0:e.toJSON();null!=s&&(s[t]=this.model.map_options[t],this.map.setCenter(s),this._set_bokeh_ranges())}_update_map_type(){this.map.setOptions({mapTypeId:this.map_types[this.model.map_options.map_type]})}_update_scale_control(){this.map.setOptions({scaleControl:this.model.map_options.scale_control})}_update_tilt(){this.map.setOptions({tilt:this.model.map_options.tilt})}_update_options(){this._update_styles(),this._update_center("lat"),this._update_center("lng"),this._update_zoom(),this._update_map_type()}_update_styles(){this.map.setOptions({styles:JSON.parse(this.model.map_options.styles)})}_update_zoom(){this.map.setOptions({zoom:this.model.map_options.zoom}),this._set_bokeh_ranges()}_map_hook(t,e){if(null==this.map&&"undefined"!=typeof google&&null!=google.maps&&this._build_map(),null!=this.map_el){const[t,s,o,i]=e;this.map_el.style.top=`${s}px`,this.map_el.style.left=`${t}px`,this.map_el.style.width=`${o}px`,this.map_el.style.height=`${i}px`}}_paint_empty(t,e){const s=this.layout.bbox.width,o=this.layout.bbox.height,[i,a,n,p]=e;t.clearRect(0,0,s,o),t.beginPath(),t.moveTo(0,0),t.lineTo(0,o),t.lineTo(s,o),t.lineTo(s,0),t.lineTo(0,0),t.moveTo(i,a),t.lineTo(i+n,a),t.lineTo(i+n,a+p),t.lineTo(i,a+p),t.lineTo(i,a),t.closePath(),null!=this.model.border_fill_color&&(t.fillStyle=(0,_.color2css)(this.model.border_fill_color),t.fill())}}s.GMapPlotView=d,d.__name__="GMapPlotView"}, +function _(t,_,n,o,r){o();(0,t(1).__exportStar)(t(132),n)}, +function _(e,r,d,n,R){n(),R("GlyphRenderer",e(175).GlyphRenderer),R("GraphRenderer",e(339).GraphRenderer),R("GuideRenderer",e(129).GuideRenderer);var G=e(41);R("Renderer",G.Renderer),R("RendererGroup",G.RendererGroup)}, +function _(e,r,i,n,t){var o;n();const s=e(176),d=e(175),a=e(303),p=e(302),l=e(113),_=e(178),h=e(283),y=e(286);class c extends s.DataRendererView{get glyph_view(){return this.node_view.glyph}async lazy_initialize(){await super.lazy_initialize(),this.apply_coordinates();const{parent:e}=this,{edge_renderer:r,node_renderer:i}=this.model;this.edge_view=await(0,l.build_view)(r,{parent:e}),this.node_view=await(0,l.build_view)(i,{parent:e})}connect_signals(){super.connect_signals(),this.connect(this.model.layout_provider.change,(()=>{this.apply_coordinates(),this.edge_view.set_data(),this.node_view.set_data(),this.request_render()}))}apply_coordinates(){const{edge_renderer:e,node_renderer:r}=this.model;if(!(e.glyph instanceof h.MultiLine||e.glyph instanceof y.Patches))throw new Error(`${this}.edge_renderer.glyph must be a MultiLine glyph`);if(!(r.glyph instanceof _.XYGlyph))throw new Error(`${this}.node_renderer.glyph must be a XYGlyph glyph`);const i=this.model.layout_provider.edge_coordinates,n=this.model.layout_provider.node_coordinates;e.glyph.properties.xs.internal=!0,e.glyph.properties.ys.internal=!0,r.glyph.properties.x.internal=!0,r.glyph.properties.y.internal=!0,e.glyph.xs={expr:i.x},e.glyph.ys={expr:i.y},r.glyph.x={expr:n.x},r.glyph.y={expr:n.y}}remove(){this.edge_view.remove(),this.node_view.remove(),super.remove()}_render(){this.edge_view.render(),this.node_view.render()}renderer_view(e){if(e instanceof d.GlyphRenderer){if(e==this.edge_view.model)return this.edge_view;if(e==this.node_view.model)return this.node_view}return super.renderer_view(e)}}i.GraphRendererView=c,c.__name__="GraphRendererView";class g extends s.DataRenderer{constructor(e){super(e)}get_selection_manager(){return this.node_renderer.data_source.selection_manager}}i.GraphRenderer=g,o=g,g.__name__="GraphRenderer",o.prototype.default_view=c,o.define((({Ref:e})=>({layout_provider:[e(a.LayoutProvider)],node_renderer:[e(d.GlyphRenderer)],edge_renderer:[e(d.GlyphRenderer)],selection_policy:[e(p.GraphHitTestPolicy),()=>new p.NodesOnly],inspection_policy:[e(p.GraphHitTestPolicy),()=>new p.NodesOnly]})))}, +function _(e,t,n,o,c){o();(0,e(1).__exportStar)(e(74),n),c("Selection",e(72).Selection)}, +function _(a,e,S,o,r){o(),r("ServerSentDataSource",a(342).ServerSentDataSource),r("AjaxDataSource",a(344).AjaxDataSource),r("ColumnDataSource",a(75).ColumnDataSource),r("ColumnarDataSource",a(70).ColumnarDataSource),r("CDSView",a(190).CDSView),r("DataSource",a(71).DataSource),r("GeoJSONDataSource",a(345).GeoJSONDataSource),r("WebDataSource",a(343).WebDataSource)}, +function _(e,t,i,a,s){a();const n=e(343);class r extends n.WebDataSource{constructor(e){super(e),this.initialized=!1}setup(){if(!this.initialized){this.initialized=!0;new EventSource(this.data_url).onmessage=e=>{var t;this.load_data(JSON.parse(e.data),this.mode,null!==(t=this.max_size)&&void 0!==t?t:void 0)}}}}i.ServerSentDataSource=r,r.__name__="ServerSentDataSource"}, +function _(e,t,a,n,r){var s;n();const l=e(75),o=e(20);class c extends l.ColumnDataSource{constructor(e){super(e)}get_column(e){const t=this.data[e];return null!=t?t:[]}get_length(){var e;return null!==(e=super.get_length())&&void 0!==e?e:0}initialize(){super.initialize(),this.setup()}load_data(e,t,a){const{adapter:n}=this;let r;switch(r=null!=n?n.execute(this,{response:e}):e,t){case"replace":this.data=r;break;case"append":{const e=this.data;for(const t of this.columns()){const n=Array.from(e[t]),s=Array.from(r[t]),l=n.concat(s);r[t]=null!=a?l.slice(-a):l}this.data=r;break}}}}a.WebDataSource=c,s=c,c.__name__="WebDataSource",s.define((({Any:e,Int:t,String:a,Nullable:n})=>({max_size:[n(t),null],mode:[o.UpdateMode,"replace"],adapter:[n(e),null],data_url:[a]})))}, +function _(t,e,i,s,a){var n;s();const r=t(343),o=t(20),l=t(19),d=t(13);class h extends r.WebDataSource{constructor(t){super(t),this.interval=null,this.initialized=!1}destroy(){null!=this.interval&&clearInterval(this.interval),super.destroy()}setup(){if(!this.initialized&&(this.initialized=!0,this.get_data(this.mode),null!=this.polling_interval)){const t=()=>this.get_data(this.mode,this.max_size,this.if_modified);this.interval=setInterval(t,this.polling_interval)}}get_data(t,e=null,i=!1){const s=this.prepare_request();s.addEventListener("load",(()=>this.do_load(s,t,null!=e?e:void 0))),s.addEventListener("error",(()=>this.do_error(s))),s.send()}prepare_request(){const t=new XMLHttpRequest;t.open(this.method,this.data_url,!0),t.withCredentials=!1,t.setRequestHeader("Content-Type",this.content_type);const e=this.http_headers;for(const[i,s]of(0,d.entries)(e))t.setRequestHeader(i,s);return t}do_load(t,e,i){if(200===t.status){const s=JSON.parse(t.responseText);this.load_data(s,e,i)}}do_error(t){l.logger.error(`Failed to fetch JSON from ${this.data_url} with code ${t.status}`)}}i.AjaxDataSource=h,n=h,h.__name__="AjaxDataSource",n.define((({Boolean:t,Int:e,String:i,Dict:s,Nullable:a})=>({polling_interval:[a(e),null],content_type:[i,"application/json"],http_headers:[s(i),{}],method:[o.HTTPMethod,"POST"],if_modified:[t,!1]})))}, +function _(e,t,o,r,n){var s;r();const a=e(70),i=e(19),l=e(9),c=e(13);function _(e){return null!=e?e:NaN}const{hasOwnProperty:g}=Object.prototype;class u extends a.ColumnarDataSource{constructor(e){super(e)}initialize(){super.initialize(),this._update_data()}connect_signals(){super.connect_signals(),this.connect(this.properties.geojson.change,(()=>this._update_data()))}_update_data(){this.data=this.geojson_to_column_data()}_get_new_list_array(e){return(0,l.range)(0,e).map((e=>[]))}_get_new_nan_array(e){return(0,l.range)(0,e).map((e=>NaN))}_add_properties(e,t,o,r){var n;const s=null!==(n=e.properties)&&void 0!==n?n:{};for(const[e,n]of(0,c.entries)(s))g.call(t,e)||(t[e]=this._get_new_nan_array(r)),t[e][o]=_(n)}_add_geometry(e,t,o){function r(e,t){return e.concat([[NaN,NaN,NaN]]).concat(t)}switch(e.type){case"Point":{const[r,n,s]=e.coordinates;t.x[o]=r,t.y[o]=n,t.z[o]=_(s);break}case"LineString":{const{coordinates:r}=e;for(let e=0;e1&&i.logger.warn("Bokeh does not support Polygons with holes in, only exterior ring used.");const r=e.coordinates[0];for(let e=0;e1&&i.logger.warn("Bokeh does not support Polygons with holes in, only exterior ring used."),n.push(t[0]);const s=n.reduce(r);for(let e=0;e({geojson:[e]}))),s.internal((({Dict:e,Arrayable:t})=>({data:[e(t),{}]})))}, +function _(e,r,T,o,S){o(),S("BBoxTileSource",e(347).BBoxTileSource),S("MercatorTileSource",e(348).MercatorTileSource),S("QUADKEYTileSource",e(351).QUADKEYTileSource),S("TileRenderer",e(352).TileRenderer),S("TileSource",e(349).TileSource),S("TMSTileSource",e(355).TMSTileSource),S("WMTSTileSource",e(353).WMTSTileSource)}, +function _(e,t,r,o,l){var i;o();const n=e(348);class s extends n.MercatorTileSource{constructor(e){super(e)}get_image_url(e,t,r){const o=this.string_lookup_replace(this.url,this.extra_url_vars);let l,i,n,s;return this.use_latlon?[i,s,l,n]=this.get_tile_geographic_bounds(e,t,r):[i,s,l,n]=this.get_tile_meter_bounds(e,t,r),o.replace("{XMIN}",i.toString()).replace("{YMIN}",s.toString()).replace("{XMAX}",l.toString()).replace("{YMAX}",n.toString())}}r.BBoxTileSource=s,i=s,s.__name__="BBoxTileSource",i.define((({Boolean:e})=>({use_latlon:[e,!1]})))}, +function _(t,e,i,_,s){var r;_();const o=t(349),n=t(9),l=t(350);class u extends o.TileSource{constructor(t){super(t)}initialize(){super.initialize(),this._resolutions=(0,n.range)(this.min_zoom,this.max_zoom+1).map((t=>this.get_resolution(t)))}_computed_initial_resolution(){return null!=this.initial_resolution?this.initial_resolution:2*Math.PI*6378137/this.tile_size}is_valid_tile(t,e,i){return!(!this.wrap_around&&(t<0||t>=2**i))&&!(e<0||e>=2**i)}parent_by_tile_xyz(t,e,i){const _=this.tile_xyz_to_quadkey(t,e,i),s=_.substring(0,_.length-1);return this.quadkey_to_tile_xyz(s)}get_resolution(t){return this._computed_initial_resolution()/2**t}get_resolution_by_extent(t,e,i){return[(t[2]-t[0])/i,(t[3]-t[1])/e]}get_level_by_extent(t,e,i){const _=(t[2]-t[0])/i,s=(t[3]-t[1])/e,r=Math.max(_,s);let o=0;for(const t of this._resolutions){if(r>t){if(0==o)return 0;if(o>0)return o-1}o+=1}return o-1}get_closest_level_by_extent(t,e,i){const _=(t[2]-t[0])/i,s=(t[3]-t[1])/e,r=Math.max(_,s),o=this._resolutions.reduce((function(t,e){return Math.abs(e-r)e?(u=o-s,a*=t):(u*=e,a=n-r)}const h=(u-(o-s))/2,c=(a-(n-r))/2;return[s-h,r-c,o+h,n+c]}tms_to_wmts(t,e,i){return[t,2**i-1-e,i]}wmts_to_tms(t,e,i){return[t,2**i-1-e,i]}pixels_to_meters(t,e,i){const _=this.get_resolution(i);return[t*_-this.x_origin_offset,e*_-this.y_origin_offset]}meters_to_pixels(t,e,i){const _=this.get_resolution(i);return[(t+this.x_origin_offset)/_,(e+this.y_origin_offset)/_]}pixels_to_tile(t,e){let i=Math.ceil(t/this.tile_size);i=0===i?i:i-1;return[i,Math.max(Math.ceil(e/this.tile_size)-1,0)]}pixels_to_raster(t,e,i){return[t,(this.tile_size<=l;t--)for(let i=n;i<=u;i++)this.is_valid_tile(i,t,e)&&h.push([i,t,e,this.get_tile_meter_bounds(i,t,e)]);return this.sort_tiles_from_center(h,[n,l,u,a]),h}quadkey_to_tile_xyz(t){let e=0,i=0;const _=t.length;for(let s=_;s>0;s--){const r=1<0;s--){const i=1<0;)if(s=s.substring(0,s.length-1),[t,e,i]=this.quadkey_to_tile_xyz(s),[t,e,i]=this.denormalize_xyz(t,e,i,_),this.tiles.has(this.tile_xyz_to_key(t,e,i)))return[t,e,i];return[0,0,0]}normalize_xyz(t,e,i){if(this.wrap_around){const _=2**i;return[(t%_+_)%_,e,i]}return[t,e,i]}denormalize_xyz(t,e,i,_){return[t+_*2**i,e,i]}denormalize_meters(t,e,i,_){return[t+2*_*Math.PI*6378137,e]}calculate_world_x_by_tile_xyz(t,e,i){return Math.floor(t/2**i)}}i.MercatorTileSource=u,r=u,u.__name__="MercatorTileSource",r.define((({Boolean:t})=>({snap_to_zoom:[t,!1],wrap_around:[t,!0]}))),r.override({x_origin_offset:20037508.34,y_origin_offset:20037508.34,initial_resolution:156543.03392804097})}, +function _(e,t,r,i,n){var l;i();const a=e(53),s=e(13);class c extends a.Model{constructor(e){super(e)}initialize(){super.initialize(),this.tiles=new Map,this._normalize_case()}connect_signals(){super.connect_signals(),this.connect(this.change,(()=>this._clear_cache()))}string_lookup_replace(e,t){let r=e;for(const[e,i]of(0,s.entries)(t))r=r.replace(`{${e}}`,i);return r}_normalize_case(){const e=this.url.replace("{x}","{X}").replace("{y}","{Y}").replace("{z}","{Z}").replace("{q}","{Q}").replace("{xmin}","{XMIN}").replace("{ymin}","{YMIN}").replace("{xmax}","{XMAX}").replace("{ymax}","{YMAX}");this.url=e}_clear_cache(){this.tiles=new Map}tile_xyz_to_key(e,t,r){return`${e}:${t}:${r}`}key_to_tile_xyz(e){const[t,r,i]=e.split(":").map((e=>parseInt(e)));return[t,r,i]}sort_tiles_from_center(e,t){const[r,i,n,l]=t,a=(n-r)/2+r,s=(l-i)/2+i;e.sort((function(e,t){return Math.sqrt((a-e[0])**2+(s-e[1])**2)-Math.sqrt((a-t[0])**2+(s-t[1])**2)}))}get_image_url(e,t,r){return this.string_lookup_replace(this.url,this.extra_url_vars).replace("{X}",e.toString()).replace("{Y}",t.toString()).replace("{Z}",r.toString())}}r.TileSource=c,l=c,c.__name__="TileSource",l.define((({Number:e,String:t,Dict:r,Nullable:i})=>({url:[t,""],tile_size:[e,256],max_zoom:[e,30],min_zoom:[e,0],extra_url_vars:[r(t),{}],attribution:[t,""],x_origin_offset:[e],y_origin_offset:[e],initial_resolution:[i(e),null]})))}, +function _(t,e,r,n,o){n();const c=t(78);function _(t,e){return c.wgs84_mercator.compute(t,e)}function g(t,e){return c.wgs84_mercator.invert(t,e)}r.geographic_to_meters=_,r.meters_to_geographic=g,r.geographic_extent_to_meters=function(t){const[e,r,n,o]=t,[c,g]=_(e,r),[i,u]=_(n,o);return[c,g,i,u]},r.meters_extent_to_geographic=function(t){const[e,r,n,o]=t,[c,_]=g(e,r),[i,u]=g(n,o);return[c,_,i,u]}}, +function _(e,t,r,s,_){s();const o=e(348);class c extends o.MercatorTileSource{constructor(e){super(e)}get_image_url(e,t,r){const s=this.string_lookup_replace(this.url,this.extra_url_vars),[_,o,c]=this.tms_to_wmts(e,t,r),i=this.tile_xyz_to_quadkey(_,o,c);return s.replace("{Q}",i)}}r.QUADKEYTileSource=c,c.__name__="QUADKEYTileSource"}, +function _(t,e,i,s,_){s();const n=t(1);var a;const o=t(349),r=t(353),h=t(41),l=t(58),d=t(43),m=t(136),c=t(9),u=t(8),p=(0,n.__importStar)(t(354));class g extends h.RendererView{initialize(){this._tiles=[],super.initialize()}connect_signals(){super.connect_signals(),this.connect(this.model.change,(()=>this.request_render())),this.connect(this.model.tile_source.change,(()=>this.request_render()))}remove(){null!=this.attribution_el&&(0,d.removeElement)(this.attribution_el),super.remove()}styles(){return[...super.styles(),p.default]}get_extent(){return[this.x_range.start,this.y_range.start,this.x_range.end,this.y_range.end]}get map_plot(){return this.plot_model}get map_canvas(){return this.layer.ctx}get map_frame(){return this.plot_view.frame}get x_range(){return this.map_plot.x_range}get y_range(){return this.map_plot.y_range}_set_data(){this.extent=this.get_extent(),this._last_height=void 0,this._last_width=void 0}_update_attribution(){null!=this.attribution_el&&(0,d.removeElement)(this.attribution_el);const{attribution:t}=this.model.tile_source;if((0,u.isString)(t)&&t.length>0){const{layout:e,frame:i}=this.plot_view,s=e.bbox.width-i.bbox.right,_=e.bbox.height-i.bbox.bottom,n=i.bbox.width;this.attribution_el=(0,d.div)({class:p.tile_attribution,style:{position:"absolute",right:`${s}px`,bottom:`${_}px`,"max-width":n-4+"px",padding:"2px","background-color":"rgba(255,255,255,0.5)","font-size":"9px","line-height":"1.05","white-space":"nowrap",overflow:"hidden","text-overflow":"ellipsis"}}),this.plot_view.canvas_view.add_event(this.attribution_el),this.attribution_el.innerHTML=t,this.attribution_el.title=this.attribution_el.textContent.replace(/\s*\n\s*/g," ")}}_map_data(){this.initial_extent=this.get_extent();const t=this.model.tile_source.get_level_by_extent(this.initial_extent,this.map_frame.bbox.height,this.map_frame.bbox.width),e=this.model.tile_source.snap_to_zoom_level(this.initial_extent,this.map_frame.bbox.height,this.map_frame.bbox.width,t);this.x_range.start=e[0],this.y_range.start=e[1],this.x_range.end=e[2],this.y_range.end=e[3],this.x_range instanceof l.Range1d&&(this.x_range.reset_start=e[0],this.x_range.reset_end=e[2]),this.y_range instanceof l.Range1d&&(this.y_range.reset_start=e[1],this.y_range.reset_end=e[3]),this._update_attribution()}_create_tile(t,e,i,s,_=!1){const n=this.model.tile_source.tile_xyz_to_quadkey(t,e,i),a=this.model.tile_source.tile_xyz_to_key(t,e,i);if(this.model.tile_source.tiles.has(a))return;const[o,r,h]=this.model.tile_source.normalize_xyz(t,e,i),l=this.model.tile_source.get_image_url(o,r,h),d={img:void 0,tile_coords:[t,e,i],normalized_coords:[o,r,h],quadkey:n,cache_key:a,bounds:s,loaded:!1,finished:!1,x_coord:s[0],y_coord:s[3]};this.model.tile_source.tiles.set(a,d),this._tiles.push(d),new m.ImageLoader(l,{loaded:t=>{Object.assign(d,{img:t,loaded:!0}),_?(d.finished=!0,this.notify_finished()):this.request_render()},failed(){d.finished=!0}})}_enforce_aspect_ratio(){if(this._last_height!==this.map_frame.bbox.height||this._last_width!==this.map_frame.bbox.width){const t=this.get_extent(),e=this.model.tile_source.get_level_by_extent(t,this.map_frame.bbox.height,this.map_frame.bbox.width),i=this.model.tile_source.snap_to_zoom_level(t,this.map_frame.bbox.height,this.map_frame.bbox.width,e);this.x_range.setv({start:i[0],end:i[2]}),this.y_range.setv({start:i[1],end:i[3]}),this.extent=i,this._last_height=this.map_frame.bbox.height,this._last_width=this.map_frame.bbox.width}}has_finished(){if(!super.has_finished())return!1;if(0==this._tiles.length)return!1;for(const t of this._tiles)if(!t.finished)return!1;return!0}_render(){null==this.map_initialized&&(this._set_data(),this._map_data(),this.map_initialized=!0),this._enforce_aspect_ratio(),this._update(),null!=this.prefetch_timer&&clearTimeout(this.prefetch_timer),this.prefetch_timer=setTimeout(this._prefetch_tiles.bind(this),500),this.has_finished()&&this.notify_finished()}_draw_tile(t){const e=this.model.tile_source.tiles.get(t);if(null!=e&&e.loaded){const[[t],[i]]=this.coordinates.map_to_screen([e.bounds[0]],[e.bounds[3]]),[[s],[_]]=this.coordinates.map_to_screen([e.bounds[2]],[e.bounds[1]]),n=s-t,a=_-i,o=t,r=i,h=this.map_canvas.getImageSmoothingEnabled();this.map_canvas.setImageSmoothingEnabled(this.model.smoothing),this.map_canvas.drawImage(e.img,o,r,n,a),this.map_canvas.setImageSmoothingEnabled(h),e.finished=!0}}_set_rect(){const t=this.plot_model.outline_line_width,e=this.map_frame.bbox.left+t/2,i=this.map_frame.bbox.top+t/2,s=this.map_frame.bbox.width-t,_=this.map_frame.bbox.height-t;this.map_canvas.rect(e,i,s,_),this.map_canvas.clip()}_render_tiles(t){this.map_canvas.save(),this._set_rect(),this.map_canvas.globalAlpha=this.model.alpha;for(const e of t)this._draw_tile(e);this.map_canvas.restore()}_prefetch_tiles(){const{tile_source:t}=this.model,e=this.get_extent(),i=this.map_frame.bbox.height,s=this.map_frame.bbox.width,_=this.model.tile_source.get_level_by_extent(e,i,s),n=this.model.tile_source.get_tiles_by_extent(e,_);for(let e=0,i=Math.min(10,n.length);ei&&(s=this.extent,o=i,r=!0),r&&(this.x_range.setv({start:s[0],end:s[2]}),this.y_range.setv({start:s[1],end:s[3]})),this.extent=s;const h=t.get_tiles_by_extent(s,o),l=[],d=[],m=[],u=[];for(const e of h){const[i,s,n]=e,a=t.tile_xyz_to_key(i,s,n),o=t.tiles.get(a);if(null!=o&&o.loaded)d.push(a);else if(this.model.render_parents){const[e,a,o]=t.get_closest_parent_by_tile_xyz(i,s,n),r=t.tile_xyz_to_key(e,a,o),h=t.tiles.get(r);if(null!=h&&h.loaded&&!(0,c.includes)(m,r)&&m.push(r),_){const e=t.children_by_tile_xyz(i,s,n);for(const[i,s,_]of e){const e=t.tile_xyz_to_key(i,s,_);t.tiles.has(e)&&u.push(e)}}}null==o&&l.push(e)}this._render_tiles(m),this._render_tiles(u),this._render_tiles(d),null!=this.render_timer&&clearTimeout(this.render_timer),this.render_timer=setTimeout((()=>this._fetch_tiles(l)),65)}}i.TileRendererView=g,g.__name__="TileRendererView";class b extends h.Renderer{constructor(t){super(t)}}i.TileRenderer=b,a=b,b.__name__="TileRenderer",a.prototype.default_view=g,a.define((({Boolean:t,Number:e,Ref:i})=>({alpha:[e,1],smoothing:[t,!0],tile_source:[i(o.TileSource),()=>new r.WMTSTileSource],render_parents:[t,!0]}))),a.override({level:"image"})}, +function _(t,e,r,o,s){o();const c=t(348);class i extends c.MercatorTileSource{constructor(t){super(t)}get_image_url(t,e,r){const o=this.string_lookup_replace(this.url,this.extra_url_vars),[s,c,i]=this.tms_to_wmts(t,e,r);return o.replace("{X}",s.toString()).replace("{Y}",c.toString()).replace("{Z}",i.toString())}}r.WMTSTileSource=i,i.__name__="WMTSTileSource"}, +function _(t,o,i,b,r){b(),i.root="bk-root",i.tile_attribution="bk-tile-attribution",i.default=".bk-root .bk-tile-attribution a{color:black;}"}, +function _(e,r,t,c,o){c();const i=e(348);class l extends i.MercatorTileSource{constructor(e){super(e)}get_image_url(e,r,t){return this.string_lookup_replace(this.url,this.extra_url_vars).replace("{X}",e.toString()).replace("{Y}",r.toString()).replace("{Z}",t.toString())}}t.TMSTileSource=l,l.__name__="TMSTileSource"}, +function _(e,t,u,a,r){a(),r("CanvasTexture",e(357).CanvasTexture),r("ImageURLTexture",e(359).ImageURLTexture),r("Texture",e(358).Texture)}, +function _(t,e,n,c,s){var r;c();const o=t(358),a=t(34);class u extends o.Texture{constructor(t){super(t)}get func(){const t=(0,a.use_strict)(this.code);return new Function("ctx","color","scale","weight",t)}get_pattern(t,e,n){const c=document.createElement("canvas");c.width=e,c.height=e;const s=c.getContext("2d");return this.func.call(this,s,t,e,n),c}}n.CanvasTexture=u,r=u,u.__name__="CanvasTexture",r.define((({String:t})=>({code:[t]})))}, +function _(e,t,n,r,o){var i;r();const s=e(53),u=e(20);class c extends s.Model{constructor(e){super(e)}}n.Texture=c,i=c,c.__name__="Texture",i.define((()=>({repetition:[u.TextureRepetition,"repeat"]})))}, +function _(e,t,i,r,n){var a;r();const s=e(358),o=e(136);class u extends s.Texture{constructor(e){super(e)}initialize(){super.initialize(),this._loader=new o.ImageLoader(this.url)}get_pattern(e,t,i){const{_loader:r}=this;return this._loader.finished?r.image:r.promise}}i.ImageURLTexture=u,a=u,u.__name__="ImageURLTexture",a.define((({String:e})=>({url:[e]})))}, +function _(o,l,T,e,t){e(),t("ActionTool",o(238).ActionTool),t("CustomAction",o(361).CustomAction),t("HelpTool",o(239).HelpTool),t("RedoTool",o(362).RedoTool),t("ResetTool",o(363).ResetTool),t("SaveTool",o(364).SaveTool),t("UndoTool",o(365).UndoTool),t("ZoomInTool",o(366).ZoomInTool),t("ZoomOutTool",o(369).ZoomOutTool),t("ButtonTool",o(224).ButtonTool),t("EditTool",o(370).EditTool),t("BoxEditTool",o(371).BoxEditTool),t("FreehandDrawTool",o(372).FreehandDrawTool),t("PointDrawTool",o(373).PointDrawTool),t("PolyDrawTool",o(374).PolyDrawTool),t("PolyTool",o(375).PolyTool),t("PolyEditTool",o(376).PolyEditTool),t("BoxSelectTool",o(377).BoxSelectTool),t("BoxZoomTool",o(379).BoxZoomTool),t("GestureTool",o(223).GestureTool),t("LassoSelectTool",o(380).LassoSelectTool),t("LineEditTool",o(382).LineEditTool),t("PanTool",o(384).PanTool),t("PolySelectTool",o(381).PolySelectTool),t("RangeTool",o(385).RangeTool),t("SelectTool",o(378).SelectTool),t("TapTool",o(386).TapTool),t("WheelPanTool",o(387).WheelPanTool),t("WheelZoomTool",o(388).WheelZoomTool),t("CrosshairTool",o(389).CrosshairTool),t("CustomJSHover",o(390).CustomJSHover),t("HoverTool",o(391).HoverTool),t("InspectTool",o(232).InspectTool),t("Tool",o(222).Tool),t("ToolProxy",o(394).ToolProxy),t("Toolbar",o(221).Toolbar),t("ToolbarBase",o(233).ToolbarBase),t("ProxyToolbar",o(395).ProxyToolbar),t("ToolbarBox",o(395).ToolbarBox)}, +function _(t,o,e,s,n){var c;s();const i=t(238);class u extends i.ActionToolButtonView{css_classes(){return super.css_classes().concat("bk-toolbar-button-custom-action")}}e.CustomActionButtonView=u,u.__name__="CustomActionButtonView";class l extends i.ActionToolView{doit(){var t;null===(t=this.model.callback)||void 0===t||t.execute(this.model)}}e.CustomActionView=l,l.__name__="CustomActionView";class a extends i.ActionTool{constructor(t){super(t),this.tool_name="Custom Action",this.button_view=u}}e.CustomAction=a,c=a,a.__name__="CustomAction",c.prototype.default_view=l,c.define((({Any:t,String:o,Nullable:e})=>({callback:[e(t)],icon:[o]}))),c.override({description:"Perform a Custom Action"})}, +function _(e,o,t,i,s){var n;i();const l=e(238),_=e(228);class d extends l.ActionToolView{connect_signals(){super.connect_signals(),this.connect(this.plot_view.state.changed,(()=>this.model.disabled=!this.plot_view.state.can_redo))}doit(){const e=this.plot_view.state.redo();null!=(null==e?void 0:e.range)&&this.plot_view.trigger_ranges_update_event()}}t.RedoToolView=d,d.__name__="RedoToolView";class a extends l.ActionTool{constructor(e){super(e),this.tool_name="Redo",this.icon=_.tool_icon_redo}}t.RedoTool=a,n=a,a.__name__="RedoTool",n.prototype.default_view=d,n.override({disabled:!0}),n.register_alias("redo",(()=>new a))}, +function _(e,o,t,s,i){var _;s();const n=e(238),l=e(228);class c extends n.ActionToolView{doit(){this.plot_view.reset()}}t.ResetToolView=c,c.__name__="ResetToolView";class r extends n.ActionTool{constructor(e){super(e),this.tool_name="Reset",this.icon=l.tool_icon_reset}}t.ResetTool=r,_=r,r.__name__="ResetTool",_.prototype.default_view=c,_.register_alias("reset",(()=>new r))}, +function _(e,o,t,a,i){var s;a();const c=e(238),n=e(228);class l extends c.ActionToolView{async copy(){const e=await this.plot_view.to_blob(),o=new ClipboardItem({[e.type]:Promise.resolve(e)});await navigator.clipboard.write([o])}async save(e){const o=await this.plot_view.to_blob(),t=document.createElement("a");t.href=URL.createObjectURL(o),t.download=e,t.target="_blank",t.dispatchEvent(new MouseEvent("click"))}doit(e="save"){switch(e){case"save":this.save("bokeh_plot");break;case"copy":this.copy()}}}t.SaveToolView=l,l.__name__="SaveToolView";class r extends c.ActionTool{constructor(e){super(e),this.tool_name="Save",this.icon=n.tool_icon_save}get menu(){return[{icon:"bk-tool-icon-copy-to-clipboard",tooltip:"Copy image to clipboard",if:()=>"undefined"!=typeof ClipboardItem,handler:()=>{this.do.emit("copy")}}]}}t.SaveTool=r,s=r,r.__name__="SaveTool",s.prototype.default_view=l,s.register_alias("save",(()=>new r))}, +function _(o,e,t,n,i){var s;n();const l=o(238),_=o(228);class d extends l.ActionToolView{connect_signals(){super.connect_signals(),this.connect(this.plot_view.state.changed,(()=>this.model.disabled=!this.plot_view.state.can_undo))}doit(){const o=this.plot_view.state.undo();null!=(null==o?void 0:o.range)&&this.plot_view.trigger_ranges_update_event()}}t.UndoToolView=d,d.__name__="UndoToolView";class a extends l.ActionTool{constructor(o){super(o),this.tool_name="Undo",this.icon=_.tool_icon_undo}}t.UndoTool=a,s=a,a.__name__="UndoTool",s.prototype.default_view=d,s.override({disabled:!0}),s.register_alias("undo",(()=>new a))}, +function _(o,n,e,i,s){var t;i();const _=o(367),m=o(228);class a extends _.ZoomBaseToolView{}e.ZoomInToolView=a,a.__name__="ZoomInToolView";class l extends _.ZoomBaseTool{constructor(o){super(o),this.sign=1,this.tool_name="Zoom In",this.icon=m.tool_icon_zoom_in}}e.ZoomInTool=l,t=l,l.__name__="ZoomInTool",t.prototype.default_view=a,t.register_alias("zoom_in",(()=>new l({dimensions:"both"}))),t.register_alias("xzoom_in",(()=>new l({dimensions:"width"}))),t.register_alias("yzoom_in",(()=>new l({dimensions:"height"})))}, +function _(o,t,e,i,s){var n;i();const a=o(238),_=o(20),l=o(368);class m extends a.ActionToolView{doit(){var o;const t=this.plot_view.frame,e=this.model.dimensions,i="width"==e||"both"==e,s="height"==e||"both"==e,n=(0,l.scale_range)(t,this.model.sign*this.model.factor,i,s);this.plot_view.state.push("zoom_out",{range:n}),this.plot_view.update_range(n,{scrolling:!0,maintain_focus:this.model.maintain_focus}),null===(o=this.model.document)||void 0===o||o.interactive_start(this.plot_model),this.plot_view.trigger_ranges_update_event()}}e.ZoomBaseToolView=m,m.__name__="ZoomBaseToolView";class h extends a.ActionTool{constructor(o){super(o),this.maintain_focus=!0}get tooltip(){return this._get_dim_tooltip(this.dimensions)}}e.ZoomBaseTool=h,n=h,h.__name__="ZoomBaseTool",n.define((({Percent:o})=>({factor:[o,.1],dimensions:[_.Dimensions,"both"]})))}, +function _(n,t,o,r,s){r();const c=n(10);function e(n,t,o){const[r,s]=[n.start,n.end],c=null!=o?o:(s+r)/2;return[r-(r-c)*t,s-(s-c)*t]}function a(n,[t,o]){const r=new Map;for(const[s,c]of n){const[n,e]=c.r_invert(t,o);r.set(s,{start:n,end:e})}return r}o.scale_highlow=e,o.get_info=a,o.scale_range=function(n,t,o=!0,r=!0,s){t=(0,c.clamp)(t,-.9,.9);const l=o?t:0,[u,i]=e(n.bbox.h_range,l,null!=s?s.x:void 0),_=a(n.x_scales,[u,i]),f=r?t:0,[g,x]=e(n.bbox.v_range,f,null!=s?s.y:void 0);return{xrs:_,yrs:a(n.y_scales,[g,x]),factor:t}}}, +function _(o,e,t,i,s){var n;i();const _=o(367),a=o(228);class m extends _.ZoomBaseToolView{}t.ZoomOutToolView=m,m.__name__="ZoomOutToolView";class l extends _.ZoomBaseTool{constructor(o){super(o),this.sign=-1,this.tool_name="Zoom Out",this.icon=a.tool_icon_zoom_out}}t.ZoomOutTool=l,n=l,l.__name__="ZoomOutTool",n.prototype.default_view=m,n.define((({Boolean:o})=>({maintain_focus:[o,!0]}))),n.register_alias("zoom_out",(()=>new l({dimensions:"both"}))),n.register_alias("xzoom_out",(()=>new l({dimensions:"width"}))),n.register_alias("yzoom_out",(()=>new l({dimensions:"height"})))}, +function _(e,t,s,o,n){var r;o();const i=e(9),c=e(8),a=e(11),_=e(175),l=e(223);class d extends l.GestureToolView{constructor(){super(...arguments),this._mouse_in_frame=!0}_select_mode(e){const{shiftKey:t,ctrlKey:s}=e;return t||s?t&&!s?"append":!t&&s?"intersect":t&&s?"subtract":void(0,a.unreachable)():"replace"}_move_enter(e){this._mouse_in_frame=!0}_move_exit(e){this._mouse_in_frame=!1}_map_drag(e,t,s){if(!this.plot_view.frame.bbox.contains(e,t))return null;const o=this.plot_view.renderer_view(s);if(null==o)return null;return[o.coordinates.x_scale.invert(e),o.coordinates.y_scale.invert(t)]}_delete_selected(e){const t=e.data_source,s=t.selected.indices;s.sort();for(const e of t.columns()){const o=t.get_array(e);for(let e=0;e({custom_icon:[n(t),null],empty_value:[e],renderers:[s(o(_.GlyphRenderer)),[]]})))}, +function _(e,t,s,i,_){var o;i();const n=e(43),a=e(20),d=e(370),l=e(228);class r extends d.EditToolView{_tap(e){null==this._draw_basepoint&&null==this._basepoint&&this._select_event(e,this._select_mode(e),this.model.renderers)}_keyup(e){if(this.model.active&&this._mouse_in_frame)for(const t of this.model.renderers)if(e.keyCode===n.Keys.Backspace)this._delete_selected(t);else if(e.keyCode==n.Keys.Esc){t.data_source.selection_manager.clear()}}_set_extent([e,t],[s,i],_,o=!1){const n=this.model.renderers[0],a=this.plot_view.renderer_view(n);if(null==a)return;const d=n.glyph,l=n.data_source,[r,h]=a.coordinates.x_scale.r_invert(e,t),[p,u]=a.coordinates.y_scale.r_invert(s,i),[c,m]=[(r+h)/2,(p+u)/2],[f,b]=[h-r,u-p],[y,x]=[d.x.field,d.y.field],[w,v]=[d.width.field,d.height.field];if(_)this._pop_glyphs(l,this.model.num_objects),y&&l.get_array(y).push(c),x&&l.get_array(x).push(m),w&&l.get_array(w).push(f),v&&l.get_array(v).push(b),this._pad_empty_columns(l,[y,x,w,v]);else{const e=l.data[y].length-1;y&&(l.data[y][e]=c),x&&(l.data[x][e]=m),w&&(l.data[w][e]=f),v&&(l.data[v][e]=b)}this._emit_cds_changes(l,!0,!1,o)}_update_box(e,t=!1,s=!1){if(null==this._draw_basepoint)return;const i=[e.sx,e.sy],_=this.plot_view.frame,o=this.model.dimensions,n=this.model._get_dim_limits(this._draw_basepoint,i,_,o);if(null!=n){const[e,i]=n;this._set_extent(e,i,t,s)}}_doubletap(e){this.model.active&&(null!=this._draw_basepoint?(this._update_box(e,!1,!0),this._draw_basepoint=null):(this._draw_basepoint=[e.sx,e.sy],this._select_event(e,"append",this.model.renderers),this._update_box(e,!0,!1)))}_move(e){this._update_box(e,!1,!1)}_pan_start(e){if(e.shiftKey){if(null!=this._draw_basepoint)return;this._draw_basepoint=[e.sx,e.sy],this._update_box(e,!0,!1)}else{if(null!=this._basepoint)return;this._select_event(e,"append",this.model.renderers),this._basepoint=[e.sx,e.sy]}}_pan(e,t=!1,s=!1){if(e.shiftKey){if(null==this._draw_basepoint)return;this._update_box(e,t,s)}else{if(null==this._basepoint)return;this._drag_points(e,this.model.renderers)}}_pan_end(e){if(this._pan(e,!1,!0),e.shiftKey)this._draw_basepoint=null;else{this._basepoint=null;for(const e of this.model.renderers)this._emit_cds_changes(e.data_source,!1,!0,!0)}}}s.BoxEditToolView=r,r.__name__="BoxEditToolView";class h extends d.EditTool{constructor(e){super(e),this.tool_name="Box Edit Tool",this.icon=l.tool_icon_box_edit,this.event_type=["tap","pan","move"],this.default_order=1}}s.BoxEditTool=h,o=h,h.__name__="BoxEditTool",o.prototype.default_view=r,o.define((({Int:e})=>({dimensions:[a.Dimensions,"both"],num_objects:[e,0]})))}, +function _(e,t,a,s,r){var _;s();const d=e(43),o=e(8),n=e(370),i=e(228);class l extends n.EditToolView{_draw(e,t,a=!1){if(!this.model.active)return;const s=this.model.renderers[0],r=this._map_drag(e.sx,e.sy,s);if(null==r)return;const[_,d]=r,n=s.data_source,i=s.glyph,[l,h]=[i.xs.field,i.ys.field];if("new"==t)this._pop_glyphs(n,this.model.num_objects),l&&n.get_array(l).push([_]),h&&n.get_array(h).push([d]),this._pad_empty_columns(n,[l,h]);else if("add"==t){if(l){const e=n.data[l].length-1;let t=n.get_array(l)[e];(0,o.isArray)(t)||(t=Array.from(t),n.data[l][e]=t),t.push(_)}if(h){const e=n.data[h].length-1;let t=n.get_array(h)[e];(0,o.isArray)(t)||(t=Array.from(t),n.data[h][e]=t),t.push(d)}}this._emit_cds_changes(n,!0,!0,a)}_pan_start(e){this._draw(e,"new")}_pan(e){this._draw(e,"add")}_pan_end(e){this._draw(e,"add",!0)}_tap(e){this._select_event(e,this._select_mode(e),this.model.renderers)}_keyup(e){if(this.model.active&&this._mouse_in_frame)for(const t of this.model.renderers)e.keyCode===d.Keys.Esc?t.data_source.selection_manager.clear():e.keyCode===d.Keys.Backspace&&this._delete_selected(t)}}a.FreehandDrawToolView=l,l.__name__="FreehandDrawToolView";class h extends n.EditTool{constructor(e){super(e),this.tool_name="Freehand Draw Tool",this.icon=i.tool_icon_freehand_draw,this.event_type=["pan","tap"],this.default_order=3}}a.FreehandDrawTool=h,_=h,h.__name__="FreehandDrawTool",_.prototype.default_view=l,_.define((({Int:e})=>({num_objects:[e,0]}))),_.register_alias("freehand_draw",(()=>new h))}, +function _(e,t,s,o,a){var i;o();const n=e(43),_=e(370),r=e(228);class d extends _.EditToolView{_tap(e){if(this._select_event(e,this._select_mode(e),this.model.renderers).length||!this.model.add)return;const t=this.model.renderers[0],s=this._map_drag(e.sx,e.sy,t);if(null==s)return;const o=t.glyph,a=t.data_source,[i,n]=[o.x.field,o.y.field],[_,r]=s;this._pop_glyphs(a,this.model.num_objects),i&&a.get_array(i).push(_),n&&a.get_array(n).push(r),this._pad_empty_columns(a,[i,n]),a.change.emit(),a.data=a.data,a.properties.data.change.emit()}_keyup(e){if(this.model.active&&this._mouse_in_frame)for(const t of this.model.renderers)e.keyCode===n.Keys.Backspace?this._delete_selected(t):e.keyCode==n.Keys.Esc&&t.data_source.selection_manager.clear()}_pan_start(e){this.model.drag&&(this._select_event(e,"append",this.model.renderers),this._basepoint=[e.sx,e.sy])}_pan(e){this.model.drag&&null!=this._basepoint&&this._drag_points(e,this.model.renderers)}_pan_end(e){if(this.model.drag){this._pan(e);for(const e of this.model.renderers)this._emit_cds_changes(e.data_source,!1,!0,!0);this._basepoint=null}}}s.PointDrawToolView=d,d.__name__="PointDrawToolView";class l extends _.EditTool{constructor(e){super(e),this.tool_name="Point Draw Tool",this.icon=r.tool_icon_point_draw,this.event_type=["tap","pan","move"],this.default_order=2}}s.PointDrawTool=l,i=l,l.__name__="PointDrawTool",i.prototype.default_view=d,i.define((({Boolean:e,Int:t})=>({add:[e,!0],drag:[e,!0],num_objects:[t,0]})))}, +function _(e,t,s,i,a){var r;i();const o=e(43),n=e(8),d=e(375),_=e(228);class h extends d.PolyToolView{constructor(){super(...arguments),this._drawing=!1,this._initialized=!1}_tap(e){this._drawing?this._draw(e,"add",!0):this._select_event(e,this._select_mode(e),this.model.renderers)}_draw(e,t,s=!1){const i=this.model.renderers[0],a=this._map_drag(e.sx,e.sy,i);if(this._initialized||this.activate(),null==a)return;const[r,o]=this._snap_to_vertex(e,...a),d=i.data_source,_=i.glyph,[h,l]=[_.xs.field,_.ys.field];if("new"==t)this._pop_glyphs(d,this.model.num_objects),h&&d.get_array(h).push([r,r]),l&&d.get_array(l).push([o,o]),this._pad_empty_columns(d,[h,l]);else if("edit"==t){if(h){const e=d.data[h][d.data[h].length-1];e[e.length-1]=r}if(l){const e=d.data[l][d.data[l].length-1];e[e.length-1]=o}}else if("add"==t){if(h){const e=d.data[h].length-1;let t=d.get_array(h)[e];const s=t[t.length-1];t[t.length-1]=r,(0,n.isArray)(t)||(t=Array.from(t),d.data[h][e]=t),t.push(s)}if(l){const e=d.data[l].length-1;let t=d.get_array(l)[e];const s=t[t.length-1];t[t.length-1]=o,(0,n.isArray)(t)||(t=Array.from(t),d.data[l][e]=t),t.push(s)}}this._emit_cds_changes(d,!0,!1,s)}_show_vertices(){if(!this.model.active)return;const e=[],t=[];for(let s=0;sthis._show_vertices()))}this._initialized=!0}}deactivate(){this._drawing&&(this._remove(),this._drawing=!1),this.model.vertex_renderer&&this._hide_vertices()}}s.PolyDrawToolView=h,h.__name__="PolyDrawToolView";class l extends d.PolyTool{constructor(e){super(e),this.tool_name="Polygon Draw Tool",this.icon=_.tool_icon_poly_draw,this.event_type=["pan","tap","move"],this.default_order=3}}s.PolyDrawTool=l,r=l,l.__name__="PolyDrawTool",r.prototype.default_view=h,r.define((({Boolean:e,Int:t})=>({drag:[e,!0],num_objects:[t,0]})))}, +function _(e,r,t,s,o){var _;s();const d=e(8),i=e(370);class l extends i.EditToolView{_set_vertices(e,r){const t=this.model.vertex_renderer.glyph,s=this.model.vertex_renderer.data_source,[o,_]=[t.x.field,t.y.field];o&&((0,d.isArray)(e)?s.data[o]=e:t.x={value:e}),_&&((0,d.isArray)(r)?s.data[_]=r:t.y={value:r}),this._emit_cds_changes(s,!0,!0,!1)}_hide_vertices(){this._set_vertices([],[])}_snap_to_vertex(e,r,t){if(this.model.vertex_renderer){const s=this._select_event(e,"replace",[this.model.vertex_renderer]),o=this.model.vertex_renderer.data_source,_=this.model.vertex_renderer.glyph,[d,i]=[_.x.field,_.y.field];if(s.length){const e=o.selected.indices[0];d&&(r=o.data[d][e]),i&&(t=o.data[i][e]),o.selection_manager.clear()}}return[r,t]}}t.PolyToolView=l,l.__name__="PolyToolView";class n extends i.EditTool{constructor(e){super(e)}}t.PolyTool=n,_=n,n.__name__="PolyTool",_.define((({AnyRef:e})=>({vertex_renderer:[e()]})))}, +function _(e,t,s,r,i){var _;r();const d=e(43),n=e(8),l=e(375),a=e(228);class c extends l.PolyToolView{constructor(){super(...arguments),this._drawing=!1,this._cur_index=null}_doubletap(e){if(!this.model.active)return;const t=this._map_drag(e.sx,e.sy,this.model.vertex_renderer);if(null==t)return;const[s,r]=t,i=this._select_event(e,"replace",[this.model.vertex_renderer]),_=this.model.vertex_renderer.data_source,d=this.model.vertex_renderer.glyph,[n,l]=[d.x.field,d.y.field];if(i.length&&null!=this._selected_renderer){const e=_.selected.indices[0];this._drawing?(this._drawing=!1,_.selection_manager.clear()):(_.selected.indices=[e+1],n&&_.get_array(n).splice(e+1,0,s),l&&_.get_array(l).splice(e+1,0,r),this._drawing=!0),_.change.emit(),this._emit_cds_changes(this._selected_renderer.data_source)}else this._show_vertices(e)}_show_vertices(e){if(!this.model.active)return;const t=this.model.renderers[0],s=()=>this._update_vertices(t),r=null==t?void 0:t.data_source,i=this._select_event(e,"replace",this.model.renderers);if(!i.length)return this._set_vertices([],[]),this._selected_renderer=null,this._drawing=!1,this._cur_index=null,void(null!=r&&r.disconnect(r.properties.data.change,s));null!=r&&r.connect(r.properties.data.change,s),this._cur_index=i[0].data_source.selected.indices[0],this._update_vertices(i[0])}_update_vertices(e){const t=e.glyph,s=e.data_source,r=this._cur_index,[i,_]=[t.xs.field,t.ys.field];if(this._drawing)return;if(null==r&&(i||_))return;let d,l;i&&null!=r?(d=s.data[i][r],(0,n.isArray)(d)||(s.data[i][r]=d=Array.from(d))):d=t.xs.value,_&&null!=r?(l=s.data[_][r],(0,n.isArray)(l)||(s.data[_][r]=l=Array.from(l))):l=t.ys.value,this._selected_renderer=e,this._set_vertices(d,l)}_move(e){if(this._drawing&&null!=this._selected_renderer){const t=this.model.vertex_renderer,s=t.data_source,r=t.glyph,i=this._map_drag(e.sx,e.sy,t);if(null==i)return;let[_,d]=i;const n=s.selected.indices;[_,d]=this._snap_to_vertex(e,_,d),s.selected.indices=n;const[l,a]=[r.x.field,r.y.field],c=n[0];l&&(s.data[l][c]=_),a&&(s.data[a][c]=d),s.change.emit(),this._selected_renderer.data_source.change.emit()}}_tap(e){const t=this.model.vertex_renderer,s=this._map_drag(e.sx,e.sy,t);if(null==s)return;if(this._drawing&&this._selected_renderer){let[r,i]=s;const _=t.data_source,d=t.glyph,[n,l]=[d.x.field,d.y.field],a=_.selected.indices;[r,i]=this._snap_to_vertex(e,r,i);const c=a[0];if(_.selected.indices=[c+1],n){const e=_.get_array(n),t=e[c];e[c]=r,e.splice(c+1,0,t)}if(l){const e=_.get_array(l),t=e[c];e[c]=i,e.splice(c+1,0,t)}return _.change.emit(),void this._emit_cds_changes(this._selected_renderer.data_source,!0,!1,!0)}const r=this._select_mode(e);this._select_event(e,r,[t]),this._select_event(e,r,this.model.renderers)}_remove_vertex(){if(!this._drawing||!this._selected_renderer)return;const e=this.model.vertex_renderer,t=e.data_source,s=e.glyph,r=t.selected.indices[0],[i,_]=[s.x.field,s.y.field];i&&t.get_array(i).splice(r,1),_&&t.get_array(_).splice(r,1),t.change.emit(),this._emit_cds_changes(this._selected_renderer.data_source)}_pan_start(e){this._select_event(e,"append",[this.model.vertex_renderer]),this._basepoint=[e.sx,e.sy]}_pan(e){null!=this._basepoint&&(this._drag_points(e,[this.model.vertex_renderer]),this._selected_renderer&&this._selected_renderer.data_source.change.emit())}_pan_end(e){null!=this._basepoint&&(this._drag_points(e,[this.model.vertex_renderer]),this._emit_cds_changes(this.model.vertex_renderer.data_source,!1,!0,!0),this._selected_renderer&&this._emit_cds_changes(this._selected_renderer.data_source),this._basepoint=null)}_keyup(e){if(!this.model.active||!this._mouse_in_frame)return;let t;t=this._selected_renderer?[this.model.vertex_renderer]:this.model.renderers;for(const s of t)e.keyCode===d.Keys.Backspace?(this._delete_selected(s),this._selected_renderer&&this._emit_cds_changes(this._selected_renderer.data_source)):e.keyCode==d.Keys.Esc&&(this._drawing?(this._remove_vertex(),this._drawing=!1):this._selected_renderer&&this._hide_vertices(),s.data_source.selection_manager.clear())}deactivate(){this._selected_renderer&&(this._drawing&&(this._remove_vertex(),this._drawing=!1),this._hide_vertices())}}s.PolyEditToolView=c,c.__name__="PolyEditToolView";class o extends l.PolyTool{constructor(e){super(e),this.tool_name="Poly Edit Tool",this.icon=a.tool_icon_poly_edit,this.event_type=["tap","pan","move"],this.default_order=4}}s.PolyEditTool=o,_=o,o.__name__="PolyEditTool",_.prototype.default_view=c}, +function _(e,t,o,s,i){var l;s();const n=e(378),_=e(116),c=e(20),r=e(228);class a extends n.SelectToolView{_compute_limits(e){const t=this.plot_view.frame,o=this.model.dimensions;let s=this._base_point;if("center"==this.model.origin){const[t,o]=s,[i,l]=e;s=[t-(i-t),o-(l-o)]}return this.model._get_dim_limits(s,e,t,o)}_pan_start(e){const{sx:t,sy:o}=e;this._base_point=[t,o]}_pan(e){const{sx:t,sy:o}=e,s=[t,o],[i,l]=this._compute_limits(s);this.model.overlay.update({left:i[0],right:i[1],top:l[0],bottom:l[1]}),this.model.select_every_mousemove&&this._do_select(i,l,!1,this._select_mode(e))}_pan_end(e){const{sx:t,sy:o}=e,s=[t,o],[i,l]=this._compute_limits(s);this._do_select(i,l,!0,this._select_mode(e)),this.model.overlay.update({left:null,right:null,top:null,bottom:null}),this._base_point=null,this.plot_view.state.push("box_select",{selection:this.plot_view.get_selection()})}_do_select([e,t],[o,s],i,l="replace"){const n={type:"rect",sx0:e,sx1:t,sy0:o,sy1:s};this._select(n,i,l)}}o.BoxSelectToolView=a,a.__name__="BoxSelectToolView";const h=()=>new _.BoxAnnotation({level:"overlay",top_units:"screen",left_units:"screen",bottom_units:"screen",right_units:"screen",fill_color:"lightgrey",fill_alpha:.5,line_color:"black",line_alpha:1,line_width:2,line_dash:[4,4]});class m extends n.SelectTool{constructor(e){super(e),this.tool_name="Box Select",this.icon=r.tool_icon_box_select,this.event_type="pan",this.default_order=30}get tooltip(){return this._get_dim_tooltip(this.dimensions)}}o.BoxSelectTool=m,l=m,m.__name__="BoxSelectTool",l.prototype.default_view=a,l.define((({Boolean:e,Ref:t})=>({dimensions:[c.Dimensions,"both"],select_every_mousemove:[e,!1],overlay:[t(_.BoxAnnotation),h],origin:[c.BoxOrigin,"corner"]}))),l.register_alias("box_select",(()=>new m)),l.register_alias("xbox_select",(()=>new m({dimensions:"width"}))),l.register_alias("ybox_select",(()=>new m({dimensions:"height"})))}, +function _(e,t,s,n,r){var o;n();const c=e(223),i=e(175),a=e(339),l=e(176),d=e(66),_=e(20),h=e(43),p=e(251),u=e(15),m=e(11);class v extends c.GestureToolView{connect_signals(){super.connect_signals(),this.model.clear.connect((()=>this._clear()))}get computed_renderers(){const{renderers:e,names:t}=this.model,s=this.plot_model.data_renderers;return(0,d.compute_renderers)(e,s,t)}_computed_renderers_by_data_source(){var e;const t=new Map;for(const s of this.computed_renderers){let n;if(s instanceof i.GlyphRenderer)n=s.data_source;else{if(!(s instanceof a.GraphRenderer))continue;n=s.node_renderer.data_source}const r=null!==(e=t.get(n))&&void 0!==e?e:[];t.set(n,[...r,s])}return t}_select_mode(e){const{shiftKey:t,ctrlKey:s}=e;return t||s?t&&!s?"append":!t&&s?"intersect":t&&s?"subtract":void(0,m.unreachable)():this.model.mode}_keyup(e){e.keyCode==h.Keys.Esc&&this._clear()}_clear(){for(const e of this.computed_renderers)e.get_selection_manager().clear();const e=this.computed_renderers.map((e=>this.plot_view.renderer_view(e)));this.plot_view.request_paint(e)}_select(e,t,s){const n=this._computed_renderers_by_data_source();for(const[,r]of n){const n=r[0].get_selection_manager(),o=[];for(const e of r){const t=this.plot_view.renderer_view(e);null!=t&&o.push(t)}n.select(o,e,t,s)}null!=this.model.callback&&this._emit_callback(e),this._emit_selection_event(e,t)}_emit_selection_event(e,t=!0){const{x_scale:s,y_scale:n}=this.plot_view.frame;let r;switch(e.type){case"point":{const{sx:t,sy:o}=e,c=s.invert(t),i=n.invert(o);r=Object.assign(Object.assign({},e),{x:c,y:i});break}case"span":{const{sx:t,sy:o}=e,c=s.invert(t),i=n.invert(o);r=Object.assign(Object.assign({},e),{x:c,y:i});break}case"rect":{const{sx0:t,sx1:o,sy0:c,sy1:i}=e,[a,l]=s.r_invert(t,o),[d,_]=n.r_invert(c,i);r=Object.assign(Object.assign({},e),{x0:a,y0:d,x1:l,y1:_});break}case"poly":{const{sx:t,sy:o}=e,c=s.v_invert(t),i=n.v_invert(o);r=Object.assign(Object.assign({},e),{x:c,y:i});break}}this.plot_model.trigger_event(new p.SelectionGeometry(r,t))}}s.SelectToolView=v,v.__name__="SelectToolView";class b extends c.GestureTool{constructor(e){super(e)}initialize(){super.initialize(),this.clear=new u.Signal0(this,"clear")}get menu(){return[{icon:"bk-tool-icon-replace-mode",tooltip:"Replace the current selection",active:()=>"replace"==this.mode,handler:()=>{this.mode="replace",this.active=!0}},{icon:"bk-tool-icon-append-mode",tooltip:"Append to the current selection (Shift)",active:()=>"append"==this.mode,handler:()=>{this.mode="append",this.active=!0}},{icon:"bk-tool-icon-intersect-mode",tooltip:"Intersect with the current selection (Ctrl)",active:()=>"intersect"==this.mode,handler:()=>{this.mode="intersect",this.active=!0}},{icon:"bk-tool-icon-subtract-mode",tooltip:"Subtract from the current selection (Shift+Ctrl)",active:()=>"subtract"==this.mode,handler:()=>{this.mode="subtract",this.active=!0}},null,{icon:"bk-tool-icon-clear-selection",tooltip:"Clear the current selection (Esc)",handler:()=>{this.clear.emit()}}]}}s.SelectTool=b,o=b,b.__name__="SelectTool",o.define((({String:e,Array:t,Ref:s,Or:n,Auto:r})=>({renderers:[n(t(s(l.DataRenderer)),r),"auto"],names:[t(e),[]],mode:[_.SelectionMode,"replace"]})))}, +function _(t,o,e,s,i){var n;s();const _=t(223),a=t(116),l=t(20),r=t(228);class h extends _.GestureToolView{_match_aspect(t,o,e){const s=e.bbox.aspect,i=e.bbox.h_range.end,n=e.bbox.h_range.start,_=e.bbox.v_range.end,a=e.bbox.v_range.start;let l=Math.abs(t[0]-o[0]),r=Math.abs(t[1]-o[1]);const h=0==r?0:l/r,[c]=h>=s?[1,h/s]:[s/h,1];let m,p,d,b;return t[0]<=o[0]?(m=t[0],p=t[0]+l*c,p>i&&(p=i)):(p=t[0],m=t[0]-l*c,m_&&(d=_)):(d=t[1],b=t[1]-l/s,bnew a.BoxAnnotation({level:"overlay",top_units:"screen",left_units:"screen",bottom_units:"screen",right_units:"screen",fill_color:"lightgrey",fill_alpha:.5,line_color:"black",line_alpha:1,line_width:2,line_dash:[4,4]});class m extends _.GestureTool{constructor(t){super(t),this.tool_name="Box Zoom",this.icon=r.tool_icon_box_zoom,this.event_type="pan",this.default_order=20}get tooltip(){return this._get_dim_tooltip(this.dimensions)}}e.BoxZoomTool=m,n=m,m.__name__="BoxZoomTool",n.prototype.default_view=h,n.define((({Boolean:t,Ref:o})=>({dimensions:[l.Dimensions,"both"],overlay:[o(a.BoxAnnotation),c],match_aspect:[t,!1],origin:[l.BoxOrigin,"corner"]}))),n.register_alias("box_zoom",(()=>new m({dimensions:"both"}))),n.register_alias("xbox_zoom",(()=>new m({dimensions:"width"}))),n.register_alias("ybox_zoom",(()=>new m({dimensions:"height"})))}, +function _(s,e,t,o,_){var l;o();const i=s(378),a=s(217),c=s(381),n=s(43),h=s(228);class r extends i.SelectToolView{constructor(){super(...arguments),this.sxs=[],this.sys=[]}connect_signals(){super.connect_signals(),this.connect(this.model.properties.active.change,(()=>this._active_change()))}_active_change(){this.model.active||this._clear_overlay()}_keyup(s){s.keyCode==n.Keys.Enter&&this._clear_overlay()}_pan_start(s){this.sxs=[],this.sys=[];const{sx:e,sy:t}=s;this._append_overlay(e,t)}_pan(s){const[e,t]=this.plot_view.frame.bbox.clip(s.sx,s.sy);this._append_overlay(e,t),this.model.select_every_mousemove&&this._do_select(this.sxs,this.sys,!1,this._select_mode(s))}_pan_end(s){const{sxs:e,sys:t}=this;this._clear_overlay(),this._do_select(e,t,!0,this._select_mode(s)),this.plot_view.state.push("lasso_select",{selection:this.plot_view.get_selection()})}_append_overlay(s,e){const{sxs:t,sys:o}=this;t.push(s),o.push(e),this.model.overlay.update({xs:t,ys:o})}_clear_overlay(){this.sxs=[],this.sys=[],this.model.overlay.update({xs:this.sxs,ys:this.sys})}_do_select(s,e,t,o){const _={type:"poly",sx:s,sy:e};this._select(_,t,o)}}t.LassoSelectToolView=r,r.__name__="LassoSelectToolView";class y extends i.SelectTool{constructor(s){super(s),this.tool_name="Lasso Select",this.icon=h.tool_icon_lasso_select,this.event_type="pan",this.default_order=12}}t.LassoSelectTool=y,l=y,y.__name__="LassoSelectTool",l.prototype.default_view=r,l.define((({Boolean:s,Ref:e})=>({select_every_mousemove:[s,!0],overlay:[e(a.PolyAnnotation),c.DEFAULT_POLY_OVERLAY]}))),l.register_alias("lasso_select",(()=>new y))}, +function _(e,t,s,l,o){var i;l();const a=e(378),_=e(217),c=e(43),n=e(9),h=e(228);class y extends a.SelectToolView{initialize(){super.initialize(),this.data={sx:[],sy:[]}}connect_signals(){super.connect_signals(),this.connect(this.model.properties.active.change,(()=>this._active_change()))}_active_change(){this.model.active||this._clear_data()}_keyup(e){e.keyCode==c.Keys.Enter&&this._clear_data()}_doubletap(e){this._do_select(this.data.sx,this.data.sy,!0,this._select_mode(e)),this.plot_view.state.push("poly_select",{selection:this.plot_view.get_selection()}),this._clear_data()}_clear_data(){this.data={sx:[],sy:[]},this.model.overlay.update({xs:[],ys:[]})}_tap(e){const{sx:t,sy:s}=e;this.plot_view.frame.bbox.contains(t,s)&&(this.data.sx.push(t),this.data.sy.push(s),this.model.overlay.update({xs:(0,n.copy)(this.data.sx),ys:(0,n.copy)(this.data.sy)}))}_do_select(e,t,s,l){const o={type:"poly",sx:e,sy:t};this._select(o,s,l)}}s.PolySelectToolView=y,y.__name__="PolySelectToolView";s.DEFAULT_POLY_OVERLAY=()=>new _.PolyAnnotation({level:"overlay",xs_units:"screen",ys_units:"screen",fill_color:"lightgrey",fill_alpha:.5,line_color:"black",line_alpha:1,line_width:2,line_dash:[4,4]});class d extends a.SelectTool{constructor(e){super(e),this.tool_name="Poly Select",this.icon=h.tool_icon_polygon_select,this.event_type="tap",this.default_order=11}}s.PolySelectTool=d,i=d,d.__name__="PolySelectTool",i.prototype.default_view=y,i.define((({Ref:e})=>({overlay:[e(_.PolyAnnotation),s.DEFAULT_POLY_OVERLAY]}))),i.register_alias("poly_select",(()=>new d))}, +function _(e,t,s,i,r){var n;i();const _=e(20),d=e(383),o=e(228);class l extends d.LineToolView{constructor(){super(...arguments),this._drawing=!1}_doubletap(e){if(!this.model.active)return;const t=this.model.renderers;for(const s of t){1==this._select_event(e,"replace",[s]).length&&(this._selected_renderer=s)}this._show_intersections(),this._update_line_cds()}_show_intersections(){if(!this.model.active)return;if(null==this._selected_renderer)return;if(!this.model.renderers.length)return this._set_intersection([],[]),this._selected_renderer=null,void(this._drawing=!1);const e=this._selected_renderer.data_source,t=this._selected_renderer.glyph,[s,i]=[t.x.field,t.y.field],r=e.get_array(s),n=e.get_array(i);this._set_intersection(r,n)}_tap(e){const t=this.model.intersection_renderer;if(null==this._map_drag(e.sx,e.sy,t))return;if(this._drawing&&this._selected_renderer){const s=this._select_mode(e);if(0==this._select_event(e,s,[t]).length)return}const s=this._select_mode(e);this._select_event(e,s,[t]),this._select_event(e,s,this.model.renderers)}_update_line_cds(){if(null==this._selected_renderer)return;const e=this.model.intersection_renderer.glyph,t=this.model.intersection_renderer.data_source,[s,i]=[e.x.field,e.y.field];if(s&&i){const e=t.data[s],r=t.data[i];this._selected_renderer.data_source.data[s]=e,this._selected_renderer.data_source.data[i]=r}this._emit_cds_changes(this._selected_renderer.data_source,!0,!0,!1)}_pan_start(e){this._select_event(e,"append",[this.model.intersection_renderer]),this._basepoint=[e.sx,e.sy]}_pan(e){null!=this._basepoint&&(this._drag_points(e,[this.model.intersection_renderer],this.model.dimensions),this._selected_renderer&&this._selected_renderer.data_source.change.emit())}_pan_end(e){null!=this._basepoint&&(this._drag_points(e,[this.model.intersection_renderer]),this._emit_cds_changes(this.model.intersection_renderer.data_source,!1,!0,!0),this._selected_renderer&&this._emit_cds_changes(this._selected_renderer.data_source),this._basepoint=null)}activate(){this._drawing=!0}deactivate(){this._selected_renderer&&(this._drawing&&(this._drawing=!1),this._hide_intersections())}}s.LineEditToolView=l,l.__name__="LineEditToolView";class h extends d.LineTool{constructor(e){super(e),this.tool_name="Line Edit Tool",this.icon=o.tool_icon_line_edit,this.event_type=["tap","pan","move"],this.default_order=4}get tooltip(){return this._get_dim_tooltip(this.dimensions)}}s.LineEditTool=h,n=h,h.__name__="LineEditTool",n.prototype.default_view=l,n.define((()=>({dimensions:[_.Dimensions,"both"]})))}, +function _(e,i,n,t,s){var o;t();const r=e(8),_=e(370);class d extends _.EditToolView{_set_intersection(e,i){const n=this.model.intersection_renderer.glyph,t=this.model.intersection_renderer.data_source,[s,o]=[n.x.field,n.y.field];s&&((0,r.isArray)(e)?t.data[s]=e:n.x={value:e}),o&&((0,r.isArray)(i)?t.data[o]=i:n.y={value:i}),this._emit_cds_changes(t,!0,!0,!1)}_hide_intersections(){this._set_intersection([],[])}}n.LineToolView=d,d.__name__="LineToolView";class a extends _.EditTool{constructor(e){super(e)}}n.LineTool=a,o=a,a.__name__="LineTool",o.define((({AnyRef:e})=>({intersection_renderer:[e()]})))}, +function _(t,s,n,e,i){e();const o=t(1);var a;const _=t(223),l=t(20),r=(0,o.__importStar)(t(228));function h(t,s,n){const e=new Map;for(const[i,o]of t){const[t,a]=o.r_invert(s,n);e.set(i,{start:t,end:a})}return e}n.update_ranges=h;class d extends _.GestureToolView{_pan_start(t){var s;this.last_dx=0,this.last_dy=0;const{sx:n,sy:e}=t,i=this.plot_view.frame.bbox;if(!i.contains(n,e)){const t=i.h_range,s=i.v_range;(nt.end)&&(this.v_axis_only=!0),(es.end)&&(this.h_axis_only=!0)}null===(s=this.model.document)||void 0===s||s.interactive_start(this.plot_model)}_pan(t){var s;this._update(t.deltaX,t.deltaY),null===(s=this.model.document)||void 0===s||s.interactive_start(this.plot_model)}_pan_end(t){this.h_axis_only=!1,this.v_axis_only=!1,null!=this.pan_info&&this.plot_view.state.push("pan",{range:this.pan_info}),this.plot_view.trigger_ranges_update_event()}_update(t,s){const n=this.plot_view.frame,e=t-this.last_dx,i=s-this.last_dy,o=n.bbox.h_range,a=o.start-e,_=o.end-e,l=n.bbox.v_range,r=l.start-i,d=l.end-i,p=this.model.dimensions;let c,u,m,v,x,g;"width"!=p&&"both"!=p||this.v_axis_only?(c=o.start,u=o.end,m=0):(c=a,u=_,m=-e),"height"!=p&&"both"!=p||this.h_axis_only?(v=l.start,x=l.end,g=0):(v=r,x=d,g=-i),this.last_dx=t,this.last_dy=s;const{x_scales:w,y_scales:y}=n,f=h(w,c,u),b=h(y,v,x);this.pan_info={xrs:f,yrs:b,sdx:m,sdy:g},this.plot_view.update_range(this.pan_info,{panning:!0})}}n.PanToolView=d,d.__name__="PanToolView";class p extends _.GestureTool{constructor(t){super(t),this.tool_name="Pan",this.event_type="pan",this.default_order=10}get tooltip(){return this._get_dim_tooltip(this.dimensions)}}n.PanTool=p,a=p,p.__name__="PanTool",a.prototype.default_view=d,a.define((()=>({dimensions:[l.Dimensions,"both",{on_update(t,s){switch(t){case"both":s.icon=r.tool_icon_pan;break;case"width":s.icon=r.tool_icon_xpan;break;case"height":s.icon=r.tool_icon_ypan}}}]}))),a.register_alias("pan",(()=>new p({dimensions:"both"}))),a.register_alias("xpan",(()=>new p({dimensions:"width"}))),a.register_alias("ypan",(()=>new p({dimensions:"height"})))}, +function _(e,t,i,s,n){var l;s();const a=e(116),r=e(58),o=e(19),_=e(223),h=e(228);function d(e){switch(e){case 1:return 2;case 2:return 1;case 4:return 5;case 5:return 4;default:return e}}function u(e,t,i,s){if(null==t)return!1;const n=i.compute(t);return Math.abs(e-n)n.right)&&(l=!1)}if(null!=n.bottom&&null!=n.top){const e=s.invert(t);(en.top)&&(l=!1)}return l}function g(e,t,i){let s=0;return e>=i.start&&e<=i.end&&(s+=1),t>=i.start&&t<=i.end&&(s+=1),s}function y(e,t,i,s){const n=t.compute(e),l=t.invert(n+i);return l>=s.start&&l<=s.end?l:e}function f(e,t,i){return e>t.start?(t.end=e,i):(t.end=t.start,t.start=e,d(i))}function v(e,t,i){return e=o&&(e.start=a,e.end=r)}i.flip_side=d,i.is_near=u,i.is_inside=c,i.sides_inside=g,i.compute_value=y,i.update_range_end_side=f,i.update_range_start_side=v,i.update_range=m;class p extends _.GestureToolView{initialize(){super.initialize(),this.side=0,this.model.update_overlay_from_ranges()}connect_signals(){super.connect_signals(),null!=this.model.x_range&&this.connect(this.model.x_range.change,(()=>this.model.update_overlay_from_ranges())),null!=this.model.y_range&&this.connect(this.model.y_range.change,(()=>this.model.update_overlay_from_ranges()))}_pan_start(e){this.last_dx=0,this.last_dy=0;const t=this.model.x_range,i=this.model.y_range,{frame:s}=this.plot_view,n=s.x_scale,l=s.y_scale,r=this.model.overlay,{left:o,right:_,top:h,bottom:d}=r,g=this.model.overlay.line_width+a.EDGE_TOLERANCE;null!=t&&this.model.x_interaction&&(u(e.sx,o,n,g)?this.side=1:u(e.sx,_,n,g)?this.side=2:c(e.sx,e.sy,n,l,r)&&(this.side=3)),null!=i&&this.model.y_interaction&&(0==this.side&&u(e.sy,d,l,g)&&(this.side=4),0==this.side&&u(e.sy,h,l,g)?this.side=5:c(e.sx,e.sy,n,l,this.model.overlay)&&(3==this.side?this.side=7:this.side=6))}_pan(e){const t=this.plot_view.frame,i=e.deltaX-this.last_dx,s=e.deltaY-this.last_dy,n=this.model.x_range,l=this.model.y_range,a=t.x_scale,r=t.y_scale;if(null!=n)if(3==this.side||7==this.side)m(n,a,i,t.x_range);else if(1==this.side){const e=y(n.start,a,i,t.x_range);this.side=v(e,n,this.side)}else if(2==this.side){const e=y(n.end,a,i,t.x_range);this.side=f(e,n,this.side)}if(null!=l)if(6==this.side||7==this.side)m(l,r,s,t.y_range);else if(4==this.side){const e=y(l.start,r,s,t.y_range);this.side=v(e,l,this.side)}else if(5==this.side){const e=y(l.end,r,s,t.y_range);this.side=f(e,l,this.side)}this.last_dx=e.deltaX,this.last_dy=e.deltaY}_pan_end(e){this.side=0,this.plot_view.trigger_ranges_update_event()}}i.RangeToolView=p,p.__name__="RangeToolView";const x=()=>new a.BoxAnnotation({level:"overlay",fill_color:"lightgrey",fill_alpha:.5,line_color:"black",line_alpha:1,line_width:.5,line_dash:[2,2]});class w extends _.GestureTool{constructor(e){super(e),this.tool_name="Range Tool",this.icon=h.tool_icon_range,this.event_type="pan",this.default_order=1}initialize(){super.initialize(),this.overlay.in_cursor="grab",this.overlay.ew_cursor=null!=this.x_range&&this.x_interaction?"ew-resize":null,this.overlay.ns_cursor=null!=this.y_range&&this.y_interaction?"ns-resize":null}update_overlay_from_ranges(){null==this.x_range&&null==this.y_range&&(this.overlay.left=null,this.overlay.right=null,this.overlay.bottom=null,this.overlay.top=null,o.logger.warn("RangeTool not configured with any Ranges.")),null==this.x_range?(this.overlay.left=null,this.overlay.right=null):(this.overlay.left=this.x_range.start,this.overlay.right=this.x_range.end),null==this.y_range?(this.overlay.bottom=null,this.overlay.top=null):(this.overlay.bottom=this.y_range.start,this.overlay.top=this.y_range.end)}}i.RangeTool=w,l=w,w.__name__="RangeTool",l.prototype.default_view=p,l.define((({Boolean:e,Ref:t,Nullable:i})=>({x_range:[i(t(r.Range1d)),null],x_interaction:[e,!0],y_range:[i(t(r.Range1d)),null],y_interaction:[e,!0],overlay:[t(a.BoxAnnotation),x]})))}, +function _(e,t,s,o,i){var l;o();const a=e(378),n=e(20),c=e(228);class _ extends a.SelectToolView{_tap(e){"tap"==this.model.gesture&&this._handle_tap(e)}_doubletap(e){"doubletap"==this.model.gesture&&this._handle_tap(e)}_handle_tap(e){const{sx:t,sy:s}=e,o={type:"point",sx:t,sy:s};this._select(o,!0,this._select_mode(e))}_select(e,t,s){const{callback:o}=this.model;if("select"==this.model.behavior){const i=this._computed_renderers_by_data_source();for(const[,l]of i){const i=l[0].get_selection_manager(),a=l.map((e=>this.plot_view.renderer_view(e))).filter((e=>null!=e));if(i.select(a,e,t,s)&&null!=o){const t=a[0].coordinates.x_scale.invert(e.sx),s=a[0].coordinates.y_scale.invert(e.sy),l={geometries:Object.assign(Object.assign({},e),{x:t,y:s}),source:i.source};o.execute(this.model,l)}}this._emit_selection_event(e),this.plot_view.state.push("tap",{selection:this.plot_view.get_selection()})}else for(const t of this.computed_renderers){const s=this.plot_view.renderer_view(t);if(null==s)continue;const i=t.get_selection_manager();if(i.inspect(s,e)&&null!=o){const t=s.coordinates.x_scale.invert(e.sx),l=s.coordinates.y_scale.invert(e.sy),a={geometries:Object.assign(Object.assign({},e),{x:t,y:l}),source:i.source};o.execute(this.model,a)}}}}s.TapToolView=_,_.__name__="TapToolView";class r extends a.SelectTool{constructor(e){super(e),this.tool_name="Tap",this.icon=c.tool_icon_tap_select,this.event_type="tap",this.default_order=10}}s.TapTool=r,l=r,r.__name__="TapTool",l.prototype.default_view=_,l.define((({Any:e,Enum:t,Nullable:s})=>({behavior:[n.TapBehavior,"select"],gesture:[t("tap","doubletap"),"tap"],callback:[s(e)]}))),l.register_alias("click",(()=>new r({behavior:"inspect"}))),l.register_alias("tap",(()=>new r)),l.register_alias("doubletap",(()=>new r({gesture:"doubletap"})))}, +function _(e,t,s,n,i){var a;n();const o=e(223),l=e(20),_=e(228),r=e(384);class h extends o.GestureToolView{_scroll(e){let t=this.model.speed*e.delta;t>.9?t=.9:t<-.9&&(t=-.9),this._update_ranges(t)}_update_ranges(e){var t;const{frame:s}=this.plot_view,n=s.bbox.h_range,i=s.bbox.v_range,[a,o]=[n.start,n.end],[l,_]=[i.start,i.end];let h,d,p,c;switch(this.model.dimension){case"height":{const t=Math.abs(_-l);h=a,d=o,p=l-t*e,c=_-t*e;break}case"width":{const t=Math.abs(o-a);h=a-t*e,d=o-t*e,p=l,c=_;break}}const{x_scales:g,y_scales:u}=s,w={xrs:(0,r.update_ranges)(g,h,d),yrs:(0,r.update_ranges)(u,p,c),factor:e};this.plot_view.state.push("wheel_pan",{range:w}),this.plot_view.update_range(w,{scrolling:!0}),null===(t=this.model.document)||void 0===t||t.interactive_start(this.plot_model,(()=>this.plot_view.trigger_ranges_update_event()))}}s.WheelPanToolView=h,h.__name__="WheelPanToolView";class d extends o.GestureTool{constructor(e){super(e),this.tool_name="Wheel Pan",this.icon=_.tool_icon_wheel_pan,this.event_type="scroll",this.default_order=12}get tooltip(){return this._get_dim_tooltip(this.dimension)}}s.WheelPanTool=d,a=d,d.__name__="WheelPanTool",a.prototype.default_view=h,a.define((()=>({dimension:[l.Dimension,"width"]}))),a.internal((({Number:e})=>({speed:[e,.001]}))),a.register_alias("xwheel_pan",(()=>new d({dimension:"width"}))),a.register_alias("ywheel_pan",(()=>new d({dimension:"height"})))}, +function _(e,o,t,s,i){var n;s();const l=e(223),_=e(368),h=e(20),a=e(27),r=e(228);class m extends l.GestureToolView{_pinch(e){const{sx:o,sy:t,scale:s,ctrlKey:i,shiftKey:n}=e;let l;l=s>=1?20*(s-1):-20/s,this._scroll({type:"wheel",sx:o,sy:t,delta:l,ctrlKey:i,shiftKey:n})}_scroll(e){var o;const{frame:t}=this.plot_view,s=t.bbox.h_range,i=t.bbox.v_range,{sx:n,sy:l}=e,h=this.model.dimensions,a=("width"==h||"both"==h)&&s.startthis.plot_view.trigger_ranges_update_event()))}}t.WheelZoomToolView=m,m.__name__="WheelZoomToolView";class d extends l.GestureTool{constructor(e){super(e),this.tool_name="Wheel Zoom",this.icon=r.tool_icon_wheel_zoom,this.event_type=a.is_mobile?"pinch":"scroll",this.default_order=10}get tooltip(){return this._get_dim_tooltip(this.dimensions)}}t.WheelZoomTool=d,n=d,d.__name__="WheelZoomTool",n.prototype.default_view=m,n.define((({Boolean:e,Number:o})=>({dimensions:[h.Dimensions,"both"],maintain_focus:[e,!0],zoom_on_axis:[e,!0],speed:[o,1/600]}))),n.register_alias("wheel_zoom",(()=>new d({dimensions:"both"}))),n.register_alias("xwheel_zoom",(()=>new d({dimensions:"width"}))),n.register_alias("ywheel_zoom",(()=>new d({dimensions:"height"})))}, +function _(i,e,s,t,o){var n;t();const l=i(232),a=i(219),h=i(20),r=i(13),_=i(228);class c extends l.InspectToolView{_move(i){if(!this.model.active)return;const{sx:e,sy:s}=i;this.plot_view.frame.bbox.contains(e,s)?this._update_spans(e,s):this._update_spans(null,null)}_move_exit(i){this._update_spans(null,null)}_update_spans(i,e){const s=this.model.dimensions;"width"!=s&&"both"!=s||(this.model.spans.width.location=e),"height"!=s&&"both"!=s||(this.model.spans.height.location=i)}}s.CrosshairToolView=c,c.__name__="CrosshairToolView";class p extends l.InspectTool{constructor(i){super(i),this.tool_name="Crosshair",this.icon=_.tool_icon_crosshair}get tooltip(){return this._get_dim_tooltip(this.dimensions)}get synthetic_renderers(){return(0,r.values)(this.spans)}}s.CrosshairTool=p,n=p,p.__name__="CrosshairTool",(()=>{function i(i,e){return new a.Span({for_hover:!0,dimension:e,location_units:"screen",level:"overlay",line_color:i.line_color,line_width:i.line_width,line_alpha:i.line_alpha})}n.prototype.default_view=c,n.define((({Alpha:i,Number:e,Color:s})=>({dimensions:[h.Dimensions,"both"],line_color:[s,"black"],line_width:[e,1],line_alpha:[i,1]}))),n.internal((({Struct:e,Ref:s})=>({spans:[e({width:s(a.Span),height:s(a.Span)}),e=>({width:i(e,"width"),height:i(e,"height")})]}))),n.register_alias("crosshair",(()=>new p))})()}, +function _(e,s,t,r,n){var o;r();const a=e(53),u=e(13),c=e(34);class i extends a.Model{constructor(e){super(e)}get values(){return(0,u.values)(this.args)}_make_code(e,s,t,r){return new Function(...(0,u.keys)(this.args),e,s,t,(0,c.use_strict)(r))}format(e,s,t){return this._make_code("value","format","special_vars",this.code)(...this.values,e,s,t)}}t.CustomJSHover=i,o=i,i.__name__="CustomJSHover",o.define((({Unknown:e,String:s,Dict:t})=>({args:[t(e),{}],code:[s,""]})))}, +function _(e,t,n,s,o){s();const i=e(1);var r;const l=e(232),a=e(390),c=e(241),_=e(175),d=e(339),p=e(176),h=e(177),u=e(283),m=(0,i.__importStar)(e(185)),y=e(152),f=e(43),v=e(22),x=e(13),w=e(234),g=e(8),b=e(113),k=e(20),C=e(228),S=e(15),T=e(66),$=(0,i.__importStar)(e(242)),R=e(392);function M(e,t,n,s,o,i){const r={x:o[e],y:i[e]},l={x:o[e+1],y:i[e+1]};let a,c;if("span"==t.type)"h"==t.direction?(a=Math.abs(r.x-n),c=Math.abs(l.x-n)):(a=Math.abs(r.y-s),c=Math.abs(l.y-s));else{const e={x:n,y:s};a=m.dist_2_pts(r,e),c=m.dist_2_pts(l,e)}return adelete this._template_el)),this.on_change([e,t,n],(async()=>await this._update_ttmodels()))}async _update_ttmodels(){const{_ttmodels:e,computed_renderers:t}=this;e.clear();const{tooltips:n}=this.model;if(null!=n)for(const t of this.computed_renderers){const s=new c.Tooltip({custom:(0,g.isString)(n)||(0,g.isFunction)(n),attachment:this.model.attachment,show_arrow:this.model.show_arrow});t instanceof _.GlyphRenderer?e.set(t,s):t instanceof d.GraphRenderer&&(e.set(t.node_renderer,s),e.set(t.edge_renderer,s))}const s=await(0,b.build_views)(this._ttviews,[...e.values()],{parent:this.plot_view});for(const e of s)e.render();const o=[...function*(){for(const e of t)e instanceof _.GlyphRenderer?yield e:e instanceof d.GraphRenderer&&(yield e.node_renderer,yield e.edge_renderer)}()],i=this._slots.get(this._update);if(null!=i){const e=new Set(o.map((e=>e.data_source)));S.Signal.disconnect_receiver(this,i,e)}for(const e of o)this.connect(e.data_source.inspect,this._update)}get computed_renderers(){const{renderers:e,names:t}=this.model,n=this.plot_model.data_renderers;return(0,T.compute_renderers)(e,n,t)}get ttmodels(){return this._ttmodels}_clear(){this._inspect(1/0,1/0);for(const[,e]of this.ttmodels)e.clear()}_move(e){if(!this.model.active)return;const{sx:t,sy:n}=e;this.plot_view.frame.bbox.contains(t,n)?this._inspect(t,n):this._clear()}_move_exit(){this._clear()}_inspect(e,t){let n;if("mouse"==this.model.mode)n={type:"point",sx:e,sy:t};else{n={type:"span",direction:"vline"==this.model.mode?"h":"v",sx:e,sy:t}}for(const e of this.computed_renderers){const t=e.get_selection_manager(),s=this.plot_view.renderer_view(e);null!=s&&t.inspect(s,n)}this._emit_callback(n)}_update([e,{geometry:t}]){var n,s;if(!this.model.active)return;if("point"!=t.type&&"span"!=t.type)return;if(!(e instanceof _.GlyphRenderer))return;if("ignore"==this.model.muted_policy&&e.muted)return;const o=this.ttmodels.get(e);if(null==o)return;const i=e.get_selection_manager(),r=i.inspectors.get(e),l=e.view.convert_selection_to_subset(r);if(r.is_empty())return void o.clear();const a=i.source,c=this.plot_view.renderer_view(e);if(null==c)return;const{sx:d,sy:p}=t,m=c.coordinates.x_scale,y=c.coordinates.y_scale,v=m.invert(d),w=y.invert(p),{glyph:g}=c,b=[];if(g instanceof h.LineView)for(const n of l.line_indices){let s,o,i=g._x[n+1],r=g._y[n+1],c=n;switch(this.model.line_policy){case"interp":[i,r]=g.get_interpolation_hit(n,t),s=m.compute(i),o=y.compute(r);break;case"prev":[[s,o],c]=G(g.sx,g.sy,n);break;case"next":[[s,o],c]=G(g.sx,g.sy,n+1);break;case"nearest":[[s,o],c]=M(n,t,d,p,g.sx,g.sy),i=g._x[c],r=g._y[c];break;default:[s,o]=[d,p]}const _={index:c,x:v,y:w,sx:d,sy:p,data_x:i,data_y:r,rx:s,ry:o,indices:l.line_indices,name:e.name};b.push([s,o,this._render_tooltips(a,c,_)])}for(const t of r.image_indices){const n={index:t.index,x:v,y:w,sx:d,sy:p,name:e.name},s=this._render_tooltips(a,t,n);b.push([d,p,s])}for(const o of l.indices)if(g instanceof u.MultiLineView&&!(0,x.isEmpty)(l.multiline_indices))for(const n of l.multiline_indices[o.toString()]){let s,i,r,c=g._xs.get(o)[n],h=g._ys.get(o)[n],u=n;switch(this.model.line_policy){case"interp":[c,h]=g.get_interpolation_hit(o,n,t),s=m.compute(c),i=y.compute(h);break;case"prev":[[s,i],u]=G(g.sxs.get(o),g.sys.get(o),n);break;case"next":[[s,i],u]=G(g.sxs.get(o),g.sys.get(o),n+1);break;case"nearest":[[s,i],u]=M(n,t,d,p,g.sxs.get(o),g.sys.get(o)),c=g._xs.get(o)[u],h=g._ys.get(o)[u];break;default:throw new Error("shouldn't have happened")}r=e instanceof _.GlyphRenderer?e.view.convert_indices_from_subset([o])[0]:o;const f={index:r,x:v,y:w,sx:d,sy:p,data_x:c,data_y:h,segment_index:u,indices:l.multiline_indices,name:e.name};b.push([s,i,this._render_tooltips(a,r,f)])}else{const t=null===(n=g._x)||void 0===n?void 0:n[o],i=null===(s=g._y)||void 0===s?void 0:s[o];let r,c,h;if("snap_to_data"==this.model.point_policy){let e=g.get_anchor_point(this.model.anchor,o,[d,p]);if(null==e&&(e=g.get_anchor_point("center",o,[d,p]),null==e))continue;r=e.x,c=e.y}else[r,c]=[d,p];h=e instanceof _.GlyphRenderer?e.view.convert_indices_from_subset([o])[0]:o;const u={index:h,x:v,y:w,sx:d,sy:p,data_x:t,data_y:i,indices:l.indices,name:e.name};b.push([r,c,this._render_tooltips(a,h,u)])}if(0==b.length)o.clear();else{const{content:e}=o;(0,f.empty)(o.content);for(const[,,t]of b)null!=t&&e.appendChild(t);const[t,n]=b[b.length-1];o.setv({position:[t,n]},{check_eq:!1})}}_emit_callback(e){const{callback:t}=this.model;if(null!=t)for(const n of this.computed_renderers){if(!(n instanceof _.GlyphRenderer))continue;const s=this.plot_view.renderer_view(n);if(null==s)continue;const{x_scale:o,y_scale:i}=s.coordinates,r=o.invert(e.sx),l=i.invert(e.sy),a=n.data_source.inspected;t.execute(this.model,{geometry:Object.assign({x:r,y:l},e),renderer:n,index:a})}}_create_template(e){const t=(0,f.div)({style:{display:"table",borderSpacing:"2px"}});for(const[n]of e){const e=(0,f.div)({style:{display:"table-row"}});t.appendChild(e);const s=(0,f.div)({style:{display:"table-cell"},class:$.tooltip_row_label},0!=n.length?`${n}: `:"");e.appendChild(s);const o=(0,f.span)();o.dataset.value="";const i=(0,f.span)({class:$.tooltip_color_block}," ");i.dataset.swatch="",(0,f.undisplay)(i);const r=(0,f.div)({style:{display:"table-cell"},class:$.tooltip_row_value},o,i);e.appendChild(r)}return t}_render_template(e,t,n,s,o){const i=e.cloneNode(!0),r=i.querySelectorAll("[data-value]"),l=i.querySelectorAll("[data-swatch]"),a=/\$color(\[.*\])?:(\w*)/,c=/\$swatch:(\w*)/;for(const[[,e],i]of(0,w.enumerate)(t)){const t=e.match(c),_=e.match(a);if(null!=t||null!=_){if(null!=t){const[,e]=t,o=n.get_column(e);if(null==o)r[i].textContent=`${e} unknown`;else{const e=(0,g.isNumber)(s)?o[s]:null;null!=e&&(l[i].style.backgroundColor=(0,v.color2css)(e),(0,f.display)(l[i]))}}if(null!=_){const[,e="",t]=_,o=n.get_column(t);if(null==o){r[i].textContent=`${t} unknown`;continue}const a=e.indexOf("hex")>=0,c=e.indexOf("swatch")>=0,d=(0,g.isNumber)(s)?o[s]:null;if(null==d){r[i].textContent="(null)";continue}r[i].textContent=a?(0,v.color2hex)(d):(0,v.color2css)(d),c&&(l[i].style.backgroundColor=(0,v.color2css)(d),(0,f.display)(l[i]))}}else{const t=(0,y.replace_placeholders)(e.replace("$~","$data_"),n,s,this.model.formatters,o);if((0,g.isString)(t))r[i].textContent=t;else for(const e of t)r[i].appendChild(e)}}return i}_render_tooltips(e,t,n){var s;const{tooltips:o}=this.model;if((0,g.isString)(o)){const s=(0,y.replace_placeholders)({html:o},e,t,this.model.formatters,n);return(0,f.div)(s)}if((0,g.isFunction)(o))return o(e,n);if(o instanceof R.Template)return this._template_view.update(e,t,n),this._template_view.el;if(null!=o){const i=null!==(s=this._template_el)&&void 0!==s?s:this._template_el=this._create_template(o);return this._render_template(i,o,e,t,n)}return null}}n.HoverToolView=z,z.__name__="HoverToolView";class A extends l.InspectTool{constructor(e){super(e),this.tool_name="Hover",this.icon=C.tool_icon_hover}}n.HoverTool=A,r=A,A.__name__="HoverTool",r.prototype.default_view=z,r.define((({Any:e,Boolean:t,String:n,Array:s,Tuple:o,Dict:i,Or:r,Ref:l,Function:c,Auto:_,Nullable:d})=>({tooltips:[d(r(l(R.Template),n,s(o(n,n)),c())),[["index","$index"],["data (x, y)","($x, $y)"],["screen (x, y)","($sx, $sy)"]]],formatters:[i(r(l(a.CustomJSHover),y.FormatterType)),{}],renderers:[r(s(l(p.DataRenderer)),_),"auto"],names:[s(n),[]],mode:[k.HoverMode,"mouse"],muted_policy:[k.MutedPolicy,"show"],point_policy:[k.PointPolicy,"snap_to_data"],line_policy:[k.LinePolicy,"nearest"],show_arrow:[t,!0],anchor:[k.Anchor,"center"],attachment:[k.TooltipAttachment,"horizontal"],callback:[d(e)]}))),r.register_alias("hover",(()=>new A))}, +function _(e,t,s,n,a){n();const l=e(1);var i,_,o,r,c,d,p,u,m,w,f,h,x;const v=e(53),y=e(309),V=e(393);a("Styles",V.Styles);const g=e(43),T=e(42),b=e(226),R=e(113),D=e(8),M=e(13),S=(0,l.__importStar)(e(242)),O=e(152);class C extends b.DOMView{}s.DOMNodeView=C,C.__name__="DOMNodeView";class z extends v.Model{constructor(e){super(e)}}s.DOMNode=z,z.__name__="DOMNode",z.__module__="bokeh.models.dom";class P extends C{render(){super.render(),this.el.textContent=this.model.content}_createElement(){return document.createTextNode("")}}s.TextView=P,P.__name__="TextView";class A extends z{constructor(e){super(e)}}s.Text=A,i=A,A.__name__="Text",i.prototype.default_view=P,i.define((({String:e})=>({content:[e,""]})));class N extends C{}s.PlaceholderView=N,N.__name__="PlaceholderView",N.tag_name="span";class E extends z{constructor(e){super(e)}}s.Placeholder=E,_=E,E.__name__="Placeholder",_.define((({})=>({})));class G extends N{update(e,t,s){this.el.textContent=t.toString()}}s.IndexView=G,G.__name__="IndexView";class I extends E{constructor(e){super(e)}}s.Index=I,o=I,I.__name__="Index",o.prototype.default_view=G,o.define((({})=>({})));class k extends N{update(e,t,s){const n=(0,O._get_column_value)(this.model.field,e,t),a=null==n?"???":`${n}`;this.el.textContent=a}}s.ValueRefView=k,k.__name__="ValueRefView";class $ extends E{constructor(e){super(e)}}s.ValueRef=$,r=$,$.__name__="ValueRef",r.prototype.default_view=k,r.define((({String:e})=>({field:[e]})));class B extends k{render(){super.render(),this.value_el=(0,g.span)(),this.swatch_el=(0,g.span)({class:S.tooltip_color_block}," "),this.el.appendChild(this.value_el),this.el.appendChild(this.swatch_el)}update(e,t,s){const n=(0,O._get_column_value)(this.model.field,e,t),a=null==n?"???":`${n}`;this.el.textContent=a}}s.ColorRefView=B,B.__name__="ColorRefView";class L extends ${constructor(e){super(e)}}s.ColorRef=L,c=L,L.__name__="ColorRef",c.prototype.default_view=B,c.define((({Boolean:e})=>({hex:[e,!0],swatch:[e,!0]})));class j extends C{constructor(){super(...arguments),this.child_views=new Map}async lazy_initialize(){await super.lazy_initialize();const e=this.model.children.filter((e=>e instanceof v.Model));await(0,R.build_views)(this.child_views,e,{parent:this})}render(){super.render();const{style:e}=this.model;if(null!=e)if(e instanceof V.Styles)for(const t of e){const e=t.get_value();if((0,D.isString)(e)){const s=t.attr.replace(/_/g,"-");this.el.style.hasOwnProperty(s)&&this.el.style.setProperty(s,e)}}else for(const[t,s]of(0,M.entries)(e)){const e=t.replace(/_/g,"-");this.el.style.hasOwnProperty(e)&&this.el.style.setProperty(e,s)}for(const e of this.model.children)if((0,D.isString)(e)){const t=document.createTextNode(e);this.el.appendChild(t)}else{this.child_views.get(e).renderTo(this.el)}}}s.DOMElementView=j,j.__name__="DOMElementView";class q extends z{constructor(e){super(e)}}s.DOMElement=q,d=q,q.__name__="DOMElement",d.define((({String:e,Array:t,Dict:s,Or:n,Nullable:a,Ref:l})=>({style:[a(n(l(V.Styles),s(e))),null],children:[t(n(e,l(z),l(y.LayoutDOM))),[]]})));class F extends T.View{}s.ActionView=F,F.__name__="ActionView";class H extends v.Model{constructor(e){super(e)}}s.Action=H,p=H,H.__name__="Action",H.__module__="bokeh.models.dom",p.define((({})=>({})));class J extends j{constructor(){super(...arguments),this.action_views=new Map}async lazy_initialize(){await super.lazy_initialize(),await(0,R.build_views)(this.action_views,this.model.actions,{parent:this})}remove(){(0,R.remove_views)(this.action_views),super.remove()}update(e,t,s={}){!function n(a){for(const l of a.child_views.values())l instanceof N?l.update(e,t,s):l instanceof j&&n(l)}(this);for(const n of this.action_views.values())n.update(e,t,s)}}s.TemplateView=J,J.__name__="TemplateView",J.tag_name="div";class K extends q{}s.Template=K,u=K,K.__name__="Template",u.prototype.default_view=J,u.define((({Array:e,Ref:t})=>({actions:[e(t(H)),[]]})));class Q extends j{}s.SpanView=Q,Q.__name__="SpanView",Q.tag_name="span";class U extends q{}s.Span=U,m=U,U.__name__="Span",m.prototype.default_view=Q;class W extends j{}s.DivView=W,W.__name__="DivView",W.tag_name="div";class X extends q{}s.Div=X,w=X,X.__name__="Div",w.prototype.default_view=W;class Y extends j{}s.TableView=Y,Y.__name__="TableView",Y.tag_name="table";class Z extends q{}s.Table=Z,f=Z,Z.__name__="Table",f.prototype.default_view=Y;class ee extends j{}s.TableRowView=ee,ee.__name__="TableRowView",ee.tag_name="tr";class te extends q{}s.TableRow=te,h=te,te.__name__="TableRow",h.prototype.default_view=ee;const se=e(41),ne=e(234);class ae extends F{update(e,t,s){for(const[e,s]of(0,ne.enumerate)(this.model.groups))e.visible=t==s}}s.ToggleGroupView=ae,ae.__name__="ToggleGroupView";class le extends H{constructor(e){super(e)}}s.ToggleGroup=le,x=le,le.__name__="ToggleGroup",x.prototype.default_view=ae,x.define((({Array:e,Ref:t})=>({groups:[e(t(se.RendererGroup)),[]]})))}, +function _(l,n,u,_,e){var t;_();const o=l(53);class r extends 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+function _(t,o,e,n,s){var i;n();const l=t(15),c=t(53),r=t(224),a=t(232),u=t(234);class h extends c.Model{constructor(t){super(t)}get button_view(){return this.tools[0].button_view}get event_type(){return this.tools[0].event_type}get tooltip(){return this.tools[0].tooltip}get tool_name(){return this.tools[0].tool_name}get icon(){return this.tools[0].computed_icon}get computed_icon(){return this.icon}get toggleable(){const t=this.tools[0];return t instanceof a.InspectTool&&t.toggleable}initialize(){super.initialize(),this.do=new l.Signal0(this,"do")}connect_signals(){super.connect_signals(),this.connect(this.do,(()=>this.doit())),this.connect(this.properties.active.change,(()=>this.set_active()));for(const t of this.tools)this.connect(t.properties.active.change,(()=>{this.active=t.active}))}doit(){for(const t of this.tools)t.do.emit()}set_active(){for(const t of this.tools)t.active=this.active}get menu(){const{menu:t}=this.tools[0];if(null==t)return null;const o=[];for(const[e,n]of(0,u.enumerate)(t))if(null==e)o.push(null);else{const t=()=>{var t,o,e;for(const s of this.tools)null===(e=null===(o=null===(t=s.menu)||void 0===t?void 0:t[n])||void 0===o?void 0:o.handler)||void 0===e||e.call(o)};o.push(Object.assign(Object.assign({},e),{handler:t}))}return o}}e.ToolProxy=h,i=h,h.__name__="ToolProxy",i.define((({Boolean:t,Array:o,Ref:e})=>({tools:[o(e(r.ButtonTool)),[]],active:[t,!1],disabled:[t,!1]})))}, +function _(o,t,s,e,i){var n,r;e();const l=o(20),c=o(9),h=o(13),a=o(233),_=o(221),p=o(394),u=o(309),f=o(207);class y extends a.ToolbarBase{constructor(o){super(o)}initialize(){super.initialize(),this._merge_tools()}_merge_tools(){this._proxied_tools=[];const o={},t={},s={},e=[],i=[];for(const o of this.help)(0,c.includes)(i,o.redirect)||(e.push(o),i.push(o.redirect));this._proxied_tools.push(...e),this.help=e;for(const[o,t]of(0,h.entries)(this.gestures)){o in s||(s[o]={});for(const e of t.tools)e.type in s[o]||(s[o][e.type]=[]),s[o][e.type].push(e)}for(const t of this.inspectors)t.type in o||(o[t.type]=[]),o[t.type].push(t);for(const o of this.actions)o.type in t||(t[o.type]=[]),t[o.type].push(o);const n=(o,t=!1)=>{const s=new p.ToolProxy({tools:o,active:t});return this._proxied_tools.push(s),s};for(const o of(0,h.keys)(s)){const t=this.gestures[o];t.tools=[];for(const e of(0,h.keys)(s[o])){const i=s[o][e];if(i.length>0)if("multi"==o)for(const o of i){const s=n([o]);t.tools.push(s),this.connect(s.properties.active.change,(()=>this._active_change(s)))}else{const o=n(i);t.tools.push(o),this.connect(o.properties.active.change,(()=>this._active_change(o)))}}}this.actions=[];for(const[o,s]of(0,h.entries)(t))if("CustomAction"==o)for(const o of s)this.actions.push(n([o]));else s.length>0&&this.actions.push(n(s));this.inspectors=[];for(const t of(0,h.values)(o))t.length>0&&this.inspectors.push(n(t,!0));for(const[o,t]of(0,h.entries)(this.gestures))0!=t.tools.length&&(t.tools=(0,c.sort_by)(t.tools,(o=>o.default_order)),"pinch"!=o&&"scroll"!=o&&"multi"!=o&&(t.tools[0].active=!0))}}s.ProxyToolbar=y,n=y,y.__name__="ProxyToolbar",n.define((({Array:o,Ref:t})=>({toolbars:[o(t(_.Toolbar)),[]]})));class d extends u.LayoutDOMView{initialize(){this.model.toolbar.toolbar_location=this.model.toolbar_location,super.initialize()}get child_models(){return[this.model.toolbar]}_update_layout(){this.layout=new f.ContentBox(this.child_views[0].el);const{toolbar:o}=this.model;o.horizontal?this.layout.set_sizing({width_policy:"fit",min_width:100,height_policy:"fixed"}):this.layout.set_sizing({width_policy:"fixed",height_policy:"fit",min_height:100})}after_layout(){super.after_layout();const o=this.child_views[0];o.layout.bbox=this.layout.bbox,o.render()}}s.ToolbarBoxView=d,d.__name__="ToolbarBoxView";class b extends u.LayoutDOM{constructor(o){super(o)}}s.ToolbarBox=b,r=b,b.__name__="ToolbarBox",r.prototype.default_view=d,r.define((({Ref:o})=>({toolbar:[o(a.ToolbarBase)],toolbar_location:[l.Location,"right"]})))}, +function _(e,n,r,t,o){t();const s=e(1),u=e(53),c=(0,s.__importStar)(e(21)),a=e(8),l=e(13);r.resolve_defs=function(e,n){var r,t,o,s;function i(e){return null!=e.module?`${e.module}.${e.name}`:e.name}function f(e){if((0,a.isString)(e))switch(e){case"Any":return c.Any;case"Unknown":return c.Unknown;case"Boolean":return c.Boolean;case"Number":return c.Number;case"Int":return c.Int;case"String":return c.String;case"Null":return c.Null}else switch(e[0]){case"Nullable":{const[,n]=e;return c.Nullable(f(n))}case"Or":{const[,...n]=e;return c.Or(...n.map(f))}case"Tuple":{const[,n,...r]=e;return c.Tuple(f(n),...r.map(f))}case"Array":{const[,n]=e;return c.Array(f(n))}case"Struct":{const[,...n]=e,r=n.map((([e,n])=>[e,f(n)]));return c.Struct((0,l.to_object)(r))}case"Dict":{const[,n]=e;return c.Dict(f(n))}case"Map":{const[,n,r]=e;return c.Map(f(n),f(r))}case"Enum":{const[,...n]=e;return c.Enum(...n)}case"Ref":{const[,r]=e,t=n.get(i(r));if(null!=t)return c.Ref(t);throw new Error(`${i(r)} wasn't defined before referencing it`)}case"AnyRef":return c.AnyRef()}}for(const c of e){const e=(()=>{if(null==c.extends)return u.Model;{const e=n.get(i(c.extends));if(null!=e)return e;throw new Error(`base model ${i(c.extends)} of ${i(c)} is not defined`)}})(),a=((s=class extends e{}).__name__=c.name,s.__module__=c.module,s);for(const e of null!==(r=c.properties)&&void 0!==r?r:[]){const n=f(null!==(t=e.kind)&&void 0!==t?t:"Unknown");a.define({[e.name]:[n,e.default]})}for(const e of null!==(o=c.overrides)&&void 0!==o?o:[])a.override({[e.name]:e.default});n.register(a)}}}, +function _(n,e,t,o,i){o();const d=n(5),c=n(226),s=n(113),a=n(43),l=n(398);t.index={},t.add_document_standalone=async function(n,e,o=[],i=!1){const u=new Map;async function f(i){let d;const f=n.roots().indexOf(i),r=o[f];null!=r?d=r:e.classList.contains(l.BOKEH_ROOT)?d=e:(d=(0,a.div)({class:l.BOKEH_ROOT}),e.appendChild(d));const w=await(0,s.build_view)(i,{parent:null});return w instanceof c.DOMView&&w.renderTo(d),u.set(i,w),t.index[i.id]=w,w}for(const e of n.roots())await f(e);return i&&(window.document.title=n.title()),n.on_change((n=>{n instanceof d.RootAddedEvent?f(n.model):n instanceof d.RootRemovedEvent?function(n){const e=u.get(n);null!=e&&(e.remove(),u.delete(n),delete t.index[n.id])}(n.model):i&&n instanceof d.TitleChangedEvent&&(window.document.title=n.title)})),[...u.values()]}}, +function _(o,e,n,t,r){t();const l=o(43),d=o(44);function u(o){let e=document.getElementById(o);if(null==e)throw new Error(`Error rendering Bokeh model: could not find #${o} HTML tag`);if(!document.body.contains(e))throw new Error(`Error rendering Bokeh model: element #${o} must be under `);if("SCRIPT"==e.tagName){const o=(0,l.div)({class:n.BOKEH_ROOT});(0,l.replaceWith)(e,o),e=o}return e}n.BOKEH_ROOT=d.root,n._resolve_element=function(o){const{elementid:e}=o;return null!=e?u(e):document.body},n._resolve_root_elements=function(o){const e=[];if(null!=o.root_ids&&null!=o.roots)for(const n of o.root_ids)e.push(u(o.roots[n]));return e}}, +function _(n,o,t,s,e){s();const c=n(400),r=n(19),a=n(397);t._get_ws_url=function(n,o){let t,s="ws:";return"https:"==window.location.protocol&&(s="wss:"),null!=o?(t=document.createElement("a"),t.href=o):t=window.location,null!=n?"/"==n&&(n=""):n=t.pathname.replace(/\/+$/,""),`${s}//${t.host}${n}/ws`};const i={};t.add_document_from_session=async function(n,o,t,s=[],e=!1){const l=window.location.search.substr(1);let d;try{d=await function(n,o,t){const s=(0,c.parse_token)(o).session_id;n in i||(i[n]={});const e=i[n];return s in e||(e[s]=(0,c.pull_session)(n,o,t)),e[s]}(n,o,l)}catch(n){const t=(0,c.parse_token)(o).session_id;throw r.logger.error(`Failed to load Bokeh session ${t}: ${n}`),n}return(0,a.add_document_standalone)(d.document,t,s,e)}}, +function _(e,s,n,t,o){t();const r=e(19),i=e(5),c=e(401),l=e(402),_=e(403);n.DEFAULT_SERVER_WEBSOCKET_URL="ws://localhost:5006/ws",n.DEFAULT_TOKEN="eyJzZXNzaW9uX2lkIjogImRlZmF1bHQifQ";let h=0;function a(e){let s=e.split(".")[0];const n=s.length%4;return 0!=n&&(s+="=".repeat(4-n)),JSON.parse(atob(s.replace(/_/g,"/").replace(/-/g,"+")))}n.parse_token=a;class d{constructor(e=n.DEFAULT_SERVER_WEBSOCKET_URL,s=n.DEFAULT_TOKEN,t=null){this.url=e,this.token=s,this.args_string=t,this._number=h++,this.socket=null,this.session=null,this.closed_permanently=!1,this._current_handler=null,this._pending_replies=new Map,this._pending_messages=[],this._receiver=new l.Receiver,this.id=a(s).session_id.split(".")[0],r.logger.debug(`Creating websocket ${this._number} to '${this.url}' session '${this.id}'`)}async connect(){if(this.closed_permanently)throw new Error("Cannot connect() a closed ClientConnection");if(null!=this.socket)throw new Error("Already connected");this._current_handler=null,this._pending_replies.clear(),this._pending_messages=[];try{let e=`${this.url}`;return null!=this.args_string&&this.args_string.length>0&&(e+=`?${this.args_string}`),this.socket=new WebSocket(e,["bokeh",this.token]),new Promise(((e,s)=>{this.socket.binaryType="arraybuffer",this.socket.onopen=()=>this._on_open(e,s),this.socket.onmessage=e=>this._on_message(e),this.socket.onclose=e=>this._on_close(e,s),this.socket.onerror=()=>this._on_error(s)}))}catch(e){throw r.logger.error(`websocket creation failed to url: ${this.url}`),r.logger.error(` - ${e}`),e}}close(){this.closed_permanently||(r.logger.debug(`Permanently closing websocket connection ${this._number}`),this.closed_permanently=!0,null!=this.socket&&this.socket.close(1e3,`close method called on ClientConnection ${this._number}`),this.session._connection_closed())}_schedule_reconnect(e){setTimeout((()=>{this.closed_permanently||r.logger.info(`Websocket connection ${this._number} disconnected, will not attempt to reconnect`)}),e)}send(e){if(null==this.socket)throw new Error(`not connected so cannot send ${e}`);e.send(this.socket)}async send_with_reply(e){const s=await new Promise(((s,n)=>{this._pending_replies.set(e.msgid(),{resolve:s,reject:n}),this.send(e)}));if("ERROR"===s.msgtype())throw new Error(`Error reply ${s.content.text}`);return s}async _pull_doc_json(){const e=c.Message.create("PULL-DOC-REQ",{}),s=await this.send_with_reply(e);if(!("doc"in s.content))throw new Error("No 'doc' field in PULL-DOC-REPLY");return s.content.doc}async _repull_session_doc(e,s){var n;r.logger.debug(this.session?"Repulling session":"Pulling session for first time");try{const n=await this._pull_doc_json();if(null==this.session)if(this.closed_permanently)r.logger.debug("Got new document after connection was already closed"),s(new Error("The connection has been closed"));else{const s=i.Document.from_json(n),t=i.Document._compute_patch_since_json(n,s);if(t.events.length>0){r.logger.debug(`Sending ${t.events.length} changes from model construction back to server`);const e=c.Message.create("PATCH-DOC",{},t);this.send(e)}this.session=new _.ClientSession(this,s,this.id);for(const e of this._pending_messages)this.session.handle(e);this._pending_messages=[],r.logger.debug("Created a new session from new pulled doc"),e(this.session)}else this.session.document.replace_with_json(n),r.logger.debug("Updated existing session with new pulled doc")}catch(e){null===(n=console.trace)||void 0===n||n.call(console,e),r.logger.error(`Failed to repull session ${e}`),s(e instanceof Error?e:`${e}`)}}_on_open(e,s){r.logger.info(`Websocket connection ${this._number} is now open`),this._current_handler=n=>{this._awaiting_ack_handler(n,e,s)}}_on_message(e){null==this._current_handler&&r.logger.error("Got a message with no current handler set");try{this._receiver.consume(e.data)}catch(e){this._close_bad_protocol(`${e}`)}const s=this._receiver.message;if(null!=s){const e=s.problem();null!=e&&this._close_bad_protocol(e),this._current_handler(s)}}_on_close(e,s){r.logger.info(`Lost websocket ${this._number} connection, ${e.code} (${e.reason})`),this.socket=null,this._pending_replies.forEach((e=>e.reject("Disconnected"))),this._pending_replies.clear(),this.closed_permanently||this._schedule_reconnect(2e3),s(new Error(`Lost websocket connection, ${e.code} (${e.reason})`))}_on_error(e){r.logger.debug(`Websocket error on socket ${this._number}`);const s="Could not open websocket";r.logger.error(`Failed to connect to Bokeh server: ${s}`),e(new Error(s))}_close_bad_protocol(e){r.logger.error(`Closing connection: ${e}`),null!=this.socket&&this.socket.close(1002,e)}_awaiting_ack_handler(e,s,n){"ACK"===e.msgtype()?(this._current_handler=e=>this._steady_state_handler(e),this._repull_session_doc(s,n)):this._close_bad_protocol("First message was not an ACK")}_steady_state_handler(e){const s=e.reqid(),n=this._pending_replies.get(s);n?(this._pending_replies.delete(s),n.resolve(e)):this.session?this.session.handle(e):"PATCH-DOC"!=e.msgtype()&&this._pending_messages.push(e)}}n.ClientConnection=d,d.__name__="ClientConnection",n.pull_session=function(e,s,n){return new d(e,s,n).connect()}}, +function _(e,s,t,r,n){r();const i=e(34);class a{constructor(e,s,t){this.header=e,this.metadata=s,this.content=t,this.buffers=new Map}static assemble(e,s,t){const r=JSON.parse(e),n=JSON.parse(s),i=JSON.parse(t);return new a(r,n,i)}assemble_buffer(e,s){const t=null!=this.header.num_buffers?this.header.num_buffers:0;if(t<=this.buffers.size)throw new Error(`too many buffers received, expecting ${t}`);const{id:r}=JSON.parse(e);this.buffers.set(r,s)}static create(e,s,t={}){const r=a.create_header(e);return new a(r,s,t)}static create_header(e){return{msgid:(0,i.uniqueId)(),msgtype:e}}complete(){return null!=this.header&&null!=this.metadata&&null!=this.content&&(null==this.header.num_buffers||this.buffers.size==this.header.num_buffers)}send(e){if((null!=this.header.num_buffers?this.header.num_buffers:0)>0)throw new Error("BokehJS only supports receiving buffers, not sending");const s=JSON.stringify(this.header),t=JSON.stringify(this.metadata),r=JSON.stringify(this.content);e.send(s),e.send(t),e.send(r)}msgid(){return this.header.msgid}msgtype(){return this.header.msgtype}reqid(){return this.header.reqid}problem(){return"msgid"in this.header?"msgtype"in this.header?null:"No msgtype in header":"No msgid in header"}}t.Message=a,a.__name__="Message"}, +function _(e,t,s,_,r){_();const i=e(401),h=e(8);class a{constructor(){this.message=null,this._partial=null,this._fragments=[],this._buf_header=null,this._current_consumer=this._HEADER}consume(e){this._current_consumer(e)}_HEADER(e){this._assume_text(e),this.message=null,this._partial=null,this._fragments=[e],this._buf_header=null,this._current_consumer=this._METADATA}_METADATA(e){this._assume_text(e),this._fragments.push(e),this._current_consumer=this._CONTENT}_CONTENT(e){this._assume_text(e),this._fragments.push(e);const[t,s,_]=this._fragments.slice(0,3);this._partial=i.Message.assemble(t,s,_),this._check_complete()}_BUFFER_HEADER(e){this._assume_text(e),this._buf_header=e,this._current_consumer=this._BUFFER_PAYLOAD}_BUFFER_PAYLOAD(e){this._assume_binary(e),this._partial.assemble_buffer(this._buf_header,e),this._check_complete()}_assume_text(e){if(!(0,h.isString)(e))throw new Error("Expected text fragment but received binary fragment")}_assume_binary(e){if(!(e instanceof ArrayBuffer))throw new Error("Expected binary fragment but received text fragment")}_check_complete(){this._partial.complete()?(this.message=this._partial,this._current_consumer=this._HEADER):this._current_consumer=this._BUFFER_HEADER}}s.Receiver=a,a.__name__="Receiver"}, +function _(e,t,n,s,o){s();const c=e(5),i=e(401),_=e(19);class r{constructor(e,t,n){this._connection=e,this.document=t,this.id=n,this._document_listener=e=>{this._document_changed(e)},this.document.on_change(this._document_listener,!0)}handle(e){const t=e.msgtype();"PATCH-DOC"===t?this._handle_patch(e):"OK"===t?this._handle_ok(e):"ERROR"===t?this._handle_error(e):_.logger.debug(`Doing nothing with message ${e.msgtype()}`)}close(){this._connection.close()}_connection_closed(){this.document.remove_on_change(this._document_listener)}async request_server_info(){const e=i.Message.create("SERVER-INFO-REQ",{});return(await this._connection.send_with_reply(e)).content}async force_roundtrip(){await this.request_server_info()}_document_changed(e){if(e.setter_id===this.id)return;const t=e 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0)},_setOptionDisabled:function(t){this._super(t),this.element.attr("aria-disabled",t),this._toggleClass(null,"ui-state-disabled",!!t),this._toggleClass(this.headers.add(this.headers.next()),null,"ui-state-disabled",!!t)},_keydown:function(e){if(!e.altKey&&!e.ctrlKey){var i=t.ui.keyCode,s=this.headers.length,n=this.headers.index(e.target),o=!1;switch(e.keyCode){case i.RIGHT:case i.DOWN:o=this.headers[(n+1)%s];break;case i.LEFT:case i.UP:o=this.headers[(n-1+s)%s];break;case i.SPACE:case i.ENTER:this._eventHandler(e);break;case i.HOME:o=this.headers[0];break;case i.END:o=this.headers[s-1]}o&&(t(e.target).attr("tabIndex",-1),t(o).attr("tabIndex",0),t(o).trigger("focus"),e.preventDefault())}},_panelKeyDown:function(e){e.keyCode===t.ui.keyCode.UP&&e.ctrlKey&&t(e.currentTarget).prev().trigger("focus")},refresh:function(){var e=this.options;this._processPanels(),e.active===!1&&e.collapsible===!0||!this.headers.length?(e.active=!1,this.active=t()):e.active===!1?this._activate(0):this.active.length&&!t.contains(this.element[0],this.active[0])?this.headers.length===this.headers.find(".ui-state-disabled").length?(e.active=!1,this.active=t()):this._activate(Math.max(0,e.active-1)):e.active=this.headers.index(this.active),this._destroyIcons(),this._refresh()},_processPanels:function(){var t=this.headers,e=this.panels;this.headers=this.element.find(this.options.header),this._addClass(this.headers,"ui-accordion-header ui-accordion-header-collapsed","ui-state-default"),this.panels=this.headers.next().filter(":not(.ui-accordion-content-active)").hide(),this._addClass(this.panels,"ui-accordion-content","ui-helper-reset ui-widget-content"),e&&(this._off(t.not(this.headers)),this._off(e.not(this.panels)))},_refresh:function(){var 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i=t.extend({of:this.active},this.options.position);clearTimeout(this.timer),this.element.find(".ui-menu").not(e.parents(".ui-menu")).hide().attr("aria-hidden","true"),e.show().removeAttr("aria-hidden").attr("aria-expanded","true").position(i)},collapseAll:function(e,i){clearTimeout(this.timer),this.timer=this._delay(function(){var s=i?this.element:t(e&&e.target).closest(this.element.find(".ui-menu"));s.length||(s=this.element),this._close(s),this.blur(e),this._removeClass(s.find(".ui-state-active"),null,"ui-state-active"),this.activeMenu=s},this.delay)},_close:function(t){t||(t=this.active?this.active.parent():this.element),t.find(".ui-menu").hide().attr("aria-hidden","true").attr("aria-expanded","false")},_closeOnDocumentClick:function(e){return!t(e.target).closest(".ui-menu").length},_isDivider:function(t){return!/[^\-\u2014\u2013\s]/.test(t.text())},collapse:function(t){var 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e,i,s,n=this.element[0].nodeName.toLowerCase(),o="textarea"===n,a="input"===n; +this.isMultiLine=o||!a&&this._isContentEditable(this.element),this.valueMethod=this.element[o||a?"val":"text"],this.isNewMenu=!0,this._addClass("ui-autocomplete-input"),this.element.attr("autocomplete","off"),this._on(this.element,{keydown:function(n){if(this.element.prop("readOnly"))return e=!0,s=!0,i=!0,void 0;e=!1,s=!1,i=!1;var o=t.ui.keyCode;switch(n.keyCode){case o.PAGE_UP:e=!0,this._move("previousPage",n);break;case o.PAGE_DOWN:e=!0,this._move("nextPage",n);break;case o.UP:e=!0,this._keyEvent("previous",n);break;case o.DOWN:e=!0,this._keyEvent("next",n);break;case o.ENTER:this.menu.active&&(e=!0,n.preventDefault(),this.menu.select(n));break;case o.TAB:this.menu.active&&this.menu.select(n);break;case o.ESCAPE:this.menu.element.is(":visible")&&(this.isMultiLine||this._value(this.term),this.close(n),n.preventDefault());break;default:i=!0,this._searchTimeout(n)}},keypress:function(s){if(e)return e=!1,(!this.isMultiLine||this.menu.element.is(":visible"))&&s.preventDefault(),void 0;if(!i){var n=t.ui.keyCode;switch(s.keyCode){case n.PAGE_UP:this._move("previousPage",s);break;case n.PAGE_DOWN:this._move("nextPage",s);break;case n.UP:this._keyEvent("previous",s);break;case n.DOWN:this._keyEvent("next",s)}}},input:function(t){return s?(s=!1,t.preventDefault(),void 0):(this._searchTimeout(t),void 0)},focus:function(){this.selectedItem=null,this.previous=this._value()},blur:function(t){return this.cancelBlur?(delete this.cancelBlur,void 0):(clearTimeout(this.searching),this.close(t),this._change(t),void 0)}}),this._initSource(),this.menu=t("
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    ").text(s).appendTo(this.liveRegion)),void 0)},menuselect:function(e,i){var s=i.item.data("ui-autocomplete-item"),n=this.previous;this.element[0]!==t.ui.safeActiveElement(this.document[0])&&(this.element.trigger("focus"),this.previous=n,this._delay(function(){this.previous=n,this.selectedItem=s})),!1!==this._trigger("select",e,{item:s})&&this._value(s.value),this.term=this._value(),this.close(e),this.selectedItem=s}}),this.liveRegion=t("
    ",{role:"status","aria-live":"assertive","aria-relevant":"additions"}).appendTo(this.document[0].body),this._addClass(this.liveRegion,null,"ui-helper-hidden-accessible"),this._on(this.window,{beforeunload:function(){this.element.removeAttr("autocomplete")}})},_destroy:function(){clearTimeout(this.searching),this.element.removeAttr("autocomplete"),this.menu.element.remove(),this.liveRegion.remove()},_setOption:function(t,e){this._super(t,e),"source"===t&&this._initSource(),"appendTo"===t&&this.menu.element.appendTo(this._appendTo()),"disabled"===t&&e&&this.xhr&&this.xhr.abort()},_isEventTargetInWidget:function(e){var i=this.menu.element[0];return e.target===this.element[0]||e.target===i||t.contains(i,e.target)},_closeOnClickOutside:function(t){this._isEventTargetInWidget(t)||this.close()},_appendTo:function(){var e=this.options.appendTo;return e&&(e=e.jquery||e.nodeType?t(e):this.document.find(e).eq(0)),e&&e[0]||(e=this.element.closest(".ui-front, dialog")),e.length||(e=this.document[0].body),e},_initSource:function(){var e,i,s=this;t.isArray(this.options.source)?(e=this.options.source,this.source=function(i,s){s(t.ui.autocomplete.filter(e,i.term))}):"string"==typeof this.options.source?(i=this.options.source,this.source=function(e,n){s.xhr&&s.xhr.abort(),s.xhr=t.ajax({url:i,data:e,dataType:"json",success:function(t){n(t)},error:function(){n([])}})}):this.source=this.options.source},_searchTimeout:function(t){clearTimeout(this.searching),this.searching=this._delay(function(){var e=this.term===this._value(),i=this.menu.element.is(":visible"),s=t.altKey||t.ctrlKey||t.metaKey||t.shiftKey;(!e||e&&!i&&!s)&&(this.selectedItem=null,this.search(null,t))},this.options.delay)},search:function(t,e){return t=null!=t?t:this._value(),this.term=this._value(),t.length").append(t("
    ").text(i.label)).appendTo(e)},_move:function(t,e){return this.menu.element.is(":visible")?this.menu.isFirstItem()&&/^previous/.test(t)||this.menu.isLastItem()&&/^next/.test(t)?(this.isMultiLine||this._value(this.term),this.menu.blur(),void 0):(this.menu[t](e),void 0):(this.search(null,e),void 0)},widget:function(){return this.menu.element},_value:function(){return this.valueMethod.apply(this.element,arguments)},_keyEvent:function(t,e){(!this.isMultiLine||this.menu.element.is(":visible"))&&(this._move(t,e),e.preventDefault())},_isContentEditable:function(t){if(!t.length)return!1;var e=t.prop("contentEditable");return"inherit"===e?this._isContentEditable(t.parent()):"true"===e}}),t.extend(t.ui.autocomplete,{escapeRegex:function(t){return t.replace(/[\-\[\]{}()*+?.,\\\^$|#\s]/g,"\\$&")},filter:function(e,i){var s=RegExp(t.ui.autocomplete.escapeRegex(i),"i");return t.grep(e,function(t){return s.test(t.label||t.value||t)})}}),t.widget("ui.autocomplete",t.ui.autocomplete,{options:{messages:{noResults:"No search results.",results:function(t){return t+(t>1?" results are":" result is")+" available, use up and down arrow keys to navigate."}}},__response:function(e){var i;this._superApply(arguments),this.options.disabled||this.cancelSearch||(i=e&&e.length?this.options.messages.results(e.length):this.options.messages.noResults,this.liveRegion.children().hide(),t("
    ").text(i).appendTo(this.liveRegion))}}),t.ui.autocomplete;var g=/ui-corner-([a-z]){2,6}/g;t.widget("ui.controlgroup",{version:"1.12.1",defaultElement:"
    ",options:{direction:"horizontal",disabled:null,onlyVisible:!0,items:{button:"input[type=button], input[type=submit], input[type=reset], button, a",controlgroupLabel:".ui-controlgroup-label",checkboxradio:"input[type='checkbox'], input[type='radio']",selectmenu:"select",spinner:".ui-spinner-input"}},_create:function(){this._enhance()},_enhance:function(){this.element.attr("role","toolbar"),this.refresh()},_destroy:function(){this._callChildMethod("destroy"),this.childWidgets.removeData("ui-controlgroup-data"),this.element.removeAttr("role"),this.options.items.controlgroupLabel&&this.element.find(this.options.items.controlgroupLabel).find(".ui-controlgroup-label-contents").contents().unwrap()},_initWidgets:function(){var e=this,i=[];t.each(this.options.items,function(s,n){var o,a={};return n?"controlgroupLabel"===s?(o=e.element.find(n),o.each(function(){var e=t(this);e.children(".ui-controlgroup-label-contents").length||e.contents().wrapAll("")}),e._addClass(o,null,"ui-widget ui-widget-content ui-state-default"),i=i.concat(o.get()),void 0):(t.fn[s]&&(a=e["_"+s+"Options"]?e["_"+s+"Options"]("middle"):{classes:{}},e.element.find(n).each(function(){var n=t(this),o=n[s]("instance"),r=t.widget.extend({},a);if("button"!==s||!n.parent(".ui-spinner").length){o||(o=n[s]()[s]("instance")),o&&(r.classes=e._resolveClassesValues(r.classes,o)),n[s](r);var h=n[s]("widget");t.data(h[0],"ui-controlgroup-data",o?o:n[s]("instance")),i.push(h[0])}})),void 0):void 0}),this.childWidgets=t(t.unique(i)),this._addClass(this.childWidgets,"ui-controlgroup-item")},_callChildMethod:function(e){this.childWidgets.each(function(){var i=t(this),s=i.data("ui-controlgroup-data");s&&s[e]&&s[e]()})},_updateCornerClass:function(t,e){var i="ui-corner-top ui-corner-bottom ui-corner-left ui-corner-right ui-corner-all",s=this._buildSimpleOptions(e,"label").classes.label;this._removeClass(t,null,i),this._addClass(t,null,s)},_buildSimpleOptions:function(t,e){var i="vertical"===this.options.direction,s={classes:{}};return s.classes[e]={middle:"",first:"ui-corner-"+(i?"top":"left"),last:"ui-corner-"+(i?"bottom":"right"),only:"ui-corner-all"}[t],s},_spinnerOptions:function(t){var e=this._buildSimpleOptions(t,"ui-spinner");return e.classes["ui-spinner-up"]="",e.classes["ui-spinner-down"]="",e},_buttonOptions:function(t){return this._buildSimpleOptions(t,"ui-button")},_checkboxradioOptions:function(t){return this._buildSimpleOptions(t,"ui-checkboxradio-label")},_selectmenuOptions:function(t){var e="vertical"===this.options.direction;return{width:e?"auto":!1,classes:{middle:{"ui-selectmenu-button-open":"","ui-selectmenu-button-closed":""},first:{"ui-selectmenu-button-open":"ui-corner-"+(e?"top":"tl"),"ui-selectmenu-button-closed":"ui-corner-"+(e?"top":"left")},last:{"ui-selectmenu-button-open":e?"":"ui-corner-tr","ui-selectmenu-button-closed":"ui-corner-"+(e?"bottom":"right")},only:{"ui-selectmenu-button-open":"ui-corner-top","ui-selectmenu-button-closed":"ui-corner-all"}}[t]}},_resolveClassesValues:function(e,i){var s={};return t.each(e,function(n){var o=i.options.classes[n]||"";o=t.trim(o.replace(g,"")),s[n]=(o+" "+e[n]).replace(/\s+/g," ")}),s},_setOption:function(t,e){return"direction"===t&&this._removeClass("ui-controlgroup-"+this.options.direction),this._super(t,e),"disabled"===t?(this._callChildMethod(e?"disable":"enable"),void 0):(this.refresh(),void 0)},refresh:function(){var e,i=this;this._addClass("ui-controlgroup ui-controlgroup-"+this.options.direction),"horizontal"===this.options.direction&&this._addClass(null,"ui-helper-clearfix"),this._initWidgets(),e=this.childWidgets,this.options.onlyVisible&&(e=e.filter(":visible")),e.length&&(t.each(["first","last"],function(t,s){var n=e[s]().data("ui-controlgroup-data");if(n&&i["_"+n.widgetName+"Options"]){var o=i["_"+n.widgetName+"Options"](1===e.length?"only":s);o.classes=i._resolveClassesValues(o.classes,n),n.element[n.widgetName](o)}else i._updateCornerClass(e[s](),s)}),this._callChildMethod("refresh"))}}),t.widget("ui.checkboxradio",[t.ui.formResetMixin,{version:"1.12.1",options:{disabled:null,label:null,icon:!0,classes:{"ui-checkboxradio-label":"ui-corner-all","ui-checkboxradio-icon":"ui-corner-all"}},_getCreateOptions:function(){var e,i,s=this,n=this._super()||{};return this._readType(),i=this.element.labels(),this.label=t(i[i.length-1]),this.label.length||t.error("No label found for checkboxradio widget"),this.originalLabel="",this.label.contents().not(this.element[0]).each(function(){s.originalLabel+=3===this.nodeType?t(this).text():this.outerHTML}),this.originalLabel&&(n.label=this.originalLabel),e=this.element[0].disabled,null!=e&&(n.disabled=e),n},_create:function(){var t=this.element[0].checked;this._bindFormResetHandler(),null==this.options.disabled&&(this.options.disabled=this.element[0].disabled),this._setOption("disabled",this.options.disabled),this._addClass("ui-checkboxradio","ui-helper-hidden-accessible"),this._addClass(this.label,"ui-checkboxradio-label","ui-button ui-widget"),"radio"===this.type&&this._addClass(this.label,"ui-checkboxradio-radio-label"),this.options.label&&this.options.label!==this.originalLabel?this._updateLabel():this.originalLabel&&(this.options.label=this.originalLabel),this._enhance(),t&&(this._addClass(this.label,"ui-checkboxradio-checked","ui-state-active"),this.icon&&this._addClass(this.icon,null,"ui-state-hover")),this._on({change:"_toggleClasses",focus:function(){this._addClass(this.label,null,"ui-state-focus ui-visual-focus")},blur:function(){this._removeClass(this.label,null,"ui-state-focus ui-visual-focus")}})},_readType:function(){var e=this.element[0].nodeName.toLowerCase();this.type=this.element[0].type,"input"===e&&/radio|checkbox/.test(this.type)||t.error("Can't create checkboxradio on element.nodeName="+e+" and element.type="+this.type)},_enhance:function(){this._updateIcon(this.element[0].checked)},widget:function(){return this.label},_getRadioGroup:function(){var e,i=this.element[0].name,s="input[name='"+t.ui.escapeSelector(i)+"']";return i?(e=this.form.length?t(this.form[0].elements).filter(s):t(s).filter(function(){return 0===t(this).form().length}),e.not(this.element)):t([])},_toggleClasses:function(){var e=this.element[0].checked;this._toggleClass(this.label,"ui-checkboxradio-checked","ui-state-active",e),this.options.icon&&"checkbox"===this.type&&this._toggleClass(this.icon,null,"ui-icon-check ui-state-checked",e)._toggleClass(this.icon,null,"ui-icon-blank",!e),"radio"===this.type&&this._getRadioGroup().each(function(){var e=t(this).checkboxradio("instance");e&&e._removeClass(e.label,"ui-checkboxradio-checked","ui-state-active")})},_destroy:function(){this._unbindFormResetHandler(),this.icon&&(this.icon.remove(),this.iconSpace.remove())},_setOption:function(t,e){return"label"!==t||e?(this._super(t,e),"disabled"===t?(this._toggleClass(this.label,null,"ui-state-disabled",e),this.element[0].disabled=e,void 0):(this.refresh(),void 0)):void 0},_updateIcon:function(e){var i="ui-icon ui-icon-background ";this.options.icon?(this.icon||(this.icon=t(""),this.iconSpace=t(" "),this._addClass(this.iconSpace,"ui-checkboxradio-icon-space")),"checkbox"===this.type?(i+=e?"ui-icon-check ui-state-checked":"ui-icon-blank",this._removeClass(this.icon,null,e?"ui-icon-blank":"ui-icon-check")):i+="ui-icon-blank",this._addClass(this.icon,"ui-checkboxradio-icon",i),e||this._removeClass(this.icon,null,"ui-icon-check ui-state-checked"),this.icon.prependTo(this.label).after(this.iconSpace)):void 0!==this.icon&&(this.icon.remove(),this.iconSpace.remove(),delete this.icon)},_updateLabel:function(){var t=this.label.contents().not(this.element[0]);this.icon&&(t=t.not(this.icon[0])),this.iconSpace&&(t=t.not(this.iconSpace[0])),t.remove(),this.label.append(this.options.label)},refresh:function(){var t=this.element[0].checked,e=this.element[0].disabled;this._updateIcon(t),this._toggleClass(this.label,"ui-checkboxradio-checked","ui-state-active",t),null!==this.options.label&&this._updateLabel(),e!==this.options.disabled&&this._setOptions({disabled:e})}}]),t.ui.checkboxradio,t.widget("ui.button",{version:"1.12.1",defaultElement:"").addClass(this._triggerClass).html(o?t("").attr({src:o,alt:n,title:n}):n)),e[r?"before":"after"](i.trigger),i.trigger.on("click",function(){return t.datepicker._datepickerShowing&&t.datepicker._lastInput===e[0]?t.datepicker._hideDatepicker():t.datepicker._datepickerShowing&&t.datepicker._lastInput!==e[0]?(t.datepicker._hideDatepicker(),t.datepicker._showDatepicker(e[0])):t.datepicker._showDatepicker(e[0]),!1}))},_autoSize:function(t){if(this._get(t,"autoSize")&&!t.inline){var e,i,s,n,o=new Date(2009,11,20),a=this._get(t,"dateFormat");a.match(/[DM]/)&&(e=function(t){for(i=0,s=0,n=0;t.length>n;n++)t[n].length>i&&(i=t[n].length,s=n);return s},o.setMonth(e(this._get(t,a.match(/MM/)?"monthNames":"monthNamesShort"))),o.setDate(e(this._get(t,a.match(/DD/)?"dayNames":"dayNamesShort"))+20-o.getDay())),t.input.attr("size",this._formatDate(t,o).length)}},_inlineDatepicker:function(e,i){var s=t(e);s.hasClass(this.markerClassName)||(s.addClass(this.markerClassName).append(i.dpDiv),t.data(e,"datepicker",i),this._setDate(i,this._getDefaultDate(i),!0),this._updateDatepicker(i),this._updateAlternate(i),i.settings.disabled&&this._disableDatepicker(e),i.dpDiv.css("display","block"))},_dialogDatepicker:function(e,i,s,n,o){var r,h,l,c,u,d=this._dialogInst;return d||(this.uuid+=1,r="dp"+this.uuid,this._dialogInput=t(""),this._dialogInput.on("keydown",this._doKeyDown),t("body").append(this._dialogInput),d=this._dialogInst=this._newInst(this._dialogInput,!1),d.settings={},t.data(this._dialogInput[0],"datepicker",d)),a(d.settings,n||{}),i=i&&i.constructor===Date?this._formatDate(d,i):i,this._dialogInput.val(i),this._pos=o?o.length?o:[o.pageX,o.pageY]:null,this._pos||(h=document.documentElement.clientWidth,l=document.documentElement.clientHeight,c=document.documentElement.scrollLeft||document.body.scrollLeft,u=document.documentElement.scrollTop||document.body.scrollTop,this._pos=[h/2-100+c,l/2-150+u]),this._dialogInput.css("left",this._pos[0]+20+"px").css("top",this._pos[1]+"px"),d.settings.onSelect=s,this._inDialog=!0,this.dpDiv.addClass(this._dialogClass),this._showDatepicker(this._dialogInput[0]),t.blockUI&&t.blockUI(this.dpDiv),t.data(this._dialogInput[0],"datepicker",d),this},_destroyDatepicker:function(e){var i,s=t(e),n=t.data(e,"datepicker");s.hasClass(this.markerClassName)&&(i=e.nodeName.toLowerCase(),t.removeData(e,"datepicker"),"input"===i?(n.append.remove(),n.trigger.remove(),s.removeClass(this.markerClassName).off("focus",this._showDatepicker).off("keydown",this._doKeyDown).off("keypress",this._doKeyPress).off("keyup",this._doKeyUp)):("div"===i||"span"===i)&&s.removeClass(this.markerClassName).empty(),m===n&&(m=null))},_enableDatepicker:function(e){var i,s,n=t(e),o=t.data(e,"datepicker");n.hasClass(this.markerClassName)&&(i=e.nodeName.toLowerCase(),"input"===i?(e.disabled=!1,o.trigger.filter("button").each(function(){this.disabled=!1}).end().filter("img").css({opacity:"1.0",cursor:""})):("div"===i||"span"===i)&&(s=n.children("."+this._inlineClass),s.children().removeClass("ui-state-disabled"),s.find("select.ui-datepicker-month, select.ui-datepicker-year").prop("disabled",!1)),this._disabledInputs=t.map(this._disabledInputs,function(t){return t===e?null:t}))},_disableDatepicker:function(e){var i,s,n=t(e),o=t.data(e,"datepicker");n.hasClass(this.markerClassName)&&(i=e.nodeName.toLowerCase(),"input"===i?(e.disabled=!0,o.trigger.filter("button").each(function(){this.disabled=!0}).end().filter("img").css({opacity:"0.5",cursor:"default"})):("div"===i||"span"===i)&&(s=n.children("."+this._inlineClass),s.children().addClass("ui-state-disabled"),s.find("select.ui-datepicker-month, select.ui-datepicker-year").prop("disabled",!0)),this._disabledInputs=t.map(this._disabledInputs,function(t){return t===e?null:t}),this._disabledInputs[this._disabledInputs.length]=e)},_isDisabledDatepicker:function(t){if(!t)return!1;for(var e=0;this._disabledInputs.length>e;e++)if(this._disabledInputs[e]===t)return!0;return!1},_getInst:function(e){try{return t.data(e,"datepicker")}catch(i){throw"Missing instance data for this datepicker"}},_optionDatepicker:function(e,i,s){var n,o,r,h,l=this._getInst(e);return 2===arguments.length&&"string"==typeof i?"defaults"===i?t.extend({},t.datepicker._defaults):l?"all"===i?t.extend({},l.settings):this._get(l,i):null:(n=i||{},"string"==typeof i&&(n={},n[i]=s),l&&(this._curInst===l&&this._hideDatepicker(),o=this._getDateDatepicker(e,!0),r=this._getMinMaxDate(l,"min"),h=this._getMinMaxDate(l,"max"),a(l.settings,n),null!==r&&void 0!==n.dateFormat&&void 0===n.minDate&&(l.settings.minDate=this._formatDate(l,r)),null!==h&&void 0!==n.dateFormat&&void 0===n.maxDate&&(l.settings.maxDate=this._formatDate(l,h)),"disabled"in n&&(n.disabled?this._disableDatepicker(e):this._enableDatepicker(e)),this._attachments(t(e),l),this._autoSize(l),this._setDate(l,o),this._updateAlternate(l),this._updateDatepicker(l)),void 0)},_changeDatepicker:function(t,e,i){this._optionDatepicker(t,e,i)},_refreshDatepicker:function(t){var e=this._getInst(t);e&&this._updateDatepicker(e)},_setDateDatepicker:function(t,e){var i=this._getInst(t);i&&(this._setDate(i,e),this._updateDatepicker(i),this._updateAlternate(i))},_getDateDatepicker:function(t,e){var i=this._getInst(t);return i&&!i.inline&&this._setDateFromField(i,e),i?this._getDate(i):null},_doKeyDown:function(e){var i,s,n,o=t.datepicker._getInst(e.target),a=!0,r=o.dpDiv.is(".ui-datepicker-rtl");if(o._keyEvent=!0,t.datepicker._datepickerShowing)switch(e.keyCode){case 9:t.datepicker._hideDatepicker(),a=!1;break;case 13:return n=t("td."+t.datepicker._dayOverClass+":not(."+t.datepicker._currentClass+")",o.dpDiv),n[0]&&t.datepicker._selectDay(e.target,o.selectedMonth,o.selectedYear,n[0]),i=t.datepicker._get(o,"onSelect"),i?(s=t.datepicker._formatDate(o),i.apply(o.input?o.input[0]:null,[s,o])):t.datepicker._hideDatepicker(),!1;case 27:t.datepicker._hideDatepicker();break;case 33:t.datepicker._adjustDate(e.target,e.ctrlKey?-t.datepicker._get(o,"stepBigMonths"):-t.datepicker._get(o,"stepMonths"),"M");break;case 34:t.datepicker._adjustDate(e.target,e.ctrlKey?+t.datepicker._get(o,"stepBigMonths"):+t.datepicker._get(o,"stepMonths"),"M");break;case 35:(e.ctrlKey||e.metaKey)&&t.datepicker._clearDate(e.target),a=e.ctrlKey||e.metaKey;break;case 36:(e.ctrlKey||e.metaKey)&&t.datepicker._gotoToday(e.target),a=e.ctrlKey||e.metaKey;break;case 37:(e.ctrlKey||e.metaKey)&&t.datepicker._adjustDate(e.target,r?1:-1,"D"),a=e.ctrlKey||e.metaKey,e.originalEvent.altKey&&t.datepicker._adjustDate(e.target,e.ctrlKey?-t.datepicker._get(o,"stepBigMonths"):-t.datepicker._get(o,"stepMonths"),"M");break;case 38:(e.ctrlKey||e.metaKey)&&t.datepicker._adjustDate(e.target,-7,"D"),a=e.ctrlKey||e.metaKey;break;case 39:(e.ctrlKey||e.metaKey)&&t.datepicker._adjustDate(e.target,r?-1:1,"D"),a=e.ctrlKey||e.metaKey,e.originalEvent.altKey&&t.datepicker._adjustDate(e.target,e.ctrlKey?+t.datepicker._get(o,"stepBigMonths"):+t.datepicker._get(o,"stepMonths"),"M");break;case 40:(e.ctrlKey||e.metaKey)&&t.datepicker._adjustDate(e.target,7,"D"),a=e.ctrlKey||e.metaKey;break;default:a=!1}else 36===e.keyCode&&e.ctrlKey?t.datepicker._showDatepicker(this):a=!1;a&&(e.preventDefault(),e.stopPropagation())},_doKeyPress:function(e){var i,s,n=t.datepicker._getInst(e.target);return t.datepicker._get(n,"constrainInput")?(i=t.datepicker._possibleChars(t.datepicker._get(n,"dateFormat")),s=String.fromCharCode(null==e.charCode?e.keyCode:e.charCode),e.ctrlKey||e.metaKey||" ">s||!i||i.indexOf(s)>-1):void 0},_doKeyUp:function(e){var i,s=t.datepicker._getInst(e.target);if(s.input.val()!==s.lastVal)try{i=t.datepicker.parseDate(t.datepicker._get(s,"dateFormat"),s.input?s.input.val():null,t.datepicker._getFormatConfig(s)),i&&(t.datepicker._setDateFromField(s),t.datepicker._updateAlternate(s),t.datepicker._updateDatepicker(s))}catch(n){}return!0},_showDatepicker:function(e){if(e=e.target||e,"input"!==e.nodeName.toLowerCase()&&(e=t("input",e.parentNode)[0]),!t.datepicker._isDisabledDatepicker(e)&&t.datepicker._lastInput!==e){var s,n,o,r,h,l,c;s=t.datepicker._getInst(e),t.datepicker._curInst&&t.datepicker._curInst!==s&&(t.datepicker._curInst.dpDiv.stop(!0,!0),s&&t.datepicker._datepickerShowing&&t.datepicker._hideDatepicker(t.datepicker._curInst.input[0])),n=t.datepicker._get(s,"beforeShow"),o=n?n.apply(e,[e,s]):{},o!==!1&&(a(s.settings,o),s.lastVal=null,t.datepicker._lastInput=e,t.datepicker._setDateFromField(s),t.datepicker._inDialog&&(e.value=""),t.datepicker._pos||(t.datepicker._pos=t.datepicker._findPos(e),t.datepicker._pos[1]+=e.offsetHeight),r=!1,t(e).parents().each(function(){return r|="fixed"===t(this).css("position"),!r}),h={left:t.datepicker._pos[0],top:t.datepicker._pos[1]},t.datepicker._pos=null,s.dpDiv.empty(),s.dpDiv.css({position:"absolute",display:"block",top:"-1000px"}),t.datepicker._updateDatepicker(s),h=t.datepicker._checkOffset(s,h,r),s.dpDiv.css({position:t.datepicker._inDialog&&t.blockUI?"static":r?"fixed":"absolute",display:"none",left:h.left+"px",top:h.top+"px"}),s.inline||(l=t.datepicker._get(s,"showAnim"),c=t.datepicker._get(s,"duration"),s.dpDiv.css("z-index",i(t(e))+1),t.datepicker._datepickerShowing=!0,t.effects&&t.effects.effect[l]?s.dpDiv.show(l,t.datepicker._get(s,"showOptions"),c):s.dpDiv[l||"show"](l?c:null),t.datepicker._shouldFocusInput(s)&&s.input.trigger("focus"),t.datepicker._curInst=s)) +}},_updateDatepicker:function(e){this.maxRows=4,m=e,e.dpDiv.empty().append(this._generateHTML(e)),this._attachHandlers(e);var i,s=this._getNumberOfMonths(e),n=s[1],a=17,r=e.dpDiv.find("."+this._dayOverClass+" a");r.length>0&&o.apply(r.get(0)),e.dpDiv.removeClass("ui-datepicker-multi-2 ui-datepicker-multi-3 ui-datepicker-multi-4").width(""),n>1&&e.dpDiv.addClass("ui-datepicker-multi-"+n).css("width",a*n+"em"),e.dpDiv[(1!==s[0]||1!==s[1]?"add":"remove")+"Class"]("ui-datepicker-multi"),e.dpDiv[(this._get(e,"isRTL")?"add":"remove")+"Class"]("ui-datepicker-rtl"),e===t.datepicker._curInst&&t.datepicker._datepickerShowing&&t.datepicker._shouldFocusInput(e)&&e.input.trigger("focus"),e.yearshtml&&(i=e.yearshtml,setTimeout(function(){i===e.yearshtml&&e.yearshtml&&e.dpDiv.find("select.ui-datepicker-year:first").replaceWith(e.yearshtml),i=e.yearshtml=null},0))},_shouldFocusInput:function(t){return t.input&&t.input.is(":visible")&&!t.input.is(":disabled")&&!t.input.is(":focus")},_checkOffset:function(e,i,s){var n=e.dpDiv.outerWidth(),o=e.dpDiv.outerHeight(),a=e.input?e.input.outerWidth():0,r=e.input?e.input.outerHeight():0,h=document.documentElement.clientWidth+(s?0:t(document).scrollLeft()),l=document.documentElement.clientHeight+(s?0:t(document).scrollTop());return i.left-=this._get(e,"isRTL")?n-a:0,i.left-=s&&i.left===e.input.offset().left?t(document).scrollLeft():0,i.top-=s&&i.top===e.input.offset().top+r?t(document).scrollTop():0,i.left-=Math.min(i.left,i.left+n>h&&h>n?Math.abs(i.left+n-h):0),i.top-=Math.min(i.top,i.top+o>l&&l>o?Math.abs(o+r):0),i},_findPos:function(e){for(var i,s=this._getInst(e),n=this._get(s,"isRTL");e&&("hidden"===e.type||1!==e.nodeType||t.expr.filters.hidden(e));)e=e[n?"previousSibling":"nextSibling"];return i=t(e).offset(),[i.left,i.top]},_hideDatepicker:function(e){var i,s,n,o,a=this._curInst;!a||e&&a!==t.data(e,"datepicker")||this._datepickerShowing&&(i=this._get(a,"showAnim"),s=this._get(a,"duration"),n=function(){t.datepicker._tidyDialog(a)},t.effects&&(t.effects.effect[i]||t.effects[i])?a.dpDiv.hide(i,t.datepicker._get(a,"showOptions"),s,n):a.dpDiv["slideDown"===i?"slideUp":"fadeIn"===i?"fadeOut":"hide"](i?s:null,n),i||n(),this._datepickerShowing=!1,o=this._get(a,"onClose"),o&&o.apply(a.input?a.input[0]:null,[a.input?a.input.val():"",a]),this._lastInput=null,this._inDialog&&(this._dialogInput.css({position:"absolute",left:"0",top:"-100px"}),t.blockUI&&(t.unblockUI(),t("body").append(this.dpDiv))),this._inDialog=!1)},_tidyDialog:function(t){t.dpDiv.removeClass(this._dialogClass).off(".ui-datepicker-calendar")},_checkExternalClick:function(e){if(t.datepicker._curInst){var i=t(e.target),s=t.datepicker._getInst(i[0]);(i[0].id!==t.datepicker._mainDivId&&0===i.parents("#"+t.datepicker._mainDivId).length&&!i.hasClass(t.datepicker.markerClassName)&&!i.closest("."+t.datepicker._triggerClass).length&&t.datepicker._datepickerShowing&&(!t.datepicker._inDialog||!t.blockUI)||i.hasClass(t.datepicker.markerClassName)&&t.datepicker._curInst!==s)&&t.datepicker._hideDatepicker()}},_adjustDate:function(e,i,s){var n=t(e),o=this._getInst(n[0]);this._isDisabledDatepicker(n[0])||(this._adjustInstDate(o,i+("M"===s?this._get(o,"showCurrentAtPos"):0),s),this._updateDatepicker(o))},_gotoToday:function(e){var i,s=t(e),n=this._getInst(s[0]);this._get(n,"gotoCurrent")&&n.currentDay?(n.selectedDay=n.currentDay,n.drawMonth=n.selectedMonth=n.currentMonth,n.drawYear=n.selectedYear=n.currentYear):(i=new Date,n.selectedDay=i.getDate(),n.drawMonth=n.selectedMonth=i.getMonth(),n.drawYear=n.selectedYear=i.getFullYear()),this._notifyChange(n),this._adjustDate(s)},_selectMonthYear:function(e,i,s){var n=t(e),o=this._getInst(n[0]);o["selected"+("M"===s?"Month":"Year")]=o["draw"+("M"===s?"Month":"Year")]=parseInt(i.options[i.selectedIndex].value,10),this._notifyChange(o),this._adjustDate(n)},_selectDay:function(e,i,s,n){var o,a=t(e);t(n).hasClass(this._unselectableClass)||this._isDisabledDatepicker(a[0])||(o=this._getInst(a[0]),o.selectedDay=o.currentDay=t("a",n).html(),o.selectedMonth=o.currentMonth=i,o.selectedYear=o.currentYear=s,this._selectDate(e,this._formatDate(o,o.currentDay,o.currentMonth,o.currentYear)))},_clearDate:function(e){var i=t(e);this._selectDate(i,"")},_selectDate:function(e,i){var s,n=t(e),o=this._getInst(n[0]);i=null!=i?i:this._formatDate(o),o.input&&o.input.val(i),this._updateAlternate(o),s=this._get(o,"onSelect"),s?s.apply(o.input?o.input[0]:null,[i,o]):o.input&&o.input.trigger("change"),o.inline?this._updateDatepicker(o):(this._hideDatepicker(),this._lastInput=o.input[0],"object"!=typeof o.input[0]&&o.input.trigger("focus"),this._lastInput=null)},_updateAlternate:function(e){var i,s,n,o=this._get(e,"altField");o&&(i=this._get(e,"altFormat")||this._get(e,"dateFormat"),s=this._getDate(e),n=this.formatDate(i,s,this._getFormatConfig(e)),t(o).val(n))},noWeekends:function(t){var e=t.getDay();return[e>0&&6>e,""]},iso8601Week:function(t){var e,i=new Date(t.getTime());return i.setDate(i.getDate()+4-(i.getDay()||7)),e=i.getTime(),i.setMonth(0),i.setDate(1),Math.floor(Math.round((e-i)/864e5)/7)+1},parseDate:function(e,i,s){if(null==e||null==i)throw"Invalid arguments";if(i="object"==typeof i?""+i:i+"",""===i)return null;var n,o,a,r,h=0,l=(s?s.shortYearCutoff:null)||this._defaults.shortYearCutoff,c="string"!=typeof l?l:(new Date).getFullYear()%100+parseInt(l,10),u=(s?s.dayNamesShort:null)||this._defaults.dayNamesShort,d=(s?s.dayNames:null)||this._defaults.dayNames,p=(s?s.monthNamesShort:null)||this._defaults.monthNamesShort,f=(s?s.monthNames:null)||this._defaults.monthNames,g=-1,m=-1,_=-1,v=-1,b=!1,y=function(t){var i=e.length>n+1&&e.charAt(n+1)===t;return i&&n++,i},w=function(t){var e=y(t),s="@"===t?14:"!"===t?20:"y"===t&&e?4:"o"===t?3:2,n="y"===t?s:1,o=RegExp("^\\d{"+n+","+s+"}"),a=i.substring(h).match(o);if(!a)throw"Missing number at position "+h;return h+=a[0].length,parseInt(a[0],10)},k=function(e,s,n){var o=-1,a=t.map(y(e)?n:s,function(t,e){return[[e,t]]}).sort(function(t,e){return-(t[1].length-e[1].length)});if(t.each(a,function(t,e){var s=e[1];return i.substr(h,s.length).toLowerCase()===s.toLowerCase()?(o=e[0],h+=s.length,!1):void 0}),-1!==o)return o+1;throw"Unknown name at position "+h},x=function(){if(i.charAt(h)!==e.charAt(n))throw"Unexpected literal at position "+h;h++};for(n=0;e.length>n;n++)if(b)"'"!==e.charAt(n)||y("'")?x():b=!1;else switch(e.charAt(n)){case"d":_=w("d");break;case"D":k("D",u,d);break;case"o":v=w("o");break;case"m":m=w("m");break;case"M":m=k("M",p,f);break;case"y":g=w("y");break;case"@":r=new Date(w("@")),g=r.getFullYear(),m=r.getMonth()+1,_=r.getDate();break;case"!":r=new Date((w("!")-this._ticksTo1970)/1e4),g=r.getFullYear(),m=r.getMonth()+1,_=r.getDate();break;case"'":y("'")?x():b=!0;break;default:x()}if(i.length>h&&(a=i.substr(h),!/^\s+/.test(a)))throw"Extra/unparsed characters found in date: "+a;if(-1===g?g=(new Date).getFullYear():100>g&&(g+=(new Date).getFullYear()-(new Date).getFullYear()%100+(c>=g?0:-100)),v>-1)for(m=1,_=v;;){if(o=this._getDaysInMonth(g,m-1),o>=_)break;m++,_-=o}if(r=this._daylightSavingAdjust(new Date(g,m-1,_)),r.getFullYear()!==g||r.getMonth()+1!==m||r.getDate()!==_)throw"Invalid date";return r},ATOM:"yy-mm-dd",COOKIE:"D, dd M yy",ISO_8601:"yy-mm-dd",RFC_822:"D, d M y",RFC_850:"DD, dd-M-y",RFC_1036:"D, d M y",RFC_1123:"D, d M yy",RFC_2822:"D, d M yy",RSS:"D, d M y",TICKS:"!",TIMESTAMP:"@",W3C:"yy-mm-dd",_ticksTo1970:1e7*60*60*24*(718685+Math.floor(492.5)-Math.floor(19.7)+Math.floor(4.925)),formatDate:function(t,e,i){if(!e)return"";var s,n=(i?i.dayNamesShort:null)||this._defaults.dayNamesShort,o=(i?i.dayNames:null)||this._defaults.dayNames,a=(i?i.monthNamesShort:null)||this._defaults.monthNamesShort,r=(i?i.monthNames:null)||this._defaults.monthNames,h=function(e){var i=t.length>s+1&&t.charAt(s+1)===e;return i&&s++,i},l=function(t,e,i){var s=""+e;if(h(t))for(;i>s.length;)s="0"+s;return s},c=function(t,e,i,s){return h(t)?s[e]:i[e]},u="",d=!1;if(e)for(s=0;t.length>s;s++)if(d)"'"!==t.charAt(s)||h("'")?u+=t.charAt(s):d=!1;else switch(t.charAt(s)){case"d":u+=l("d",e.getDate(),2);break;case"D":u+=c("D",e.getDay(),n,o);break;case"o":u+=l("o",Math.round((new Date(e.getFullYear(),e.getMonth(),e.getDate()).getTime()-new Date(e.getFullYear(),0,0).getTime())/864e5),3);break;case"m":u+=l("m",e.getMonth()+1,2);break;case"M":u+=c("M",e.getMonth(),a,r);break;case"y":u+=h("y")?e.getFullYear():(10>e.getFullYear()%100?"0":"")+e.getFullYear()%100;break;case"@":u+=e.getTime();break;case"!":u+=1e4*e.getTime()+this._ticksTo1970;break;case"'":h("'")?u+="'":d=!0;break;default:u+=t.charAt(s)}return u},_possibleChars:function(t){var e,i="",s=!1,n=function(i){var s=t.length>e+1&&t.charAt(e+1)===i;return s&&e++,s};for(e=0;t.length>e;e++)if(s)"'"!==t.charAt(e)||n("'")?i+=t.charAt(e):s=!1;else switch(t.charAt(e)){case"d":case"m":case"y":case"@":i+="0123456789";break;case"D":case"M":return null;case"'":n("'")?i+="'":s=!0;break;default:i+=t.charAt(e)}return i},_get:function(t,e){return void 0!==t.settings[e]?t.settings[e]:this._defaults[e]},_setDateFromField:function(t,e){if(t.input.val()!==t.lastVal){var i=this._get(t,"dateFormat"),s=t.lastVal=t.input?t.input.val():null,n=this._getDefaultDate(t),o=n,a=this._getFormatConfig(t);try{o=this.parseDate(i,s,a)||n}catch(r){s=e?"":s}t.selectedDay=o.getDate(),t.drawMonth=t.selectedMonth=o.getMonth(),t.drawYear=t.selectedYear=o.getFullYear(),t.currentDay=s?o.getDate():0,t.currentMonth=s?o.getMonth():0,t.currentYear=s?o.getFullYear():0,this._adjustInstDate(t)}},_getDefaultDate:function(t){return this._restrictMinMax(t,this._determineDate(t,this._get(t,"defaultDate"),new Date))},_determineDate:function(e,i,s){var n=function(t){var e=new Date;return e.setDate(e.getDate()+t),e},o=function(i){try{return t.datepicker.parseDate(t.datepicker._get(e,"dateFormat"),i,t.datepicker._getFormatConfig(e))}catch(s){}for(var n=(i.toLowerCase().match(/^c/)?t.datepicker._getDate(e):null)||new Date,o=n.getFullYear(),a=n.getMonth(),r=n.getDate(),h=/([+\-]?[0-9]+)\s*(d|D|w|W|m|M|y|Y)?/g,l=h.exec(i);l;){switch(l[2]||"d"){case"d":case"D":r+=parseInt(l[1],10);break;case"w":case"W":r+=7*parseInt(l[1],10);break;case"m":case"M":a+=parseInt(l[1],10),r=Math.min(r,t.datepicker._getDaysInMonth(o,a));break;case"y":case"Y":o+=parseInt(l[1],10),r=Math.min(r,t.datepicker._getDaysInMonth(o,a))}l=h.exec(i)}return new Date(o,a,r)},a=null==i||""===i?s:"string"==typeof i?o(i):"number"==typeof i?isNaN(i)?s:n(i):new Date(i.getTime());return a=a&&"Invalid Date"==""+a?s:a,a&&(a.setHours(0),a.setMinutes(0),a.setSeconds(0),a.setMilliseconds(0)),this._daylightSavingAdjust(a)},_daylightSavingAdjust:function(t){return t?(t.setHours(t.getHours()>12?t.getHours()+2:0),t):null},_setDate:function(t,e,i){var s=!e,n=t.selectedMonth,o=t.selectedYear,a=this._restrictMinMax(t,this._determineDate(t,e,new Date));t.selectedDay=t.currentDay=a.getDate(),t.drawMonth=t.selectedMonth=t.currentMonth=a.getMonth(),t.drawYear=t.selectedYear=t.currentYear=a.getFullYear(),n===t.selectedMonth&&o===t.selectedYear||i||this._notifyChange(t),this._adjustInstDate(t),t.input&&t.input.val(s?"":this._formatDate(t))},_getDate:function(t){var e=!t.currentYear||t.input&&""===t.input.val()?null:this._daylightSavingAdjust(new Date(t.currentYear,t.currentMonth,t.currentDay));return e},_attachHandlers:function(e){var i=this._get(e,"stepMonths"),s="#"+e.id.replace(/\\\\/g,"\\");e.dpDiv.find("[data-handler]").map(function(){var e={prev:function(){t.datepicker._adjustDate(s,-i,"M")},next:function(){t.datepicker._adjustDate(s,+i,"M")},hide:function(){t.datepicker._hideDatepicker()},today:function(){t.datepicker._gotoToday(s)},selectDay:function(){return t.datepicker._selectDay(s,+this.getAttribute("data-month"),+this.getAttribute("data-year"),this),!1},selectMonth:function(){return t.datepicker._selectMonthYear(s,this,"M"),!1},selectYear:function(){return t.datepicker._selectMonthYear(s,this,"Y"),!1}};t(this).on(this.getAttribute("data-event"),e[this.getAttribute("data-handler")])})},_generateHTML:function(t){var e,i,s,n,o,a,r,h,l,c,u,d,p,f,g,m,_,v,b,y,w,k,x,C,D,I,T,P,M,S,H,z,O,A,N,W,E,F,L,R=new Date,B=this._daylightSavingAdjust(new Date(R.getFullYear(),R.getMonth(),R.getDate())),Y=this._get(t,"isRTL"),j=this._get(t,"showButtonPanel"),q=this._get(t,"hideIfNoPrevNext"),K=this._get(t,"navigationAsDateFormat"),U=this._getNumberOfMonths(t),V=this._get(t,"showCurrentAtPos"),$=this._get(t,"stepMonths"),X=1!==U[0]||1!==U[1],G=this._daylightSavingAdjust(t.currentDay?new Date(t.currentYear,t.currentMonth,t.currentDay):new Date(9999,9,9)),Q=this._getMinMaxDate(t,"min"),J=this._getMinMaxDate(t,"max"),Z=t.drawMonth-V,te=t.drawYear;if(0>Z&&(Z+=12,te--),J)for(e=this._daylightSavingAdjust(new Date(J.getFullYear(),J.getMonth()-U[0]*U[1]+1,J.getDate())),e=Q&&Q>e?Q:e;this._daylightSavingAdjust(new Date(te,Z,1))>e;)Z--,0>Z&&(Z=11,te--);for(t.drawMonth=Z,t.drawYear=te,i=this._get(t,"prevText"),i=K?this.formatDate(i,this._daylightSavingAdjust(new Date(te,Z-$,1)),this._getFormatConfig(t)):i,s=this._canAdjustMonth(t,-1,te,Z)?""+i+"":q?"":""+i+"",n=this._get(t,"nextText"),n=K?this.formatDate(n,this._daylightSavingAdjust(new Date(te,Z+$,1)),this._getFormatConfig(t)):n,o=this._canAdjustMonth(t,1,te,Z)?""+n+"":q?"":""+n+"",a=this._get(t,"currentText"),r=this._get(t,"gotoCurrent")&&t.currentDay?G:B,a=K?this.formatDate(a,r,this._getFormatConfig(t)):a,h=t.inline?"":"",l=j?"
    "+(Y?h:"")+(this._isInRange(t,r)?"":"")+(Y?"":h)+"
    ":"",c=parseInt(this._get(t,"firstDay"),10),c=isNaN(c)?0:c,u=this._get(t,"showWeek"),d=this._get(t,"dayNames"),p=this._get(t,"dayNamesMin"),f=this._get(t,"monthNames"),g=this._get(t,"monthNamesShort"),m=this._get(t,"beforeShowDay"),_=this._get(t,"showOtherMonths"),v=this._get(t,"selectOtherMonths"),b=this._getDefaultDate(t),y="",k=0;U[0]>k;k++){for(x="",this.maxRows=4,C=0;U[1]>C;C++){if(D=this._daylightSavingAdjust(new Date(te,Z,t.selectedDay)),I=" ui-corner-all",T="",X){if(T+="
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    "+(/all|left/.test(I)&&0===k?Y?o:s:"")+(/all|right/.test(I)&&0===k?Y?s:o:"")+this._generateMonthYearHeader(t,Z,te,Q,J,k>0||C>0,f,g)+"
    "+"",P=u?"":"",w=0;7>w;w++)M=(w+c)%7,P+="";for(T+=P+"",S=this._getDaysInMonth(te,Z),te===t.selectedYear&&Z===t.selectedMonth&&(t.selectedDay=Math.min(t.selectedDay,S)),H=(this._getFirstDayOfMonth(te,Z)-c+7)%7,z=Math.ceil((H+S)/7),O=X?this.maxRows>z?this.maxRows:z:z,this.maxRows=O,A=this._daylightSavingAdjust(new Date(te,Z,1-H)),N=0;O>N;N++){for(T+="",W=u?"":"",w=0;7>w;w++)E=m?m.apply(t.input?t.input[0]:null,[A]):[!0,""],F=A.getMonth()!==Z,L=F&&!v||!E[0]||Q&&Q>A||J&&A>J,W+="",A.setDate(A.getDate()+1),A=this._daylightSavingAdjust(A);T+=W+""}Z++,Z>11&&(Z=0,te++),T+="
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    "+(X?"
    "+(U[0]>0&&C===U[1]-1?"
    ":""):""),x+=T}y+=x}return y+=l,t._keyEvent=!1,y},_generateMonthYearHeader:function(t,e,i,s,n,o,a,r){var h,l,c,u,d,p,f,g,m=this._get(t,"changeMonth"),_=this._get(t,"changeYear"),v=this._get(t,"showMonthAfterYear"),b="
    ",y="";if(o||!m)y+=""+a[e]+"";else{for(h=s&&s.getFullYear()===i,l=n&&n.getFullYear()===i,y+=""}if(v||(b+=y+(!o&&m&&_?"":" ")),!t.yearshtml)if(t.yearshtml="",o||!_)b+=""+i+"";else{for(u=this._get(t,"yearRange").split(":"),d=(new Date).getFullYear(),p=function(t){var e=t.match(/c[+\-].*/)?i+parseInt(t.substring(1),10):t.match(/[+\-].*/)?d+parseInt(t,10):parseInt(t,10);return isNaN(e)?d:e},f=p(u[0]),g=Math.max(f,p(u[1]||"")),f=s?Math.max(f,s.getFullYear()):f,g=n?Math.min(g,n.getFullYear()):g,t.yearshtml+="",b+=t.yearshtml,t.yearshtml=null}return b+=this._get(t,"yearSuffix"),v&&(b+=(!o&&m&&_?"":" ")+y),b+="
    "},_adjustInstDate:function(t,e,i){var s=t.selectedYear+("Y"===i?e:0),n=t.selectedMonth+("M"===i?e:0),o=Math.min(t.selectedDay,this._getDaysInMonth(s,n))+("D"===i?e:0),a=this._restrictMinMax(t,this._daylightSavingAdjust(new Date(s,n,o)));t.selectedDay=a.getDate(),t.drawMonth=t.selectedMonth=a.getMonth(),t.drawYear=t.selectedYear=a.getFullYear(),("M"===i||"Y"===i)&&this._notifyChange(t)},_restrictMinMax:function(t,e){var i=this._getMinMaxDate(t,"min"),s=this._getMinMaxDate(t,"max"),n=i&&i>e?i:e;return s&&n>s?s:n},_notifyChange:function(t){var e=this._get(t,"onChangeMonthYear");e&&e.apply(t.input?t.input[0]:null,[t.selectedYear,t.selectedMonth+1,t])},_getNumberOfMonths:function(t){var e=this._get(t,"numberOfMonths");return null==e?[1,1]:"number"==typeof e?[1,e]:e},_getMinMaxDate:function(t,e){return this._determineDate(t,this._get(t,e+"Date"),null)},_getDaysInMonth:function(t,e){return 32-this._daylightSavingAdjust(new Date(t,e,32)).getDate()},_getFirstDayOfMonth:function(t,e){return new Date(t,e,1).getDay()},_canAdjustMonth:function(t,e,i,s){var n=this._getNumberOfMonths(t),o=this._daylightSavingAdjust(new Date(i,s+(0>e?e:n[0]*n[1]),1));return 0>e&&o.setDate(this._getDaysInMonth(o.getFullYear(),o.getMonth())),this._isInRange(t,o)},_isInRange:function(t,e){var i,s,n=this._getMinMaxDate(t,"min"),o=this._getMinMaxDate(t,"max"),a=null,r=null,h=this._get(t,"yearRange");return h&&(i=h.split(":"),s=(new Date).getFullYear(),a=parseInt(i[0],10),r=parseInt(i[1],10),i[0].match(/[+\-].*/)&&(a+=s),i[1].match(/[+\-].*/)&&(r+=s)),(!n||e.getTime()>=n.getTime())&&(!o||e.getTime()<=o.getTime())&&(!a||e.getFullYear()>=a)&&(!r||r>=e.getFullYear())},_getFormatConfig:function(t){var e=this._get(t,"shortYearCutoff");return e="string"!=typeof e?e:(new Date).getFullYear()%100+parseInt(e,10),{shortYearCutoff:e,dayNamesShort:this._get(t,"dayNamesShort"),dayNames:this._get(t,"dayNames"),monthNamesShort:this._get(t,"monthNamesShort"),monthNames:this._get(t,"monthNames")}},_formatDate:function(t,e,i,s){e||(t.currentDay=t.selectedDay,t.currentMonth=t.selectedMonth,t.currentYear=t.selectedYear);var n=e?"object"==typeof e?e:this._daylightSavingAdjust(new Date(s,i,e)):this._daylightSavingAdjust(new Date(t.currentYear,t.currentMonth,t.currentDay));return this.formatDate(this._get(t,"dateFormat"),n,this._getFormatConfig(t))}}),t.fn.datepicker=function(e){if(!this.length)return this;t.datepicker.initialized||(t(document).on("mousedown",t.datepicker._checkExternalClick),t.datepicker.initialized=!0),0===t("#"+t.datepicker._mainDivId).length&&t("body").append(t.datepicker.dpDiv);var i=Array.prototype.slice.call(arguments,1);return"string"!=typeof e||"isDisabled"!==e&&"getDate"!==e&&"widget"!==e?"option"===e&&2===arguments.length&&"string"==typeof arguments[1]?t.datepicker["_"+e+"Datepicker"].apply(t.datepicker,[this[0]].concat(i)):this.each(function(){"string"==typeof e?t.datepicker["_"+e+"Datepicker"].apply(t.datepicker,[this].concat(i)):t.datepicker._attachDatepicker(this,e)}):t.datepicker["_"+e+"Datepicker"].apply(t.datepicker,[this[0]].concat(i))},t.datepicker=new s,t.datepicker.initialized=!1,t.datepicker.uuid=(new Date).getTime(),t.datepicker.version="1.12.1",t.datepicker,t.ui.ie=!!/msie [\w.]+/.exec(navigator.userAgent.toLowerCase());var _=!1;t(document).on("mouseup",function(){_=!1}),t.widget("ui.mouse",{version:"1.12.1",options:{cancel:"input, textarea, button, select, option",distance:1,delay:0},_mouseInit:function(){var e=this;this.element.on("mousedown."+this.widgetName,function(t){return e._mouseDown(t)}).on("click."+this.widgetName,function(i){return!0===t.data(i.target,e.widgetName+".preventClickEvent")?(t.removeData(i.target,e.widgetName+".preventClickEvent"),i.stopImmediatePropagation(),!1):void 0}),this.started=!1},_mouseDestroy:function(){this.element.off("."+this.widgetName),this._mouseMoveDelegate&&this.document.off("mousemove."+this.widgetName,this._mouseMoveDelegate).off("mouseup."+this.widgetName,this._mouseUpDelegate)},_mouseDown:function(e){if(!_){this._mouseMoved=!1,this._mouseStarted&&this._mouseUp(e),this._mouseDownEvent=e;var i=this,s=1===e.which,n="string"==typeof this.options.cancel&&e.target.nodeName?t(e.target).closest(this.options.cancel).length:!1;return s&&!n&&this._mouseCapture(e)?(this.mouseDelayMet=!this.options.delay,this.mouseDelayMet||(this._mouseDelayTimer=setTimeout(function(){i.mouseDelayMet=!0},this.options.delay)),this._mouseDistanceMet(e)&&this._mouseDelayMet(e)&&(this._mouseStarted=this._mouseStart(e)!==!1,!this._mouseStarted)?(e.preventDefault(),!0):(!0===t.data(e.target,this.widgetName+".preventClickEvent")&&t.removeData(e.target,this.widgetName+".preventClickEvent"),this._mouseMoveDelegate=function(t){return i._mouseMove(t)},this._mouseUpDelegate=function(t){return i._mouseUp(t)},this.document.on("mousemove."+this.widgetName,this._mouseMoveDelegate).on("mouseup."+this.widgetName,this._mouseUpDelegate),e.preventDefault(),_=!0,!0)):!0}},_mouseMove:function(e){if(this._mouseMoved){if(t.ui.ie&&(!document.documentMode||9>document.documentMode)&&!e.button)return this._mouseUp(e);if(!e.which)if(e.originalEvent.altKey||e.originalEvent.ctrlKey||e.originalEvent.metaKey||e.originalEvent.shiftKey)this.ignoreMissingWhich=!0;else if(!this.ignoreMissingWhich)return this._mouseUp(e)}return(e.which||e.button)&&(this._mouseMoved=!0),this._mouseStarted?(this._mouseDrag(e),e.preventDefault()):(this._mouseDistanceMet(e)&&this._mouseDelayMet(e)&&(this._mouseStarted=this._mouseStart(this._mouseDownEvent,e)!==!1,this._mouseStarted?this._mouseDrag(e):this._mouseUp(e)),!this._mouseStarted)},_mouseUp:function(e){this.document.off("mousemove."+this.widgetName,this._mouseMoveDelegate).off("mouseup."+this.widgetName,this._mouseUpDelegate),this._mouseStarted&&(this._mouseStarted=!1,e.target===this._mouseDownEvent.target&&t.data(e.target,this.widgetName+".preventClickEvent",!0),this._mouseStop(e)),this._mouseDelayTimer&&(clearTimeout(this._mouseDelayTimer),delete this._mouseDelayTimer),this.ignoreMissingWhich=!1,_=!1,e.preventDefault()},_mouseDistanceMet:function(t){return Math.max(Math.abs(this._mouseDownEvent.pageX-t.pageX),Math.abs(this._mouseDownEvent.pageY-t.pageY))>=this.options.distance},_mouseDelayMet:function(){return this.mouseDelayMet},_mouseStart:function(){},_mouseDrag:function(){},_mouseStop:function(){},_mouseCapture:function(){return!0}}),t.ui.plugin={add:function(e,i,s){var n,o=t.ui[e].prototype;for(n in s)o.plugins[n]=o.plugins[n]||[],o.plugins[n].push([i,s[n]])},call:function(t,e,i,s){var n,o=t.plugins[e];if(o&&(s||t.element[0].parentNode&&11!==t.element[0].parentNode.nodeType))for(n=0;o.length>n;n++)t.options[o[n][0]]&&o[n][1].apply(t.element,i)}},t.ui.safeBlur=function(e){e&&"body"!==e.nodeName.toLowerCase()&&t(e).trigger("blur")},t.widget("ui.draggable",t.ui.mouse,{version:"1.12.1",widgetEventPrefix:"drag",options:{addClasses:!0,appendTo:"parent",axis:!1,connectToSortable:!1,containment:!1,cursor:"auto",cursorAt:!1,grid:!1,handle:!1,helper:"original",iframeFix:!1,opacity:!1,refreshPositions:!1,revert:!1,revertDuration:500,scope:"default",scroll:!0,scrollSensitivity:20,scrollSpeed:20,snap:!1,snapMode:"both",snapTolerance:20,stack:!1,zIndex:!1,drag:null,start:null,stop:null},_create:function(){"original"===this.options.helper&&this._setPositionRelative(),this.options.addClasses&&this._addClass("ui-draggable"),this._setHandleClassName(),this._mouseInit()},_setOption:function(t,e){this._super(t,e),"handle"===t&&(this._removeHandleClassName(),this._setHandleClassName())},_destroy:function(){return(this.helper||this.element).is(".ui-draggable-dragging")?(this.destroyOnClear=!0,void 0):(this._removeHandleClassName(),this._mouseDestroy(),void 0)},_mouseCapture:function(e){var i=this.options;return this.helper||i.disabled||t(e.target).closest(".ui-resizable-handle").length>0?!1:(this.handle=this._getHandle(e),this.handle?(this._blurActiveElement(e),this._blockFrames(i.iframeFix===!0?"iframe":i.iframeFix),!0):!1)},_blockFrames:function(e){this.iframeBlocks=this.document.find(e).map(function(){var e=t(this);return t("
    ").css("position","absolute").appendTo(e.parent()).outerWidth(e.outerWidth()).outerHeight(e.outerHeight()).offset(e.offset())[0]})},_unblockFrames:function(){this.iframeBlocks&&(this.iframeBlocks.remove(),delete this.iframeBlocks)},_blurActiveElement:function(e){var i=t.ui.safeActiveElement(this.document[0]),s=t(e.target);s.closest(i).length||t.ui.safeBlur(i)},_mouseStart:function(e){var i=this.options;return this.helper=this._createHelper(e),this._addClass(this.helper,"ui-draggable-dragging"),this._cacheHelperProportions(),t.ui.ddmanager&&(t.ui.ddmanager.current=this),this._cacheMargins(),this.cssPosition=this.helper.css("position"),this.scrollParent=this.helper.scrollParent(!0),this.offsetParent=this.helper.offsetParent(),this.hasFixedAncestor=this.helper.parents().filter(function(){return"fixed"===t(this).css("position")}).length>0,this.positionAbs=this.element.offset(),this._refreshOffsets(e),this.originalPosition=this.position=this._generatePosition(e,!1),this.originalPageX=e.pageX,this.originalPageY=e.pageY,i.cursorAt&&this._adjustOffsetFromHelper(i.cursorAt),this._setContainment(),this._trigger("start",e)===!1?(this._clear(),!1):(this._cacheHelperProportions(),t.ui.ddmanager&&!i.dropBehaviour&&t.ui.ddmanager.prepareOffsets(this,e),this._mouseDrag(e,!0),t.ui.ddmanager&&t.ui.ddmanager.dragStart(this,e),!0)},_refreshOffsets:function(t){this.offset={top:this.positionAbs.top-this.margins.top,left:this.positionAbs.left-this.margins.left,scroll:!1,parent:this._getParentOffset(),relative:this._getRelativeOffset()},this.offset.click={left:t.pageX-this.offset.left,top:t.pageY-this.offset.top}},_mouseDrag:function(e,i){if(this.hasFixedAncestor&&(this.offset.parent=this._getParentOffset()),this.position=this._generatePosition(e,!0),this.positionAbs=this._convertPositionTo("absolute"),!i){var s=this._uiHash();if(this._trigger("drag",e,s)===!1)return this._mouseUp(new t.Event("mouseup",e)),!1;this.position=s.position}return this.helper[0].style.left=this.position.left+"px",this.helper[0].style.top=this.position.top+"px",t.ui.ddmanager&&t.ui.ddmanager.drag(this,e),!1},_mouseStop:function(e){var i=this,s=!1;return t.ui.ddmanager&&!this.options.dropBehaviour&&(s=t.ui.ddmanager.drop(this,e)),this.dropped&&(s=this.dropped,this.dropped=!1),"invalid"===this.options.revert&&!s||"valid"===this.options.revert&&s||this.options.revert===!0||t.isFunction(this.options.revert)&&this.options.revert.call(this.element,s)?t(this.helper).animate(this.originalPosition,parseInt(this.options.revertDuration,10),function(){i._trigger("stop",e)!==!1&&i._clear()}):this._trigger("stop",e)!==!1&&this._clear(),!1},_mouseUp:function(e){return this._unblockFrames(),t.ui.ddmanager&&t.ui.ddmanager.dragStop(this,e),this.handleElement.is(e.target)&&this.element.trigger("focus"),t.ui.mouse.prototype._mouseUp.call(this,e)},cancel:function(){return this.helper.is(".ui-draggable-dragging")?this._mouseUp(new t.Event("mouseup",{target:this.element[0]})):this._clear(),this},_getHandle:function(e){return this.options.handle?!!t(e.target).closest(this.element.find(this.options.handle)).length:!0},_setHandleClassName:function(){this.handleElement=this.options.handle?this.element.find(this.options.handle):this.element,this._addClass(this.handleElement,"ui-draggable-handle")},_removeHandleClassName:function(){this._removeClass(this.handleElement,"ui-draggable-handle")},_createHelper:function(e){var i=this.options,s=t.isFunction(i.helper),n=s?t(i.helper.apply(this.element[0],[e])):"clone"===i.helper?this.element.clone().removeAttr("id"):this.element;return n.parents("body").length||n.appendTo("parent"===i.appendTo?this.element[0].parentNode:i.appendTo),s&&n[0]===this.element[0]&&this._setPositionRelative(),n[0]===this.element[0]||/(fixed|absolute)/.test(n.css("position"))||n.css("position","absolute"),n},_setPositionRelative:function(){/^(?:r|a|f)/.test(this.element.css("position"))||(this.element[0].style.position="relative")},_adjustOffsetFromHelper:function(e){"string"==typeof e&&(e=e.split(" ")),t.isArray(e)&&(e={left:+e[0],top:+e[1]||0}),"left"in e&&(this.offset.click.left=e.left+this.margins.left),"right"in e&&(this.offset.click.left=this.helperProportions.width-e.right+this.margins.left),"top"in e&&(this.offset.click.top=e.top+this.margins.top),"bottom"in e&&(this.offset.click.top=this.helperProportions.height-e.bottom+this.margins.top)},_isRootNode:function(t){return/(html|body)/i.test(t.tagName)||t===this.document[0]},_getParentOffset:function(){var e=this.offsetParent.offset(),i=this.document[0];return"absolute"===this.cssPosition&&this.scrollParent[0]!==i&&t.contains(this.scrollParent[0],this.offsetParent[0])&&(e.left+=this.scrollParent.scrollLeft(),e.top+=this.scrollParent.scrollTop()),this._isRootNode(this.offsetParent[0])&&(e={top:0,left:0}),{top:e.top+(parseInt(this.offsetParent.css("borderTopWidth"),10)||0),left:e.left+(parseInt(this.offsetParent.css("borderLeftWidth"),10)||0)}},_getRelativeOffset:function(){if("relative"!==this.cssPosition)return{top:0,left:0};var t=this.element.position(),e=this._isRootNode(this.scrollParent[0]);return{top:t.top-(parseInt(this.helper.css("top"),10)||0)+(e?0:this.scrollParent.scrollTop()),left:t.left-(parseInt(this.helper.css("left"),10)||0)+(e?0:this.scrollParent.scrollLeft())} +},_cacheMargins:function(){this.margins={left:parseInt(this.element.css("marginLeft"),10)||0,top:parseInt(this.element.css("marginTop"),10)||0,right:parseInt(this.element.css("marginRight"),10)||0,bottom:parseInt(this.element.css("marginBottom"),10)||0}},_cacheHelperProportions:function(){this.helperProportions={width:this.helper.outerWidth(),height:this.helper.outerHeight()}},_setContainment:function(){var e,i,s,n=this.options,o=this.document[0];return this.relativeContainer=null,n.containment?"window"===n.containment?(this.containment=[t(window).scrollLeft()-this.offset.relative.left-this.offset.parent.left,t(window).scrollTop()-this.offset.relative.top-this.offset.parent.top,t(window).scrollLeft()+t(window).width()-this.helperProportions.width-this.margins.left,t(window).scrollTop()+(t(window).height()||o.body.parentNode.scrollHeight)-this.helperProportions.height-this.margins.top],void 0):"document"===n.containment?(this.containment=[0,0,t(o).width()-this.helperProportions.width-this.margins.left,(t(o).height()||o.body.parentNode.scrollHeight)-this.helperProportions.height-this.margins.top],void 0):n.containment.constructor===Array?(this.containment=n.containment,void 0):("parent"===n.containment&&(n.containment=this.helper[0].parentNode),i=t(n.containment),s=i[0],s&&(e=/(scroll|auto)/.test(i.css("overflow")),this.containment=[(parseInt(i.css("borderLeftWidth"),10)||0)+(parseInt(i.css("paddingLeft"),10)||0),(parseInt(i.css("borderTopWidth"),10)||0)+(parseInt(i.css("paddingTop"),10)||0),(e?Math.max(s.scrollWidth,s.offsetWidth):s.offsetWidth)-(parseInt(i.css("borderRightWidth"),10)||0)-(parseInt(i.css("paddingRight"),10)||0)-this.helperProportions.width-this.margins.left-this.margins.right,(e?Math.max(s.scrollHeight,s.offsetHeight):s.offsetHeight)-(parseInt(i.css("borderBottomWidth"),10)||0)-(parseInt(i.css("paddingBottom"),10)||0)-this.helperProportions.height-this.margins.top-this.margins.bottom],this.relativeContainer=i),void 0):(this.containment=null,void 0)},_convertPositionTo:function(t,e){e||(e=this.position);var i="absolute"===t?1:-1,s=this._isRootNode(this.scrollParent[0]);return{top:e.top+this.offset.relative.top*i+this.offset.parent.top*i-("fixed"===this.cssPosition?-this.offset.scroll.top:s?0:this.offset.scroll.top)*i,left:e.left+this.offset.relative.left*i+this.offset.parent.left*i-("fixed"===this.cssPosition?-this.offset.scroll.left:s?0:this.offset.scroll.left)*i}},_generatePosition:function(t,e){var i,s,n,o,a=this.options,r=this._isRootNode(this.scrollParent[0]),h=t.pageX,l=t.pageY;return r&&this.offset.scroll||(this.offset.scroll={top:this.scrollParent.scrollTop(),left:this.scrollParent.scrollLeft()}),e&&(this.containment&&(this.relativeContainer?(s=this.relativeContainer.offset(),i=[this.containment[0]+s.left,this.containment[1]+s.top,this.containment[2]+s.left,this.containment[3]+s.top]):i=this.containment,t.pageX-this.offset.click.lefti[2]&&(h=i[2]+this.offset.click.left),t.pageY-this.offset.click.top>i[3]&&(l=i[3]+this.offset.click.top)),a.grid&&(n=a.grid[1]?this.originalPageY+Math.round((l-this.originalPageY)/a.grid[1])*a.grid[1]:this.originalPageY,l=i?n-this.offset.click.top>=i[1]||n-this.offset.click.top>i[3]?n:n-this.offset.click.top>=i[1]?n-a.grid[1]:n+a.grid[1]:n,o=a.grid[0]?this.originalPageX+Math.round((h-this.originalPageX)/a.grid[0])*a.grid[0]:this.originalPageX,h=i?o-this.offset.click.left>=i[0]||o-this.offset.click.left>i[2]?o:o-this.offset.click.left>=i[0]?o-a.grid[0]:o+a.grid[0]:o),"y"===a.axis&&(h=this.originalPageX),"x"===a.axis&&(l=this.originalPageY)),{top:l-this.offset.click.top-this.offset.relative.top-this.offset.parent.top+("fixed"===this.cssPosition?-this.offset.scroll.top:r?0:this.offset.scroll.top),left:h-this.offset.click.left-this.offset.relative.left-this.offset.parent.left+("fixed"===this.cssPosition?-this.offset.scroll.left:r?0:this.offset.scroll.left)}},_clear:function(){this._removeClass(this.helper,"ui-draggable-dragging"),this.helper[0]===this.element[0]||this.cancelHelperRemoval||this.helper.remove(),this.helper=null,this.cancelHelperRemoval=!1,this.destroyOnClear&&this.destroy()},_trigger:function(e,i,s){return s=s||this._uiHash(),t.ui.plugin.call(this,e,[i,s,this],!0),/^(drag|start|stop)/.test(e)&&(this.positionAbs=this._convertPositionTo("absolute"),s.offset=this.positionAbs),t.Widget.prototype._trigger.call(this,e,i,s)},plugins:{},_uiHash:function(){return{helper:this.helper,position:this.position,originalPosition:this.originalPosition,offset:this.positionAbs}}}),t.ui.plugin.add("draggable","connectToSortable",{start:function(e,i,s){var n=t.extend({},i,{item:s.element});s.sortables=[],t(s.options.connectToSortable).each(function(){var i=t(this).sortable("instance");i&&!i.options.disabled&&(s.sortables.push(i),i.refreshPositions(),i._trigger("activate",e,n))})},stop:function(e,i,s){var n=t.extend({},i,{item:s.element});s.cancelHelperRemoval=!1,t.each(s.sortables,function(){var t=this;t.isOver?(t.isOver=0,s.cancelHelperRemoval=!0,t.cancelHelperRemoval=!1,t._storedCSS={position:t.placeholder.css("position"),top:t.placeholder.css("top"),left:t.placeholder.css("left")},t._mouseStop(e),t.options.helper=t.options._helper):(t.cancelHelperRemoval=!0,t._trigger("deactivate",e,n))})},drag:function(e,i,s){t.each(s.sortables,function(){var n=!1,o=this;o.positionAbs=s.positionAbs,o.helperProportions=s.helperProportions,o.offset.click=s.offset.click,o._intersectsWith(o.containerCache)&&(n=!0,t.each(s.sortables,function(){return this.positionAbs=s.positionAbs,this.helperProportions=s.helperProportions,this.offset.click=s.offset.click,this!==o&&this._intersectsWith(this.containerCache)&&t.contains(o.element[0],this.element[0])&&(n=!1),n})),n?(o.isOver||(o.isOver=1,s._parent=i.helper.parent(),o.currentItem=i.helper.appendTo(o.element).data("ui-sortable-item",!0),o.options._helper=o.options.helper,o.options.helper=function(){return i.helper[0]},e.target=o.currentItem[0],o._mouseCapture(e,!0),o._mouseStart(e,!0,!0),o.offset.click.top=s.offset.click.top,o.offset.click.left=s.offset.click.left,o.offset.parent.left-=s.offset.parent.left-o.offset.parent.left,o.offset.parent.top-=s.offset.parent.top-o.offset.parent.top,s._trigger("toSortable",e),s.dropped=o.element,t.each(s.sortables,function(){this.refreshPositions()}),s.currentItem=s.element,o.fromOutside=s),o.currentItem&&(o._mouseDrag(e),i.position=o.position)):o.isOver&&(o.isOver=0,o.cancelHelperRemoval=!0,o.options._revert=o.options.revert,o.options.revert=!1,o._trigger("out",e,o._uiHash(o)),o._mouseStop(e,!0),o.options.revert=o.options._revert,o.options.helper=o.options._helper,o.placeholder&&o.placeholder.remove(),i.helper.appendTo(s._parent),s._refreshOffsets(e),i.position=s._generatePosition(e,!0),s._trigger("fromSortable",e),s.dropped=!1,t.each(s.sortables,function(){this.refreshPositions()}))})}}),t.ui.plugin.add("draggable","cursor",{start:function(e,i,s){var 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e=this.options.appendTo;return e&&(e.jquery||e.nodeType)?t(e):this.document.find(e||"body").eq(0)},_destroy:function(){var t,e=this.originalPosition;this._untrackInstance(),this._destroyOverlay(),this.element.removeUniqueId().css(this.originalCss).detach(),this.uiDialog.remove(),this.originalTitle&&this.element.attr("title",this.originalTitle),t=e.parent.children().eq(e.index),t.length&&t[0]!==this.element[0]?t.before(this.element):e.parent.append(this.element)},widget:function(){return this.uiDialog +},disable:t.noop,enable:t.noop,close:function(e){var i=this;this._isOpen&&this._trigger("beforeClose",e)!==!1&&(this._isOpen=!1,this._focusedElement=null,this._destroyOverlay(),this._untrackInstance(),this.opener.filter(":focusable").trigger("focus").length||t.ui.safeBlur(t.ui.safeActiveElement(this.document[0])),this._hide(this.uiDialog,this.options.hide,function(){i._trigger("close",e)}))},isOpen:function(){return 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t=this._focusedElement;t||(t=this.element.find("[autofocus]")),t.length||(t=this.element.find(":tabbable")),t.length||(t=this.uiDialogButtonPane.find(":tabbable")),t.length||(t=this.uiDialogTitlebarClose.filter(":tabbable")),t.length||(t=this.uiDialog),t.eq(0).trigger("focus")},_keepFocus:function(e){function i(){var e=t.ui.safeActiveElement(this.document[0]),i=this.uiDialog[0]===e||t.contains(this.uiDialog[0],e);i||this._focusTabbable()}e.preventDefault(),i.call(this),this._delay(i)},_createWrapper:function(){this.uiDialog=t("
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t=this.document.data("ui-dialog-overlays")-1;t?this.document.data("ui-dialog-overlays",t):(this._off(this.document,"focusin"),this.document.removeData("ui-dialog-overlays")),this.overlay.remove(),this.overlay=null}}}),t.uiBackCompat!==!1&&t.widget("ui.dialog",t.ui.dialog,{options:{dialogClass:""},_createWrapper:function(){this._super(),this.uiDialog.addClass(this.options.dialogClass)},_setOption:function(t,e){"dialogClass"===t&&this.uiDialog.removeClass(this.options.dialogClass).addClass(e),this._superApply(arguments)}}),t.ui.dialog,t.widget("ui.droppable",{version:"1.12.1",widgetEventPrefix:"drop",options:{accept:"*",addClasses:!0,greedy:!1,scope:"default",tolerance:"intersect",activate:null,deactivate:null,drop:null,out:null,over:null},_create:function(){var e,i=this.options,s=i.accept;this.isover=!1,this.isout=!0,this.accept=t.isFunction(s)?s:function(t){return t.is(s)},this.proportions=function(){return arguments.length?(e=arguments[0],void 0):e?e:e={width:this.element[0].offsetWidth,height:this.element[0].offsetHeight}},this._addToManager(i.scope),i.addClasses&&this._addClass("ui-droppable")},_addToManager:function(e){t.ui.ddmanager.droppables[e]=t.ui.ddmanager.droppables[e]||[],t.ui.ddmanager.droppables[e].push(this)},_splice:function(t){for(var e=0;t.length>e;e++)t[e]===this&&t.splice(e,1)},_destroy:function(){var e=t.ui.ddmanager.droppables[this.options.scope];this._splice(e)},_setOption:function(e,i){if("accept"===e)this.accept=t.isFunction(i)?i:function(t){return t.is(i)};else if("scope"===e){var s=t.ui.ddmanager.droppables[this.options.scope];this._splice(s),this._addToManager(i)}this._super(e,i)},_activate:function(e){var i=t.ui.ddmanager.current;this._addActiveClass(),i&&this._trigger("activate",e,this.ui(i))},_deactivate:function(e){var i=t.ui.ddmanager.current;this._removeActiveClass(),i&&this._trigger("deactivate",e,this.ui(i))},_over:function(e){var i=t.ui.ddmanager.current;i&&(i.currentItem||i.element)[0]!==this.element[0]&&this.accept.call(this.element[0],i.currentItem||i.element)&&(this._addHoverClass(),this._trigger("over",e,this.ui(i)))},_out:function(e){var i=t.ui.ddmanager.current;i&&(i.currentItem||i.element)[0]!==this.element[0]&&this.accept.call(this.element[0],i.currentItem||i.element)&&(this._removeHoverClass(),this._trigger("out",e,this.ui(i)))},_drop:function(e,i){var s=i||t.ui.ddmanager.current,n=!1;return s&&(s.currentItem||s.element)[0]!==this.element[0]?(this.element.find(":data(ui-droppable)").not(".ui-draggable-dragging").each(function(){var i=t(this).droppable("instance");return i.options.greedy&&!i.options.disabled&&i.options.scope===s.options.scope&&i.accept.call(i.element[0],s.currentItem||s.element)&&v(s,t.extend(i,{offset:i.element.offset()}),i.options.tolerance,e)?(n=!0,!1):void 0}),n?!1:this.accept.call(this.element[0],s.currentItem||s.element)?(this._removeActiveClass(),this._removeHoverClass(),this._trigger("drop",e,this.ui(s)),this.element):!1):!1},ui:function(t){return{draggable:t.currentItem||t.element,helper:t.helper,position:t.position,offset:t.positionAbs}},_addHoverClass:function(){this._addClass("ui-droppable-hover")},_removeHoverClass:function(){this._removeClass("ui-droppable-hover")},_addActiveClass:function(){this._addClass("ui-droppable-active")},_removeActiveClass:function(){this._removeClass("ui-droppable-active")}});var v=t.ui.intersect=function(){function t(t,e,i){return t>=e&&e+i>t}return function(e,i,s,n){if(!i.offset)return!1;var o=(e.positionAbs||e.position.absolute).left+e.margins.left,a=(e.positionAbs||e.position.absolute).top+e.margins.top,r=o+e.helperProportions.width,h=a+e.helperProportions.height,l=i.offset.left,c=i.offset.top,u=l+i.proportions().width,d=c+i.proportions().height;switch(s){case"fit":return o>=l&&u>=r&&a>=c&&d>=h;case"intersect":return o+e.helperProportions.width/2>l&&u>r-e.helperProportions.width/2&&a+e.helperProportions.height/2>c&&d>h-e.helperProportions.height/2;case"pointer":return t(n.pageY,c,i.proportions().height)&&t(n.pageX,l,i.proportions().width);case"touch":return(a>=c&&d>=a||h>=c&&d>=h||c>a&&h>d)&&(o>=l&&u>=o||r>=l&&u>=r||l>o&&r>u);default:return!1}}}();t.ui.ddmanager={current:null,droppables:{"default":[]},prepareOffsets:function(e,i){var s,n,o=t.ui.ddmanager.droppables[e.options.scope]||[],a=i?i.type:null,r=(e.currentItem||e.element).find(":data(ui-droppable)").addBack();t:for(s=0;o.length>s;s++)if(!(o[s].options.disabled||e&&!o[s].accept.call(o[s].element[0],e.currentItem||e.element))){for(n=0;r.length>n;n++)if(r[n]===o[s].element[0]){o[s].proportions().height=0;continue t}o[s].visible="none"!==o[s].element.css("display"),o[s].visible&&("mousedown"===a&&o[s]._activate.call(o[s],i),o[s].offset=o[s].element.offset(),o[s].proportions({width:o[s].element[0].offsetWidth,height:o[s].element[0].offsetHeight}))}},drop:function(e,i){var s=!1;return t.each((t.ui.ddmanager.droppables[e.options.scope]||[]).slice(),function(){this.options&&(!this.options.disabled&&this.visible&&v(e,this,this.options.tolerance,i)&&(s=this._drop.call(this,i)||s),!this.options.disabled&&this.visible&&this.accept.call(this.element[0],e.currentItem||e.element)&&(this.isout=!0,this.isover=!1,this._deactivate.call(this,i)))}),s},dragStart:function(e,i){e.element.parentsUntil("body").on("scroll.droppable",function(){e.options.refreshPositions||t.ui.ddmanager.prepareOffsets(e,i)})},drag:function(e,i){e.options.refreshPositions&&t.ui.ddmanager.prepareOffsets(e,i),t.each(t.ui.ddmanager.droppables[e.options.scope]||[],function(){if(!this.options.disabled&&!this.greedyChild&&this.visible){var s,n,o,a=v(e,this,this.options.tolerance,i),r=!a&&this.isover?"isout":a&&!this.isover?"isover":null;r&&(this.options.greedy&&(n=this.options.scope,o=this.element.parents(":data(ui-droppable)").filter(function(){return t(this).droppable("instance").options.scope===n}),o.length&&(s=t(o[0]).droppable("instance"),s.greedyChild="isover"===r)),s&&"isover"===r&&(s.isover=!1,s.isout=!0,s._out.call(s,i)),this[r]=!0,this["isout"===r?"isover":"isout"]=!1,this["isover"===r?"_over":"_out"].call(this,i),s&&"isout"===r&&(s.isout=!1,s.isover=!0,s._over.call(s,i)))}})},dragStop:function(e,i){e.element.parentsUntil("body").off("scroll.droppable"),e.options.refreshPositions||t.ui.ddmanager.prepareOffsets(e,i)}},t.uiBackCompat!==!1&&t.widget("ui.droppable",t.ui.droppable,{options:{hoverClass:!1,activeClass:!1},_addActiveClass:function(){this._super(),this.options.activeClass&&this.element.addClass(this.options.activeClass)},_removeActiveClass:function(){this._super(),this.options.activeClass&&this.element.removeClass(this.options.activeClass)},_addHoverClass:function(){this._super(),this.options.hoverClass&&this.element.addClass(this.options.hoverClass)},_removeHoverClass:function(){this._super(),this.options.hoverClass&&this.element.removeClass(this.options.hoverClass)}}),t.ui.droppable,t.widget("ui.progressbar",{version:"1.12.1",options:{classes:{"ui-progressbar":"ui-corner-all","ui-progressbar-value":"ui-corner-left","ui-progressbar-complete":"ui-corner-right"},max:100,value:0,change:null,complete:null},min:0,_create:function(){this.oldValue=this.options.value=this._constrainedValue(),this.element.attr({role:"progressbar","aria-valuemin":this.min}),this._addClass("ui-progressbar","ui-widget ui-widget-content"),this.valueDiv=t("
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    "),this._addClass(this.helper,"ui-selectable-helper")},_destroy:function(){this.selectees.removeData("selectable-item"),this._mouseDestroy()},_mouseStart:function(e){var i=this,s=this.options;this.opos=[e.pageX,e.pageY],this.elementPos=t(this.element[0]).offset(),this.options.disabled||(this.selectees=t(s.filter,this.element[0]),this._trigger("start",e),t(s.appendTo).append(this.helper),this.helper.css({left:e.pageX,top:e.pageY,width:0,height:0}),s.autoRefresh&&this.refresh(),this.selectees.filter(".ui-selected").each(function(){var s=t.data(this,"selectable-item");s.startselected=!0,e.metaKey||e.ctrlKey||(i._removeClass(s.$element,"ui-selected"),s.selected=!1,i._addClass(s.$element,"ui-unselecting"),s.unselecting=!0,i._trigger("unselecting",e,{unselecting:s.element}))}),t(e.target).parents().addBack().each(function(){var s,n=t.data(this,"selectable-item");return n?(s=!e.metaKey&&!e.ctrlKey||!n.$element.hasClass("ui-selected"),i._removeClass(n.$element,s?"ui-unselecting":"ui-selected")._addClass(n.$element,s?"ui-selecting":"ui-unselecting"),n.unselecting=!s,n.selecting=s,n.selected=s,s?i._trigger("selecting",e,{selecting:n.element}):i._trigger("unselecting",e,{unselecting:n.element}),!1):void 0}))},_mouseDrag:function(e){if(this.dragged=!0,!this.options.disabled){var i,s=this,n=this.options,o=this.opos[0],a=this.opos[1],r=e.pageX,h=e.pageY;return o>r&&(i=r,r=o,o=i),a>h&&(i=h,h=a,a=i),this.helper.css({left:o,top:a,width:r-o,height:h-a}),this.selectees.each(function(){var i=t.data(this,"selectable-item"),l=!1,c={};i&&i.element!==s.element[0]&&(c.left=i.left+s.elementPos.left,c.right=i.right+s.elementPos.left,c.top=i.top+s.elementPos.top,c.bottom=i.bottom+s.elementPos.top,"touch"===n.tolerance?l=!(c.left>r||o>c.right||c.top>h||a>c.bottom):"fit"===n.tolerance&&(l=c.left>o&&r>c.right&&c.top>a&&h>c.bottom),l?(i.selected&&(s._removeClass(i.$element,"ui-selected"),i.selected=!1),i.unselecting&&(s._removeClass(i.$element,"ui-unselecting"),i.unselecting=!1),i.selecting||(s._addClass(i.$element,"ui-selecting"),i.selecting=!0,s._trigger("selecting",e,{selecting:i.element}))):(i.selecting&&((e.metaKey||e.ctrlKey)&&i.startselected?(s._removeClass(i.$element,"ui-selecting"),i.selecting=!1,s._addClass(i.$element,"ui-selected"),i.selected=!0):(s._removeClass(i.$element,"ui-selecting"),i.selecting=!1,i.startselected&&(s._addClass(i.$element,"ui-unselecting"),i.unselecting=!0),s._trigger("unselecting",e,{unselecting:i.element}))),i.selected&&(e.metaKey||e.ctrlKey||i.startselected||(s._removeClass(i.$element,"ui-selected"),i.selected=!1,s._addClass(i.$element,"ui-unselecting"),i.unselecting=!0,s._trigger("unselecting",e,{unselecting:i.element})))))}),!1}},_mouseStop:function(e){var i=this;return this.dragged=!1,t(".ui-unselecting",this.element[0]).each(function(){var s=t.data(this,"selectable-item");i._removeClass(s.$element,"ui-unselecting"),s.unselecting=!1,s.startselected=!1,i._trigger("unselected",e,{unselected:s.element})}),t(".ui-selecting",this.element[0]).each(function(){var s=t.data(this,"selectable-item");i._removeClass(s.$element,"ui-selecting")._addClass(s.$element,"ui-selected"),s.selecting=!1,s.selected=!0,s.startselected=!0,i._trigger("selected",e,{selected:s.element})}),this._trigger("stop",e),this.helper.remove(),!1}}),t.widget("ui.selectmenu",[t.ui.formResetMixin,{version:"1.12.1",defaultElement:"",widgetEventPrefix:"spin",options:{classes:{"ui-spinner":"ui-corner-all","ui-spinner-down":"ui-corner-br","ui-spinner-up":"ui-corner-tr"},culture:null,icons:{down:"ui-icon-triangle-1-s",up:"ui-icon-triangle-1-n"},incremental:!0,max:null,min:null,numberFormat:null,page:10,step:1,change:null,spin:null,start:null,stop:null},_create:function(){this._setOption("max",this.options.max),this._setOption("min",this.options.min),this._setOption("step",this.options.step),""!==this.value()&&this._value(this.element.val(),!0),this._draw(),this._on(this._events),this._refresh(),this._on(this.window,{beforeunload:function(){this.element.removeAttr("autocomplete")}})},_getCreateOptions:function(){var e=this._super(),i=this.element;return t.each(["min","max","step"],function(t,s){var n=i.attr(s);null!=n&&n.length&&(e[s]=n)}),e},_events:{keydown:function(t){this._start(t)&&this._keydown(t)&&t.preventDefault()},keyup:"_stop",focus:function(){this.previous=this.element.val()},blur:function(t){return this.cancelBlur?(delete this.cancelBlur,void 0):(this._stop(),this._refresh(),this.previous!==this.element.val()&&this._trigger("change",t),void 0)},mousewheel:function(t,e){if(e){if(!this.spinning&&!this._start(t))return!1;this._spin((e>0?1:-1)*this.options.step,t),clearTimeout(this.mousewheelTimer),this.mousewheelTimer=this._delay(function(){this.spinning&&this._stop(t)},100),t.preventDefault()}},"mousedown .ui-spinner-button":function(e){function i(){var e=this.element[0]===t.ui.safeActiveElement(this.document[0]);e||(this.element.trigger("focus"),this.previous=s,this._delay(function(){this.previous=s}))}var s;s=this.element[0]===t.ui.safeActiveElement(this.document[0])?this.previous:this.element.val(),e.preventDefault(),i.call(this),this.cancelBlur=!0,this._delay(function(){delete this.cancelBlur,i.call(this)}),this._start(e)!==!1&&this._repeat(null,t(e.currentTarget).hasClass("ui-spinner-up")?1:-1,e)},"mouseup .ui-spinner-button":"_stop","mouseenter .ui-spinner-button":function(e){return t(e.currentTarget).hasClass("ui-state-active")?this._start(e)===!1?!1:(this._repeat(null,t(e.currentTarget).hasClass("ui-spinner-up")?1:-1,e),void 0):void 0},"mouseleave .ui-spinner-button":"_stop"},_enhance:function(){this.uiSpinner=this.element.attr("autocomplete","off").wrap("").parent().append("")},_draw:function(){this._enhance(),this._addClass(this.uiSpinner,"ui-spinner","ui-widget ui-widget-content"),this._addClass("ui-spinner-input"),this.element.attr("role","spinbutton"),this.buttons=this.uiSpinner.children("a").attr("tabIndex",-1).attr("aria-hidden",!0).button({classes:{"ui-button":""}}),this._removeClass(this.buttons,"ui-corner-all"),this._addClass(this.buttons.first(),"ui-spinner-button ui-spinner-up"),this._addClass(this.buttons.last(),"ui-spinner-button ui-spinner-down"),this.buttons.first().button({icon:this.options.icons.up,showLabel:!1}),this.buttons.last().button({icon:this.options.icons.down,showLabel:!1}),this.buttons.height()>Math.ceil(.5*this.uiSpinner.height())&&this.uiSpinner.height()>0&&this.uiSpinner.height(this.uiSpinner.height())},_keydown:function(e){var i=this.options,s=t.ui.keyCode;switch(e.keyCode){case s.UP:return this._repeat(null,1,e),!0;case s.DOWN:return this._repeat(null,-1,e),!0;case s.PAGE_UP:return this._repeat(null,i.page,e),!0;case s.PAGE_DOWN:return this._repeat(null,-i.page,e),!0}return!1},_start:function(t){return this.spinning||this._trigger("start",t)!==!1?(this.counter||(this.counter=1),this.spinning=!0,!0):!1},_repeat:function(t,e,i){t=t||500,clearTimeout(this.timer),this.timer=this._delay(function(){this._repeat(40,e,i)},t),this._spin(e*this.options.step,i)},_spin:function(t,e){var i=this.value()||0;this.counter||(this.counter=1),i=this._adjustValue(i+t*this._increment(this.counter)),this.spinning&&this._trigger("spin",e,{value:i})===!1||(this._value(i),this.counter++)},_increment:function(e){var i=this.options.incremental;return i?t.isFunction(i)?i(e):Math.floor(e*e*e/5e4-e*e/500+17*e/200+1):1},_precision:function(){var t=this._precisionOf(this.options.step);return null!==this.options.min&&(t=Math.max(t,this._precisionOf(this.options.min))),t},_precisionOf:function(t){var e=""+t,i=e.indexOf(".");return-1===i?0:e.length-i-1},_adjustValue:function(t){var e,i,s=this.options;return e=null!==s.min?s.min:0,i=t-e,i=Math.round(i/s.step)*s.step,t=e+i,t=parseFloat(t.toFixed(this._precision())),null!==s.max&&t>s.max?s.max:null!==s.min&&s.min>t?s.min:t},_stop:function(t){this.spinning&&(clearTimeout(this.timer),clearTimeout(this.mousewheelTimer),this.counter=0,this.spinning=!1,this._trigger("stop",t))},_setOption:function(t,e){var i,s,n;return"culture"===t||"numberFormat"===t?(i=this._parse(this.element.val()),this.options[t]=e,this.element.val(this._format(i)),void 0):(("max"===t||"min"===t||"step"===t)&&"string"==typeof e&&(e=this._parse(e)),"icons"===t&&(s=this.buttons.first().find(".ui-icon"),this._removeClass(s,null,this.options.icons.up),this._addClass(s,null,e.up),n=this.buttons.last().find(".ui-icon"),this._removeClass(n,null,this.options.icons.down),this._addClass(n,null,e.down)),this._super(t,e),void 0)},_setOptionDisabled:function(t){this._super(t),this._toggleClass(this.uiSpinner,null,"ui-state-disabled",!!t),this.element.prop("disabled",!!t),this.buttons.button(t?"disable":"enable")},_setOptions:r(function(t){this._super(t)}),_parse:function(t){return"string"==typeof t&&""!==t&&(t=window.Globalize&&this.options.numberFormat?Globalize.parseFloat(t,10,this.options.culture):+t),""===t||isNaN(t)?null:t},_format:function(t){return""===t?"":window.Globalize&&this.options.numberFormat?Globalize.format(t,this.options.numberFormat,this.options.culture):t},_refresh:function(){this.element.attr({"aria-valuemin":this.options.min,"aria-valuemax":this.options.max,"aria-valuenow":this._parse(this.element.val())})},isValid:function(){var t=this.value();return null===t?!1:t===this._adjustValue(t)},_value:function(t,e){var i;""!==t&&(i=this._parse(t),null!==i&&(e||(i=this._adjustValue(i)),t=this._format(i))),this.element.val(t),this._refresh()},_destroy:function(){this.element.prop("disabled",!1).removeAttr("autocomplete role aria-valuemin aria-valuemax aria-valuenow"),this.uiSpinner.replaceWith(this.element)},stepUp:r(function(t){this._stepUp(t)}),_stepUp:function(t){this._start()&&(this._spin((t||1)*this.options.step),this._stop())},stepDown:r(function(t){this._stepDown(t)}),_stepDown:function(t){this._start()&&(this._spin((t||1)*-this.options.step),this._stop())},pageUp:r(function(t){this._stepUp((t||1)*this.options.page)}),pageDown:r(function(t){this._stepDown((t||1)*this.options.page)}),value:function(t){return arguments.length?(r(this._value).call(this,t),void 0):this._parse(this.element.val())},widget:function(){return this.uiSpinner}}),t.uiBackCompat!==!1&&t.widget("ui.spinner",t.ui.spinner,{_enhance:function(){this.uiSpinner=this.element.attr("autocomplete","off").wrap(this._uiSpinnerHtml()).parent().append(this._buttonHtml())},_uiSpinnerHtml:function(){return""},_buttonHtml:function(){return""}}),t.ui.spinner,t.widget("ui.tabs",{version:"1.12.1",delay:300,options:{active:null,classes:{"ui-tabs":"ui-corner-all","ui-tabs-nav":"ui-corner-all","ui-tabs-panel":"ui-corner-bottom","ui-tabs-tab":"ui-corner-top"},collapsible:!1,event:"click",heightStyle:"content",hide:null,show:null,activate:null,beforeActivate:null,beforeLoad:null,load:null},_isLocal:function(){var t=/#.*$/;return function(e){var i,s;i=e.href.replace(t,""),s=location.href.replace(t,"");try{i=decodeURIComponent(i)}catch(n){}try{s=decodeURIComponent(s)}catch(n){}return e.hash.length>1&&i===s}}(),_create:function(){var e=this,i=this.options;this.running=!1,this._addClass("ui-tabs","ui-widget 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bc!=="object"){bc={top:bc,right:bc,bottom:bc,left:bc}}if(bw.top>0){ctx.strokeStyle=bc.top;ctx.lineWidth=bw.top;ctx.beginPath();ctx.moveTo(0-bw.left,0-bw.top/2);ctx.lineTo(plotWidth,0-bw.top/2);ctx.stroke()}if(bw.right>0){ctx.strokeStyle=bc.right;ctx.lineWidth=bw.right;ctx.beginPath();ctx.moveTo(plotWidth+bw.right/2,0-bw.top);ctx.lineTo(plotWidth+bw.right/2,plotHeight);ctx.stroke()}if(bw.bottom>0){ctx.strokeStyle=bc.bottom;ctx.lineWidth=bw.bottom;ctx.beginPath();ctx.moveTo(plotWidth+bw.right,plotHeight+bw.bottom/2);ctx.lineTo(0,plotHeight+bw.bottom/2);ctx.stroke()}if(bw.left>0){ctx.strokeStyle=bc.left;ctx.lineWidth=bw.left;ctx.beginPath();ctx.moveTo(0-bw.left/2,plotHeight+bw.bottom);ctx.lineTo(0-bw.left/2,0);ctx.stroke()}}else{ctx.lineWidth=bw;ctx.strokeStyle=options.grid.borderColor;ctx.strokeRect(-bw/2,-bw/2,plotWidth+bw,plotHeight+bw)}}ctx.restore()}function drawAxisLabels(){$.each(allAxes(),function(_,axis){var box=axis.box,legacyStyles=axis.direction+"Axis "+axis.direction+axis.n+"Axis",layer="flot-"+axis.direction+"-axis flot-"+axis.direction+axis.n+"-axis "+legacyStyles,font=axis.options.font||"flot-tick-label tickLabel",tick,x,y,halign,valign;surface.removeText(layer);if(!axis.show||axis.ticks.length==0)return;for(var i=0;iaxis.max)continue;if(axis.direction=="x"){halign="center";x=plotOffset.left+axis.p2c(tick.v);if(axis.position=="bottom"){y=box.top+box.padding}else{y=box.top+box.height-box.padding;valign="bottom"}}else{valign="middle";y=plotOffset.top+axis.p2c(tick.v);if(axis.position=="left"){x=box.left+box.width-box.padding;halign="right"}else{x=box.left+box.padding}}surface.addText(layer,x,y,tick.label,font,null,null,halign,valign)}})}function drawSeries(series){if(series.lines.show)drawSeriesLines(series);if(series.bars.show)drawSeriesBars(series);if(series.points.show)drawSeriesPoints(series)}function drawSeriesLines(series){function plotLine(datapoints,xoffset,yoffset,axisx,axisy){var points=datapoints.points,ps=datapoints.pointsize,prevx=null,prevy=null;ctx.beginPath();for(var i=ps;i=y2&&y1>axisy.max){if(y2>axisy.max)continue;x1=(axisy.max-y1)/(y2-y1)*(x2-x1)+x1;y1=axisy.max}else if(y2>=y1&&y2>axisy.max){if(y1>axisy.max)continue;x2=(axisy.max-y1)/(y2-y1)*(x2-x1)+x1;y2=axisy.max}if(x1<=x2&&x1=x2&&x1>axisx.max){if(x2>axisx.max)continue;y1=(axisx.max-x1)/(x2-x1)*(y2-y1)+y1;x1=axisx.max}else if(x2>=x1&&x2>axisx.max){if(x1>axisx.max)continue;y2=(axisx.max-x1)/(x2-x1)*(y2-y1)+y1;x2=axisx.max}if(x1!=prevx||y1!=prevy)ctx.moveTo(axisx.p2c(x1)+xoffset,axisy.p2c(y1)+yoffset);prevx=x2;prevy=y2;ctx.lineTo(axisx.p2c(x2)+xoffset,axisy.p2c(y2)+yoffset)}ctx.stroke()}function plotLineArea(datapoints,axisx,axisy){var points=datapoints.points,ps=datapoints.pointsize,bottom=Math.min(Math.max(0,axisy.min),axisy.max),i=0,top,areaOpen=false,ypos=1,segmentStart=0,segmentEnd=0;while(true){if(ps>0&&i>points.length+ps)break;i+=ps;var x1=points[i-ps],y1=points[i-ps+ypos],x2=points[i],y2=points[i+ypos];if(areaOpen){if(ps>0&&x1!=null&&x2==null){segmentEnd=i;ps=-ps;ypos=2;continue}if(ps<0&&i==segmentStart+ps){ctx.fill();areaOpen=false;ps=-ps;ypos=1;i=segmentStart=segmentEnd+ps;continue}}if(x1==null||x2==null)continue;if(x1<=x2&&x1=x2&&x1>axisx.max){if(x2>axisx.max)continue;y1=(axisx.max-x1)/(x2-x1)*(y2-y1)+y1;x1=axisx.max}else if(x2>=x1&&x2>axisx.max){if(x1>axisx.max)continue;y2=(axisx.max-x1)/(x2-x1)*(y2-y1)+y1;x2=axisx.max}if(!areaOpen){ctx.beginPath();ctx.moveTo(axisx.p2c(x1),axisy.p2c(bottom));areaOpen=true}if(y1>=axisy.max&&y2>=axisy.max){ctx.lineTo(axisx.p2c(x1),axisy.p2c(axisy.max));ctx.lineTo(axisx.p2c(x2),axisy.p2c(axisy.max));continue}else if(y1<=axisy.min&&y2<=axisy.min){ctx.lineTo(axisx.p2c(x1),axisy.p2c(axisy.min));ctx.lineTo(axisx.p2c(x2),axisy.p2c(axisy.min));continue}var x1old=x1,x2old=x2;if(y1<=y2&&y1=axisy.min){x1=(axisy.min-y1)/(y2-y1)*(x2-x1)+x1;y1=axisy.min}else if(y2<=y1&&y2=axisy.min){x2=(axisy.min-y1)/(y2-y1)*(x2-x1)+x1;y2=axisy.min}if(y1>=y2&&y1>axisy.max&&y2<=axisy.max){x1=(axisy.max-y1)/(y2-y1)*(x2-x1)+x1;y1=axisy.max}else if(y2>=y1&&y2>axisy.max&&y1<=axisy.max){x2=(axisy.max-y1)/(y2-y1)*(x2-x1)+x1;y2=axisy.max}if(x1!=x1old){ctx.lineTo(axisx.p2c(x1old),axisy.p2c(y1))}ctx.lineTo(axisx.p2c(x1),axisy.p2c(y1));ctx.lineTo(axisx.p2c(x2),axisy.p2c(y2));if(x2!=x2old){ctx.lineTo(axisx.p2c(x2),axisy.p2c(y2));ctx.lineTo(axisx.p2c(x2old),axisy.p2c(y2))}}}ctx.save();ctx.translate(plotOffset.left,plotOffset.top);ctx.lineJoin="round";var lw=series.lines.lineWidth,sw=series.shadowSize;if(lw>0&&sw>0){ctx.lineWidth=sw;ctx.strokeStyle="rgba(0,0,0,0.1)";var angle=Math.PI/18;plotLine(series.datapoints,Math.sin(angle)*(lw/2+sw/2),Math.cos(angle)*(lw/2+sw/2),series.xaxis,series.yaxis);ctx.lineWidth=sw/2;plotLine(series.datapoints,Math.sin(angle)*(lw/2+sw/4),Math.cos(angle)*(lw/2+sw/4),series.xaxis,series.yaxis)}ctx.lineWidth=lw;ctx.strokeStyle=series.color;var fillStyle=getFillStyle(series.lines,series.color,0,plotHeight);if(fillStyle){ctx.fillStyle=fillStyle;plotLineArea(series.datapoints,series.xaxis,series.yaxis)}if(lw>0)plotLine(series.datapoints,0,0,series.xaxis,series.yaxis);ctx.restore()}function drawSeriesPoints(series){function plotPoints(datapoints,radius,fillStyle,offset,shadow,axisx,axisy,symbol){var points=datapoints.points,ps=datapoints.pointsize;for(var i=0;iaxisx.max||yaxisy.max)continue;ctx.beginPath();x=axisx.p2c(x);y=axisy.p2c(y)+offset;if(symbol=="circle")ctx.arc(x,y,radius,0,shadow?Math.PI:Math.PI*2,false);else symbol(ctx,x,y,radius,shadow);ctx.closePath();if(fillStyle){ctx.fillStyle=fillStyle;ctx.fill()}ctx.stroke()}}ctx.save();ctx.translate(plotOffset.left,plotOffset.top);var lw=series.points.lineWidth,sw=series.shadowSize,radius=series.points.radius,symbol=series.points.symbol;if(lw==0)lw=1e-4;if(lw>0&&sw>0){var w=sw/2;ctx.lineWidth=w;ctx.strokeStyle="rgba(0,0,0,0.1)";plotPoints(series.datapoints,radius,null,w+w/2,true,series.xaxis,series.yaxis,symbol);ctx.strokeStyle="rgba(0,0,0,0.2)";plotPoints(series.datapoints,radius,null,w/2,true,series.xaxis,series.yaxis,symbol)}ctx.lineWidth=lw;ctx.strokeStyle=series.color;plotPoints(series.datapoints,radius,getFillStyle(series.points,series.color),0,false,series.xaxis,series.yaxis,symbol);ctx.restore()}function drawBar(x,y,b,barLeft,barRight,fillStyleCallback,axisx,axisy,c,horizontal,lineWidth){var left,right,bottom,top,drawLeft,drawRight,drawTop,drawBottom,tmp;if(horizontal){drawBottom=drawRight=drawTop=true;drawLeft=false;left=b;right=x;top=y+barLeft;bottom=y+barRight;if(rightaxisx.max||topaxisy.max)return;if(leftaxisx.max){right=axisx.max;drawRight=false}if(bottomaxisy.max){top=axisy.max;drawTop=false}left=axisx.p2c(left);bottom=axisy.p2c(bottom);right=axisx.p2c(right);top=axisy.p2c(top);if(fillStyleCallback){c.fillStyle=fillStyleCallback(bottom,top);c.fillRect(left,top,right-left,bottom-top)}if(lineWidth>0&&(drawLeft||drawRight||drawTop||drawBottom)){c.beginPath();c.moveTo(left,bottom);if(drawLeft)c.lineTo(left,top);else c.moveTo(left,top);if(drawTop)c.lineTo(right,top);else c.moveTo(right,top);if(drawRight)c.lineTo(right,bottom);else c.moveTo(right,bottom);if(drawBottom)c.lineTo(left,bottom);else c.moveTo(left,bottom);c.stroke()}}function drawSeriesBars(series){function plotBars(datapoints,barLeft,barRight,fillStyleCallback,axisx,axisy){var points=datapoints.points,ps=datapoints.pointsize;for(var i=0;i");fragments.push("");rowStarted=true}fragments.push('
    '+''+entry.label+"")}if(rowStarted)fragments.push("");if(fragments.length==0)return;var table=''+fragments.join("")+"
    ";if(options.legend.container!=null)$(options.legend.container).html(table);else{var pos="",p=options.legend.position,m=options.legend.margin;if(m[0]==null)m=[m,m];if(p.charAt(0)=="n")pos+="top:"+(m[1]+plotOffset.top)+"px;";else if(p.charAt(0)=="s")pos+="bottom:"+(m[1]+plotOffset.bottom)+"px;";if(p.charAt(1)=="e")pos+="right:"+(m[0]+plotOffset.right)+"px;";else if(p.charAt(1)=="w")pos+="left:"+(m[0]+plotOffset.left)+"px;";var legend=$('
    '+table.replace('style="','style="position:absolute;'+pos+";")+"
    ").appendTo(placeholder);if(options.legend.backgroundOpacity!=0){var c=options.legend.backgroundColor;if(c==null){c=options.grid.backgroundColor;if(c&&typeof c=="string")c=$.color.parse(c);else c=$.color.extract(legend,"background-color");c.a=1;c=c.toString()}var div=legend.children();$('
    ').prependTo(legend).css("opacity",options.legend.backgroundOpacity)}}}var highlights=[],redrawTimeout=null;function findNearbyItem(mouseX,mouseY,seriesFilter){var maxDistance=options.grid.mouseActiveRadius,smallestDistance=maxDistance*maxDistance+1,item=null,foundPoint=false,i,j,ps;for(i=series.length-1;i>=0;--i){if(!seriesFilter(series[i]))continue;var s=series[i],axisx=s.xaxis,axisy=s.yaxis,points=s.datapoints.points,mx=axisx.c2p(mouseX),my=axisy.c2p(mouseY),maxx=maxDistance/axisx.scale,maxy=maxDistance/axisy.scale;ps=s.datapoints.pointsize;if(axisx.options.inverseTransform)maxx=Number.MAX_VALUE;if(axisy.options.inverseTransform)maxy=Number.MAX_VALUE;if(s.lines.show||s.points.show){for(j=0;jmaxx||x-mx<-maxx||y-my>maxy||y-my<-maxy)continue;var dx=Math.abs(axisx.p2c(x)-mouseX),dy=Math.abs(axisy.p2c(y)-mouseY),dist=dx*dx+dy*dy;if(dist=Math.min(b,x)&&my>=y+barLeft&&my<=y+barRight:mx>=x+barLeft&&mx<=x+barRight&&my>=Math.min(b,y)&&my<=Math.max(b,y))item=[i,j/ps]}}}if(item){i=item[0];j=item[1];ps=series[i].datapoints.pointsize;return{datapoint:series[i].datapoints.points.slice(j*ps,(j+1)*ps),dataIndex:j,series:series[i],seriesIndex:i}}return null}function onMouseMove(e){if(options.grid.hoverable)triggerClickHoverEvent("plothover",e,function(s){return s["hoverable"]!=false})}function onMouseLeave(e){if(options.grid.hoverable)triggerClickHoverEvent("plothover",e,function(s){return false})}function onClick(e){triggerClickHoverEvent("plotclick",e,function(s){return s["clickable"]!=false})}function triggerClickHoverEvent(eventname,event,seriesFilter){var offset=eventHolder.offset(),canvasX=event.pageX-offset.left-plotOffset.left,canvasY=event.pageY-offset.top-plotOffset.top,pos=canvasToAxisCoords({left:canvasX,top:canvasY});pos.pageX=event.pageX;pos.pageY=event.pageY;var item=findNearbyItem(canvasX,canvasY,seriesFilter);if(item){item.pageX=parseInt(item.series.xaxis.p2c(item.datapoint[0])+offset.left+plotOffset.left,10);item.pageY=parseInt(item.series.yaxis.p2c(item.datapoint[1])+offset.top+plotOffset.top,10)}if(options.grid.autoHighlight){for(var i=0;iaxisx.max||yaxisy.max)return;var pointRadius=series.points.radius+series.points.lineWidth/2;octx.lineWidth=pointRadius;octx.strokeStyle=highlightColor;var radius=1.5*pointRadius;x=axisx.p2c(x);y=axisy.p2c(y);octx.beginPath();if(series.points.symbol=="circle")octx.arc(x,y,radius,0,2*Math.PI,false);else series.points.symbol(octx,x,y,radius,false);octx.closePath();octx.stroke()}function drawBarHighlight(series,point){var highlightColor=typeof series.highlightColor==="string"?series.highlightColor:$.color.parse(series.color).scale("a",.5).toString(),fillStyle=highlightColor,barLeft;switch(series.bars.align){case"left":barLeft=0;break;case"right":barLeft=-series.bars.barWidth;break;default:barLeft=-series.bars.barWidth/2}octx.lineWidth=series.bars.lineWidth;octx.strokeStyle=highlightColor;drawBar(point[0],point[1],point[2]||0,barLeft,barLeft+series.bars.barWidth,function(){return fillStyle},series.xaxis,series.yaxis,octx,series.bars.horizontal,series.bars.lineWidth)}function getColorOrGradient(spec,bottom,top,defaultColor){if(typeof spec=="string")return spec;else{var gradient=ctx.createLinearGradient(0,top,0,bottom);for(var i=0,l=spec.colors.length;i0?o=t("#flotTip"):((o=t("
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    '+this.opts.axisLabel+"
    ");this.plot.getPlaceholder().append(e),"top"==this.position?(e.css("left",i.left+i.width/2-this.labelWidth/2+"px"),e.css("top",i.top+"px")):"bottom"==this.position?(e.css("left",i.left+i.width/2-this.labelWidth/2+"px"),e.css("top",i.top+i.height-this.labelHeight+"px")):"left"==this.position?(e.css("top",i.top+i.height/2-this.labelHeight/2+"px"),e.css("left",i.left+"px")):"right"==this.position&&(e.css("top",i.top+i.height/2-this.labelHeight/2+"px"),e.css("left",i.left+i.width-this.labelWidth+"px"))},h.prototype=new a,h.prototype.constructor=h,h.prototype.calculateSize=function(){a.prototype.calculateSize.call(this),this.width=this.height=0,"left"==this.position||"right"==this.position?this.width=this.labelHeight+this.padding:this.height=this.labelHeight+this.padding},h.prototype.transforms=function(t,i,e){var s={"-moz-transform":"","-webkit-transform":"","-o-transform":"","-ms-transform":""};if(0!=i||0!=e){var o=" translate("+i+"px, "+e+"px)";s["-moz-transform"]+=o,s["-webkit-transform"]+=o,s["-o-transform"]+=o,s["-ms-transform"]+=o}if(0!=t){var a=" rotate("+t+"deg)";s["-moz-transform"]+=a,s["-webkit-transform"]+=a,s["-o-transform"]+=a,s["-ms-transform"]+=a}var h="top: 0; left: 0; ";for(var l in s)s[l]&&(h+=l+":"+s[l]+";");return h+=";"},h.prototype.calculateOffsets=function(t){var i={x:0,y:0,degrees:0};return"bottom"==this.position?(i.x=t.left+t.width/2-this.labelWidth/2,i.y=t.top+t.height-this.labelHeight):"top"==this.position?(i.x=t.left+t.width/2-this.labelWidth/2,i.y=t.top):"left"==this.position?(i.degrees=-90,i.x=t.left-this.labelWidth/2+this.labelHeight/2,i.y=t.height/2+t.top):"right"==this.position&&(i.degrees=90,i.x=t.left+t.width-this.labelWidth/2-this.labelHeight/2,i.y=t.height/2+t.top),i},h.prototype.draw=function(i){this.plot.getPlaceholder().find("."+this.axisName+"Label").remove();var e=this.calculateOffsets(i),s=t('
    '+this.opts.axisLabel+"
    ");this.plot.getPlaceholder().append(s)},l.prototype=new h,l.prototype.constructor=l,l.prototype.transforms=function(t,i,e){var s="";if(0!=t){for(var o=t/90;o<0;)o+=4;s+=" filter: progid:DXImageTransform.Microsoft.BasicImage(rotation="+o+"); ",this.requiresResize="right"==this.position}return 0!=i&&(s+="left: "+i+"px; "),0!=e&&(s+="top: "+e+"px; "),s},l.prototype.calculateOffsets=function(t){var i=h.prototype.calculateOffsets.call(this,t);return"top"==this.position?i.y=t.top+1:"left"==this.position?(i.x=t.left,i.y=t.height/2+t.top-this.labelWidth/2):"right"==this.position&&(i.x=t.left+t.width-this.labelHeight,i.y=t.height/2+t.top-this.labelWidth/2),i},l.prototype.draw=function(t){if(h.prototype.draw.call(this,t),this.requiresResize){var i=this.plot.getPlaceholder().find("."+this.axisName+"Label");i.css("width",this.labelWidth),i.css("height",this.labelHeight)}},t.plot.plugins.push({init:function(s){var n=!1,r={};s.hooks.draw.push(function(s,p){n?t.each(s.getAxes(),function(t,i){var e=i.options||s.getOptions()[t]||s.getOptions();e&&e.axisLabel&&i.show&&r[t].draw(i.box)}):(t.each(s.getAxes(),function(t,n){var p=n.options||s.getOptions()[t]||s.getOptions();if(p&&p.axisLabel&&n.show){var d=null;if(p.axisLabelUseHtml||"Microsoft Internet Explorer"!=navigator.appName)d=p.axisLabelUseHtml||!e()&&!i()&&!p.axisLabelUseCanvas?a:p.axisLabelUseCanvas||!e()?o:h;else{var c=navigator.userAgent;null!=new RegExp("MSIE ([0-9]{1,}[.0-9]{0,})").exec(c)&&(rv=parseFloat(RegExp.$1)),d=rv>=9&&!p.axisLabelUseCanvas&&!p.axisLabelUseHtml?h:p.axisLabelUseCanvas||p.axisLabelUseHtml?p.axisLabelUseCanvas?o:a:l}var f=void 0===p.axisLabelPadding?2:p.axisLabelPadding;r[t]=new d(t,n.position,f,s,p),r[t].calculateSize(),n.labelHeight+=r[t].height,n.labelWidth+=r[t].width,p.labelHeight=n.labelHeight,p.labelWidth=n.labelWidth}}),n=!0,s.setupGrid(),s.draw())})},options:{},name:"axisLabels",version:"2.0b0"})}(jQuery); \ No newline at end of file diff --git a/qmpy/web/static/js/jquery.flot.axislabels.js.alt b/qmpy/web/static/js/jquery.flot.axislabels.js.alt deleted file mode 100644 index 0ab6f0c4..00000000 --- a/qmpy/web/static/js/jquery.flot.axislabels.js.alt +++ /dev/null @@ -1,2477 +0,0 @@ - - - - - - - - - - - - - flot-axislabels/jquery.flot.axislabels.js at master · markrcote/flot-axislabels · GitHub - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Skip to content -
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    - - 7 - contributors - -

    - Mark Côté - xuanluo - andig - headchopperz - Jesse Zhang - Clemens Stolle - Alex Pinkney - - -
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    /*
    Axis Labels Plugin for flot.
    http://github.com/markrcote/flot-axislabels
    -
    Original code is Copyright (c) 2010 Xuan Luo.
    Original code was released under the GPLv3 license by Xuan Luo, September 2010.
    Original code was rereleased under the MIT license by Xuan Luo, April 2012.
    -
    Permission is hereby granted, free of charge, to any person obtaining
    a copy of this software and associated documentation files (the
    "Software"), to deal in the Software without restriction, including
    without limitation the rights to use, copy, modify, merge, publish,
    distribute, sublicense, and/or sell copies of the Software, and to
    permit persons to whom the Software is furnished to do so, subject to
    the following conditions:
    -
    The above copyright notice and this permission notice shall be
    included in all copies or substantial portions of the Software.
    -
    THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
    EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
    MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
    NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE
    LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION
    OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION
    WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
    */
    -
    (function ($) {
    var options = {
    axisLabels: {
    show: true
    }
    };
    -
    function canvasSupported() {
    return !!document.createElement('canvas').getContext;
    }
    -
    function canvasTextSupported() {
    if (!canvasSupported()) {
    return false;
    }
    var dummy_canvas = document.createElement('canvas');
    var context = dummy_canvas.getContext('2d');
    return typeof context.fillText == 'function';
    }
    -
    function css3TransitionSupported() {
    var div = document.createElement('div');
    return typeof div.style.MozTransition != 'undefined' // Gecko
    || typeof div.style.OTransition != 'undefined' // Opera
    || typeof div.style.webkitTransition != 'undefined' // WebKit
    || typeof div.style.transition != 'undefined';
    }
    -
    -
    function AxisLabel(axisName, position, padding, plot, opts) {
    this.axisName = axisName;
    this.position = position;
    this.padding = padding;
    this.plot = plot;
    this.opts = opts;
    this.width = 0;
    this.height = 0;
    }
    -
    AxisLabel.prototype.cleanup = function() {
    };
    -
    -
    CanvasAxisLabel.prototype = new AxisLabel();
    CanvasAxisLabel.prototype.constructor = CanvasAxisLabel;
    function CanvasAxisLabel(axisName, position, padding, plot, opts) {
    AxisLabel.prototype.constructor.call(this, axisName, position, padding,
    plot, opts);
    }
    -
    CanvasAxisLabel.prototype.calculateSize = function() {
    if (!this.opts.axisLabelFontSizePixels)
    this.opts.axisLabelFontSizePixels = 14;
    if (!this.opts.axisLabelFontFamily)
    this.opts.axisLabelFontFamily = 'sans-serif';
    -
    var textWidth = this.opts.axisLabelFontSizePixels + this.padding;
    var textHeight = this.opts.axisLabelFontSizePixels + this.padding;
    if (this.position == 'left' || this.position == 'right') {
    this.width = this.opts.axisLabelFontSizePixels + this.padding;
    this.height = 0;
    } else {
    this.width = 0;
    this.height = this.opts.axisLabelFontSizePixels + this.padding;
    }
    };
    -
    CanvasAxisLabel.prototype.draw = function(box) {
    if (!this.opts.axisLabelColour)
    this.opts.axisLabelColour = 'black';
    var ctx = this.plot.getCanvas().getContext('2d');
    ctx.save();
    ctx.font = this.opts.axisLabelFontSizePixels + 'px ' +
    this.opts.axisLabelFontFamily;
    ctx.fillStyle = this.opts.axisLabelColour;
    var width = ctx.measureText(this.opts.axisLabel).width;
    var height = this.opts.axisLabelFontSizePixels;
    var x, y, angle = 0;
    if (this.position == 'top') {
    x = box.left + box.width/2 - width/2;
    y = box.top + height*0.72;
    } else if (this.position == 'bottom') {
    x = box.left + box.width/2 - width/2;
    y = box.top + box.height - height*0.72;
    } else if (this.position == 'left') {
    x = box.left + height*0.72;
    y = box.height/2 + box.top + width/2;
    angle = -Math.PI/2;
    } else if (this.position == 'right') {
    x = box.left + box.width - height*0.72;
    y = box.height/2 + box.top - width/2;
    angle = Math.PI/2;
    }
    ctx.translate(x, y);
    ctx.rotate(angle);
    ctx.fillText(this.opts.axisLabel, 0, 0);
    ctx.restore();
    };
    -
    -
    HtmlAxisLabel.prototype = new AxisLabel();
    HtmlAxisLabel.prototype.constructor = HtmlAxisLabel;
    function HtmlAxisLabel(axisName, position, padding, plot, opts) {
    AxisLabel.prototype.constructor.call(this, axisName, position,
    padding, plot, opts);
    this.elem = null;
    }
    -
    HtmlAxisLabel.prototype.calculateSize = function() {
    var elem = $('<div class="axisLabels" style="position:absolute;">' +
    this.opts.axisLabel + '</div>');
    this.plot.getPlaceholder().append(elem);
    // store height and width of label itself, for use in draw()
    this.labelWidth = elem.outerWidth(true);
    this.labelHeight = elem.outerHeight(true);
    elem.remove();
    -
    this.width = this.height = 0;
    if (this.position == 'left' || this.position == 'right') {
    this.width = this.labelWidth + this.padding;
    } else {
    this.height = this.labelHeight + this.padding;
    }
    };
    -
    HtmlAxisLabel.prototype.cleanup = function() {
    if (this.elem) {
    this.elem.remove();
    }
    };
    -
    HtmlAxisLabel.prototype.draw = function(box) {
    this.plot.getPlaceholder().find('#' + this.axisName + 'Label').remove();
    this.elem = $('<div id="' + this.axisName +
    'Label" " class="axisLabels" style="position:absolute;">'
    + this.opts.axisLabel + '</div>');
    this.plot.getPlaceholder().append(this.elem);
    if (this.position == 'top') {
    this.elem.css('left', box.left + box.width/2 - this.labelWidth/2 +
    'px');
    this.elem.css('top', box.top + 'px');
    } else if (this.position == 'bottom') {
    this.elem.css('left', box.left + box.width/2 - this.labelWidth/2 +
    'px');
    this.elem.css('top', box.top + box.height - this.labelHeight +
    'px');
    } else if (this.position == 'left') {
    this.elem.css('top', box.top + box.height/2 - this.labelHeight/2 +
    'px');
    this.elem.css('left', box.left + 'px');
    } else if (this.position == 'right') {
    this.elem.css('top', box.top + box.height/2 - this.labelHeight/2 +
    'px');
    this.elem.css('left', box.left + box.width - this.labelWidth +
    'px');
    }
    };
    -
    -
    CssTransformAxisLabel.prototype = new HtmlAxisLabel();
    CssTransformAxisLabel.prototype.constructor = CssTransformAxisLabel;
    function CssTransformAxisLabel(axisName, position, padding, plot, opts) {
    HtmlAxisLabel.prototype.constructor.call(this, axisName, position,
    padding, plot, opts);
    }
    -
    CssTransformAxisLabel.prototype.calculateSize = function() {
    HtmlAxisLabel.prototype.calculateSize.call(this);
    this.width = this.height = 0;
    if (this.position == 'left' || this.position == 'right') {
    this.width = this.labelHeight + this.padding;
    } else {
    this.height = this.labelHeight + this.padding;
    }
    };
    -
    CssTransformAxisLabel.prototype.transforms = function(degrees, x, y) {
    var stransforms = {
    '-moz-transform': '',
    '-webkit-transform': '',
    '-o-transform': '',
    '-ms-transform': ''
    };
    if (x != 0 || y != 0) {
    var stdTranslate = ' translate(' + x + 'px, ' + y + 'px)';
    stransforms['-moz-transform'] += stdTranslate;
    stransforms['-webkit-transform'] += stdTranslate;
    stransforms['-o-transform'] += stdTranslate;
    stransforms['-ms-transform'] += stdTranslate;
    }
    if (degrees != 0) {
    var rotation = degrees / 90;
    var stdRotate = ' rotate(' + degrees + 'deg)';
    stransforms['-moz-transform'] += stdRotate;
    stransforms['-webkit-transform'] += stdRotate;
    stransforms['-o-transform'] += stdRotate;
    stransforms['-ms-transform'] += stdRotate;
    }
    var s = 'top: 0; left: 0; ';
    for (var prop in stransforms) {
    if (stransforms[prop]) {
    s += prop + ':' + stransforms[prop] + ';';
    }
    }
    s += ';';
    return s;
    };
    -
    CssTransformAxisLabel.prototype.calculateOffsets = function(box) {
    var offsets = { x: 0, y: 0, degrees: 0 };
    if (this.position == 'bottom') {
    offsets.x = box.left + box.width/2 - this.labelWidth/2;
    offsets.y = box.top + box.height - this.labelHeight;
    } else if (this.position == 'top') {
    offsets.x = box.left + box.width/2 - this.labelWidth/2;
    offsets.y = box.top;
    } else if (this.position == 'left') {
    offsets.degrees = -90;
    offsets.x = box.left - this.labelWidth/2 + this.labelHeight/2;
    offsets.y = box.height/2 + box.top;
    } else if (this.position == 'right') {
    offsets.degrees = 90;
    offsets.x = box.left + box.width - this.labelWidth/2
    - this.labelHeight/2;
    offsets.y = box.height/2 + box.top;
    }
    return offsets;
    };
    -
    CssTransformAxisLabel.prototype.draw = function(box) {
    this.plot.getPlaceholder().find("." + this.axisName + "Label").remove();
    var offsets = this.calculateOffsets(box);
    this.elem = $('<div class="axisLabels ' + this.axisName +
    'Label" style="position:absolute; ' +
    this.transforms(offsets.degrees, offsets.x, offsets.y) +
    '">' + this.opts.axisLabel + '</div>');
    this.plot.getPlaceholder().append(this.elem);
    };
    -
    -
    IeTransformAxisLabel.prototype = new CssTransformAxisLabel();
    IeTransformAxisLabel.prototype.constructor = IeTransformAxisLabel;
    function IeTransformAxisLabel(axisName, position, padding, plot, opts) {
    CssTransformAxisLabel.prototype.constructor.call(this, axisName,
    position, padding,
    plot, opts);
    this.requiresResize = false;
    }
    -
    IeTransformAxisLabel.prototype.transforms = function(degrees, x, y) {
    // I didn't feel like learning the crazy Matrix stuff, so this uses
    // a combination of the rotation transform and CSS positioning.
    var s = '';
    if (degrees != 0) {
    var rotation = degrees/90;
    while (rotation < 0) {
    rotation += 4;
    }
    s += ' filter: progid:DXImageTransform.Microsoft.BasicImage(rotation=' + rotation + '); ';
    // see below
    this.requiresResize = (this.position == 'right');
    }
    if (x != 0) {
    s += 'left: ' + x + 'px; ';
    }
    if (y != 0) {
    s += 'top: ' + y + 'px; ';
    }
    return s;
    };
    -
    IeTransformAxisLabel.prototype.calculateOffsets = function(box) {
    var offsets = CssTransformAxisLabel.prototype.calculateOffsets.call(
    this, box);
    // adjust some values to take into account differences between
    // CSS and IE rotations.
    if (this.position == 'top') {
    // FIXME: not sure why, but placing this exactly at the top causes
    // the top axis label to flip to the bottom...
    offsets.y = box.top + 1;
    } else if (this.position == 'left') {
    offsets.x = box.left;
    offsets.y = box.height/2 + box.top - this.labelWidth/2;
    } else if (this.position == 'right') {
    offsets.x = box.left + box.width - this.labelHeight;
    offsets.y = box.height/2 + box.top - this.labelWidth/2;
    }
    return offsets;
    };
    -
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    this.elem.css('height', this.labelHeight);
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    };
    -
    -
    function init(plot) {
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    -
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    //
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    // them, and then have it draw it again.
    var secondPass = false;
    -
    var axisLabels = {};
    var axisOffsetCounts = { left: 0, right: 0, top: 0, bottom: 0 };
    -
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    plot.hooks.draw.push(function (plot, ctx) {
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    $.each(plot.getAxes(), function(axisName, axis) {
    var opts = axis.options // Flot 0.7
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    -
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    opts.labelWidth = axis.labelWidth;
    axisLabels[axisName].cleanup();
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    -
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    return;
    -
    hasAxisLabels = true;
    var renderer = null;
    -
    if (!opts.axisLabelUseHtml &&
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    var re = new RegExp("MSIE ([0-9]{1,}[\.0-9]{0,})");
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    -
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    -
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    -
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    -
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    -
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    -
    -
    $.plot.plugins.push({
    init: init,
    options: options,
    name: 'axisLabels',
    version: '2.0'
    });
    })(jQuery);
    - -
    - -
    -
    - -Jump to Line - - -
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    - - - Something went wrong with that request. Please try again. -
    - - - - - - - - - - diff --git a/qmpy/web/static/js/jquery.flot.axislabels.min.js b/qmpy/web/static/js/jquery.flot.axislabels.min.js deleted file mode 100644 index e4e17454..00000000 --- a/qmpy/web/static/js/jquery.flot.axislabels.min.js +++ /dev/null @@ -1 +0,0 @@ -!function(t){function i(){return!!document.createElement("canvas").getContext&&"function"==typeof document.createElement("canvas").getContext("2d").fillText}function e(){var t=document.createElement("div");return void 0!==t.style.MozTransition||void 0!==t.style.OTransition||void 0!==t.style.webkitTransition||void 0!==t.style.transition}function s(t,i,e,s,o){this.axisName=t,this.position=i,this.padding=e,this.plot=s,this.opts=o,this.width=0,this.height=0}function o(t,i,e,o,a){s.prototype.constructor.call(this,t,i,e,o,a)}function a(t,i,e,o,a){s.prototype.constructor.call(this,t,i,e,o,a)}function h(t,i,e,s,o){a.prototype.constructor.call(this,t,i,e,s,o)}function l(t,i,e,s,o){h.prototype.constructor.call(this,t,i,e,s,o),this.requiresResize=!1}o.prototype=new s,o.prototype.constructor=o,o.prototype.calculateSize=function(){this.opts.axisLabelFontSizePixels||(this.opts.axisLabelFontSizePixels=14),this.opts.axisLabelFontFamily||(this.opts.axisLabelFontFamily="sans-serif");this.opts.axisLabelFontSizePixels,this.padding,this.opts.axisLabelFontSizePixels,this.padding;"left"==this.position||"right"==this.position?(this.width=this.opts.axisLabelFontSizePixels+this.padding,this.height=0):(this.width=0,this.height=this.opts.axisLabelFontSizePixels+this.padding)},o.prototype.draw=function(t){var i=this.plot.getCanvas().getContext("2d");i.save(),i.font=this.opts.axisLabelFontSizePixels+"px "+this.opts.axisLabelFontFamily;var e,s,o=i.measureText(this.opts.axisLabel).width,a=this.opts.axisLabelFontSizePixels,h=0;"top"==this.position?(e=t.left+t.width/2-o/2,s=t.top+.72*a):"bottom"==this.position?(e=t.left+t.width/2-o/2,s=t.top+t.height-.72*a):"left"==this.position?(e=t.left+.72*a,s=t.height/2+t.top+o/2,h=-Math.PI/2):"right"==this.position&&(e=t.left+t.width-.72*a,s=t.height/2+t.top-o/2,h=Math.PI/2),i.translate(e,s),i.rotate(h),i.fillText(this.opts.axisLabel,0,0),i.restore()},a.prototype=new s,a.prototype.constructor=a,a.prototype.calculateSize=function(){var i=t('
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IN NO EVENT SHALL THE -AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER -LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, -OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN -THE SOFTWARE. -*/ -/* -This plugin will draw labels next to the plotted points on your graph. Tested on -a scatter graph, may or may not work with other graph types. Best suited to -situations involving a smaller number of points. - -usage - - - - - -For each series that you want labeled you need to set showLabels to true, set labels to an array of label names (strings), -set the labelClass to a css class you have defined for your labels and optionally set labelPlacement to one of "left", "right", -"above" or "below" (below by default if not specified). 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+b.updateView=function(e,c){if(null!=e._viewSet){c||(c={});c.chemID||(e._searchQuery=null);c.data||(c.data="N/A");c.type=e._viewType;if(null==(e._currentView=b.__findView(e._viewSet,c)))e._currentView=b.__createViewSet(e._viewSet,c.chemID,c.viewID||c.chemID);e._currentView[c.type].data=c.data;e._currentView[c.type].smiles=e._getSmiles();a.User.viewUpdatedCallback&&a.User.viewUpdatedCallback(e,"updateView");b.__setView(e._currentView,e,!1)}};b.updateFromSync=function(e,c){e._updateMsg=c;var f=a._getAttr(c, +"sourceID")||a._getAttr(c,"file");if(f){var g=b.__findView(e._viewSet,{viewID:f});if(null==g)return a.updateView(e,c);g!=e._currentView&&b.__setView(g,e,!0);var k=(f=a._getAttr(c,"atoms"))&&0<=c.indexOf("selectionhalos ON")?eval("["+f+"]"):[];setTimeout(function(){e._currentView==g&&b.updateAtomPick(e,k)},10);a.User.viewUpdatedCallback&&a.User.viewUpdatedCallback(e,"updateFromSync")}};b.updateAtomPick=function(b,d){var c=b._currentView;if(null!=c){for(var f in c)"info"!=f&&c[f].applet!=b&&c[f].applet._updateAtomPick(d); +a.User.viewUpdatedCallback&&a.User.viewUpdatedCallback(b,"updateAtomPick")}};b.dumpViews=function(a){var c=b.sets[a];if(c){var f="View set "+a+":\n";a=b.applets[a];for(var g in a)f+="\napplet "+a[g]._id+" currentView="+(a[g]._currentView?a[g]._currentView.info.viewID:null);for(g=c.length;0<=--g;){a=c[g];var f=f+("\n\nview="+g+" viewID="+a.info.viewID+" chemID="+a.info.chemID+"\n"),k,j;for(j in a)"info"!=j&&(f+="\nview="+g+" type="+j+" applet="+((k=a[j]).applet?k.applet._id:null)+" SMILES="+ +k.smiles+"\n atomMap="+JSON.stringify(k.atomMap)+"\n data=\n"+k.data+"\n")}return f}};b.__init=function(a){var c=a._viewSet,f=b.applets;f[c]||(f[c]={});f[c][a._viewType]=a};b.__findView=function(a,c){var f=b.sets[a];null==f&&(f=b.sets[a]=[]);for(var g=f.length;0<=--g;){var k=f[g];if(c.viewID){if(k.info.viewID==c.viewID)return k}else{if(null!=c.chemID&&c.chemID==k.info.chemID)return k;for(var j in k)if("info"!=j&&(null!=c.data&&null!=k[j].data?c.data==k[j].data:c.type==j))return k}}return null};b.__createViewSet= +function(e,c,f){b.count++;c={info:{chemID:c,viewID:f||"model_"+b.count}};for(var g in a._applets)f=a._applets[g],f._viewSet==e&&(c[f._viewType]={applet:f,data:null});b.sets[e].push(c);return c};b.__setView=function(a,b,d){for(var c in a)if("info"!=c){var f=a[c],g=f.applet,k=d||null!=g&&""==g._molData;if(!(null==g||g==b&&!k)){var j=null==f.data,l=null!=g._currentView;g._currentView=a;if(!l||!(a[c].data==f.data&&!j&!k))if(g._loadModelFromView(a),j)break}}}})(a.View);a.Cache={fileCache:{}}; +a.Cache.get=function(b){return a.Cache.fileCache[b]};a.Cache.put=function(b,e){a.Cache.fileCache[b]=e};a.Cache.setDragDrop=function(b){a.$appEvent(b,"appletdiv","dragover",function(a){a=a.originalEvent;a.stopPropagation();a.preventDefault();a.dataTransfer.dropEffect="copy"});a.$appEvent(b,"appletdiv","drop",function(e){var c=e.originalEvent;c.stopPropagation();c.preventDefault();var f=c.dataTransfer.files[0];if(null==f)try{f=""+c.dataTransfer.getData("text"),(0==f.indexOf("file:/")||0==f.indexOf("http:/")|| +0==f.indexOf("https:/"))&&b._scriptLoad(f)}catch(g){}else c=new FileReader,c.onloadend=function(c){if(c.target.readyState==FileReader.DONE){var h="cache://DROP_"+f.name;c=Clazz.newByteArray(-1,c.target.result);h.endsWith(".spt")||b._appletPanel.cacheFileByName("cache://DROP_*",!1);"JSV"==b._viewType||h.endsWith(".jdx")?a.Cache.put(h,c):b._appletPanel.cachePut(h,c);(c=a._jsGetXY(b._canvas,e))&&(!b._appletPanel.setStatusDragDropped||b._appletPanel.setStatusDragDropped(0,c[0],c[1],h))&&b._appletPanel.openFileAsyncSpecial(h, +1)}},c.readAsArrayBuffer(f)})}})(Jmol,jQuery);Jmol._debugCode=!1; 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+d.__startAppletJS=function(b){0==a._version.indexOf("$Date: ")&&(a._version=(a._version.substring(7)+" -").split(" -")[0]+" (JSmol/j2s)");var d=Clazz._4Name("java.util.Hashtable").newInstance();a._setAppletParams(b._availableParams,d,b.__Info,!0);d.put("appletReadyCallback","Jmol._readyCallback");d.put("applet",!0);d.put("name",b._id);d.put("syncId",a._syncId);a._isAsync&&d.put("async",!0);b._color&&d.put("bgcolor",b._color);b._startupScript&&d.put("script",b._startupScript);a._syncedApplets.length&& +d.put("synccallback","Jmol._mySyncCallback");d.put("signedApplet","true");d.put("platform",b._platform);b._is2D&&d.put("display",b._id+"_canvas2d");d.put("documentBase",document.location.href);var c=b._j2sPath+"/";if(0>c.indexOf("://")){var e=document.location.href.split("#")[0].split("?")[0].split("/");0==c.indexOf("/")?e=[e[0],c.substring(1)]:e[e.length-1]=c;c=e.join("/")}b._j2sFullPath=c.substring(0,c.length-1);d.put("codePath",c);a._registerApplet(b._id,b);try{b._newApplet(d)}catch(f){System.out.println((a._isAsync? +"normal async abort from ":"")+f);return}b._jsSetScreenDimensions();l()};d._restoreState||(d._restoreState=function(){});d._jsSetScreenDimensions=function(){if(this._appletPanel){var b=a._getElement(this,this._is2D?"canvas2d":"canvas");this._appletPanel.setScreenDimension(b.width,b.height)}};d._show=function(b){a.$setVisible(a.$(this,"appletdiv"),b);b&&a.repaint(this,!0)};d._canScript=function(){return!0};d.equals=function(a){return this==a};d.clone=function(){return this};d.hashCode=function(){return parseInt(this._uniqueId)}; +d._processGesture=function(a){return this._appletPanel.processTwoPointGesture(a)};d._processEvent=function(a,b){this._appletPanel.processMouseEvent(a,b[0],b[1],b[2],System.currentTimeMillis())};d._resize=function(){var b="__resizeTimeout_"+this._id;a[b]&&clearTimeout(a[b]);var d=this;a[b]=setTimeout(function(){a.repaint(d,!0);a[b]=null},100)};return d};a.repaint=function(b,d){if(b&&b._appletPanel){var c=a.$(b,"appletdiv"),f=Math.round(c.width()),c=Math.round(c.height());if(b._is2D&&(b._canvas.width!= +f||b._canvas.height!=c))b._newCanvas(!0),b._appletPanel.setDisplay(b._canvas);b._appletPanel.setScreenDimension(f,c);f=function(){b._appletPanel.paint?b._appletPanel.paint(null):b._appletPanel.update(null)};d?requestAnimationFrame(f):f()}};a.loadImage=function(b,d,c,f,g,k){var j="echo_"+d+c+(f?"_"+f.length:""),l=a.getHiddenCanvas(b.vwr.html5Applet,j,0,0,!1,!0);if(null==l){if(null==k){k=new Image;if(null==f)return k.onload=function(){a.loadImage(b,d,c,null,g,k)},k.src=c,null;System.out.println("Jsmol.js Jmol.loadImage using data URI for "+ +j);k.src="string"==typeof f?f:"data:"+JU.Rdr.guessMimeTypeForBytes(f)+";base64,"+JU.Base64.getBase64(f)}var m=k.width,u=k.height;"webgl"==d&&(m/=2,u/=2);l=a.getHiddenCanvas(b.vwr.html5Applet,j,m,u,!0,!1);l.imageWidth=m;l.imageHeight=u;l.id=j;l.image=k;a.setCanvasImage(l,m,u)}else System.out.println("Jsmol.js Jmol.loadImage reading cached image for "+j);return null==f?g(l,c):l};a._canvasCache={};a.getHiddenCanvas=function(b,d,c,f,g,k){d=b._id+"_"+d;b=a._canvasCache[d];if(k)return b;if(g||!b||b.width!= +c||b.height!=f)b=document.createElement("canvas"),b.width=b.style.width=c,b.height=b.style.height=f,b.id=d,a._canvasCache[d]=b;return b};a.setCanvasImage=function(a,b,d){a.buf32=null;a.width=b;a.height=d;a.getContext("2d").drawImage(a.image,0,0,a.image.width,a.image.height,0,0,b,d)};a.applyFunc=function(a,b){return a(b)}})(Jmol); +(function(a,j){a._Applet=function(b,c,g){window[b]=this;this._jmolType="Jmol._Applet"+(c.isSigned?" (signed)":"");this._viewType="Jmol";this._isJava=!0;this._syncKeyword="Select:";this._availableParams=";progressbar;progresscolor;boxbgcolor;boxfgcolor;allowjavascript;boxmessage;\t\t\t\t\t\t\t\t\t;messagecallback;pickcallback;animframecallback;appletreadycallback;atommovedcallback;\t\t\t\t\t\t\t\t\t;echocallback;evalcallback;hovercallback;language;loadstructcallback;measurecallback;\t\t\t\t\t\t\t\t\t;minimizationcallback;resizecallback;scriptcallback;statusform;statustext;statustextarea;\t\t\t\t\t\t\t\t\t;synccallback;usecommandthread;syncid;appletid;startupscript;menufile;"; +if(g)return this;this._isSigned=c.isSigned;this._readyFunction=c.readyFunction;this._ready=!1;this._isJava=!0;this._isInfoVisible=!1;this._applet=null;this._memoryLimit=c.memoryLimit||512;this._canScript=function(){return!0};this._savedOrientations=[];this._initialize=function(b,g){var d=!1;a._jarFile&&(g=a._jarFile);if(this._jarFile){var e=this._jarFile;0<=e.indexOf("/")?(alert("This web page URL is requesting that the applet used be "+e+". This is a possible security risk, particularly if the applet is signed, because signed applets can read and write files on your local machine or network."), +"yes"==prompt("Do you want to use applet "+e+"? ","yes or no")?(b=e.substring(0,e.lastIndexOf("/")),g=e.substring(e.lastIndexOf("/")+1)):d=!0):g=e;this_isSigned=c.isSigned=0<=g.indexOf("Signed")}this._jarPath=c.jarPath=b||".";this._jarFile=c.jarFile="string"==typeof g?g:(g?"JmolAppletSigned":"JmolApplet")+"0.jar";d&&alert("The web page URL was ignored. Continuing using "+this._jarFile+' in directory "'+this._jarPath+'"');void 0==a.controls||a.controls._onloadResetForms()};this._create(b,c);return this}; +var g=a._Applet,c=a._Applet.prototype;g._get=function(b,c,k){k||(k=!1);c||(c={});a._addDefaultInfo(c,{color:"#FFFFFF",width:300,height:300,addSelectionOptions:!1,serverURL:"http://your.server.here/jsmol.php",defaultModel:"",script:null,src:null,readyFunction:null,use:"HTML5",jarPath:"java",jarFile:"JmolApplet0.jar",isSigned:!1,j2sPath:"j2s",coverImage:null,makeLiveImage:null,coverTitle:"",coverCommand:"",deferApplet:!1,deferUncover:!1,disableJ2SLoadMonitor:!1,disableInitialConsole:!0,debug:!1});a._debugAlert= +c.debug;c.serverURL&&(a._serverUrl=c.serverURL);for(var j=!1,m=null,d=c.use.toUpperCase().split("#")[0].split(" "),e=0;ek.codePath.indexOf("://")){var e=j.location.href.split("#")[0].split("?")[0].split("/");e[e.length-1]=k.codePath;k.codePath=e.join("/")}k.archive=l;k.mayscript="true";k.java_arguments="-Xmx"+Math.round(c.memoryLimit||b._memoryLimit)+"m";k.permissions=b._isSigned?"all-permissions":"sandbox";k.documentLocation=j.location.href;k.documentBase=j.location.href.split("#")[0].split("?")[0];k.jarPath=c.jarPath;a._syncedApplets.length&&(k.synccallback="Jmol._mySyncCallback"); +b._startupScript&&(k.script=b._startupScript);var e="\n",h;for(h in k)k[h]&&(e+=" \n");e=a.featureDetection.useIEObject||a.featureDetection.useHtml4Object?"":" type='application/x-java-applet'>")+e+"

    \n"+ +g._noJavaMsg+"

    \n":"\n"+e+"
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diff --git a/qmpy/web/static/js/jsmol/idioma/ar.po b/qmpy/web/static/js/jsmol/idioma/ar.po deleted file mode 100644 index 4d9c6aef..00000000 --- a/qmpy/web/static/js/jsmol/idioma/ar.po +++ /dev/null @@ -1,2601 +0,0 @@ -# Arabic translation for jmol -# Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2009. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Dilmi Fethi \n" -"Language-Team: Arabic \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "محرر الطرÙية لـ Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "أغلق" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "Ù…&ساعدة" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "ا&بحث..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&تحكم" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "رياضيات ودوال" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "احÙظ &الإعدادات" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&المزيد" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "المÙحرّر" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "الحالة" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Ù†ÙØ°" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "امسح المخرجات" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "امسح المدخلات" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "المحÙوظات" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "تحميل" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"اظغط CTRL+ENTER لإضاÙØ© سطر جديد أو ألصق نموذج البيانات ثم أنقر زر تحميل" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "المحرر النصي لـ jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "الطرÙية" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Ø¥Ùتح" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "الواجهة" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "برنامج نصّي" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "تحقق" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "خطوة" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "أوق٠مؤقتاً" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "إستأنÙ" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "أوقÙ" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "امسح" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "أغلق" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "مل٠أو رابط URL" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "نوع الصورة" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG جودة عادية ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG مظغوط ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG جودة عادية ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "نعم" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "لا" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "هل تريد الكتابة على الملÙØŸ {0}" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "تحذير" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "كل الملÙات" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "ألغ الأمر" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "أحبط المل٠المختار" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "التÙاصيل" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "الدليل" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Ø¥Ùتح المسار المحدد" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "سمات" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "عدل" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "مل٠عام" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "الإسم" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "إسم الملÙ:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "الحجم" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "الملÙات حسب النوع:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "النوع" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "المساعدة" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "تعليمات حول المل٠المختار" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "البداية" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "قائمة" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "نظرة أقرب" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "خطأ ÙÙŠ إنشاء مجلد" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "مجلد جديد" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "أنشء مجلداً جديداً" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Ø¥Ùتح الملÙات المحددة" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "إحÙظ" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "إحÙظ الملÙات المحددة" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "إحÙظ بالداخل:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "تحديث" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "تحديث قائمة الدليل" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "رÙع" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "ارÙع بمستوى واحد للأعلى" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "مواÙÙ‚" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "معاينة" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "إلحاق النماذج" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "كتلونية" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "تشيكية" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "دنماركية" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "ألمانية" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "يونانية" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "إنجليزية بريطانية" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "إنجليزية أمريكية" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "إسبانية" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "إستونية" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Ùرنسية" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "هنغارية" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "إيطالية" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "كورية" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "نرويجية بوكمال" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "هولندية" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "بولندية" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "برتغالية" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "برتغالية البرازيل" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "روسية" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "سلوÙينية" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "سويدية" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "تركية" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "أوكرانية" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "صينية مبسّطة" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "صينية تقليدية" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "لم يتم تحديد أي ذرة! لا شيئ Ø£Ùعله!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} ذرات سيتم تصغيرها إلى الحد الأدنى" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "لا شيء" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "الكل" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} معالج" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "الحجم الكلي {0} ميغابايت" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "الحجم الأقصى {0} ميغابايت" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "محرر الطرÙية لـ Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "لا ذرة محملة" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "ظبط" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "عنصر" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "لغات" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "حسب إسم" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "نموذج الإستعمالات" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "إختر ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "الذرات: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "المجموعات: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "البوليميرات: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "النماذج {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "عرض {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "القائمة الرئيسية" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "لا شيء" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "إستعرض المحددة Ùقط" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "إعكس التحديد" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "عرض" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "الواجهة" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "اليسار" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "اليمين" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "الأسÙÙ„" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "عودة" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "محاور" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "محاور" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "محاور" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "محاور" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "محاور" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "محاور" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "البروتين" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "الأساس المتبقي (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "الحمض المتبقي (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "النواة" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "الأسس" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "جميع المذيبات" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "الشكل" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "مخطط" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "الإطار السلكي" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "كرتون" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "تعقّب" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "ذرات" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "مقÙÙ„" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "روابط" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Ù…Ùعّل" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "حساب" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "التراكيب" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "صواريخ الكرتون" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "إهتزاز" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "المتجهات" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "التصوير المجسامي" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "علامات" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "بإسم الذرة" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "برقم الذرة" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "موقع العلامة على الذرة" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "توسيط" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "اليمين العلوي" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "اليمين السÙلي" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "اليسار العلوي" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "اليسار السÙلي" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "اللون" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "جزيئ" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "سلسلة" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "مجموعة" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "أسود" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "أبيض" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "سماوي" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "أحمر" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "برتقالي" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "أصÙر" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "أخضر" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "أزرق" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "نيلي" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "بنÙسجي" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "سالمون" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "أخضر زيتوني" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "رمادي" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "ذهبي" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "إجعله شبه Ø´ÙاÙ" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "الخلÙية" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "أسطح" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "محاور" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "الحجم" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "تكبير" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "تصغير" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Ù„Ù" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "حركة" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "تكرار" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "أوقÙ" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "محرر الطرÙية لـ Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Ø¥Ùتح الملÙات المحددة" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Ø¥Ùتح" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "خطأ ÙÙŠ الملÙ:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "تحميل بريمج Applet جارÙ" - -#~ msgid " {0} seconds" -#~ msgstr " {0} ثانية" - -#~ msgid "1 processor" -#~ msgstr "معالج واحد" - -#~ msgid "unknown processor count" -#~ msgstr "لا يوجد معالج" - -#~ msgid "{0} MB free" -#~ msgstr "المساحة الحرة {0} ميغابايت" - -#~ msgid "unknown maximum" -#~ msgstr "الحد الأقصى غير معلوم" diff --git a/qmpy/web/static/js/jsmol/idioma/bs.po b/qmpy/web/static/js/jsmol/idioma/bs.po deleted file mode 100644 index 71d8a80a..00000000 --- a/qmpy/web/static/js/jsmol/idioma/bs.po +++ /dev/null @@ -1,2564 +0,0 @@ -# Bosnian translation for jmol -# Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2011. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Kenan DerviÅ¡ević \n" -"Language-Team: Bosnian \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -msgid "&Close" -msgstr "" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Pomoć" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Pretraga..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Naredbe" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&ViÅ¡e" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "UreÄ‘ivaÄ" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "IzvrÅ¡i" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Historija" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "UÄitaj" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:143 -msgid "Font" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -msgid "none" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -msgid "Jmol Script Commands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -msgid "Axis x" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -msgid "Axis y" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -msgid "Axis z" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -msgid "Axis a" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -msgid "Axis b" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -msgid "Axis c" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -msgid "JavaScript Console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -msgid "Open local file" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -msgid "Open URL" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" diff --git a/qmpy/web/static/js/jsmol/idioma/ca.po b/qmpy/web/static/js/jsmol/idioma/ca.po deleted file mode 100644 index 22c05085..00000000 --- a/qmpy/web/static/js/jsmol/idioma/ca.po +++ /dev/null @@ -1,2649 +0,0 @@ -# Jmol application. -# Copyright (C) 1998-2004 The Jmol Development Team -# This file is distributed under the same license as the PACKAGE package. -# Toni Hermoso Pulido , YEAR. -# -msgid "" -msgstr "" -"Project-Id-Version: Jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 23:44+0000\n" -"Last-Translator: Nicolas Vervelle \n" -"Language-Team: Catalan \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Country: SPAIN\n" -"X-Poedit-Language: Catalan\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Element?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Consola de scripts del Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Fitxer" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Tanca" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "A&juda" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "Ce&rca…" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Ordres" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "&Funcions matemàtiques" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Defineix els &paràmetres" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Més" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Editor" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Estat" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Executa" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Neteja la sortida" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Neteja l'entrada" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Historial" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Carrega" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"premeu Ctrl+Retorn per a una nova línia o enganxeu les dades del model i " -"premeu Carrega" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Els missatges apareixeran ací. Introduïu les ordres en el quadre a " -"continuació. Feu clic a l'element Ajuda del menú de la consola per a " -"consultar l'ajuda en línia, que es mostrarà en una nova finestra del " -"navegador." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Editor d'scripts del Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Consola" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Obre" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Frontal" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Script" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Comprova" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "A dalt" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Pas" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pausa" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Reprèn" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Atura" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Neteja" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Tanca" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Fitxer o URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Tipus d'imatge" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Qualitat del JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Compressió PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Qualitat del PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Sí" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "No" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Voleu sobreescriure el fitxer {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Avís" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Tots els fitxers" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Cancel·la" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Avorta el diàleg de selecció de fitxers" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Detalls" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Directori" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Obre el directori seleccionat" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Atributs" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Modificat" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Fitxer genèric" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Nom" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Nom del fitxer:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Mida" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Fitxers del tipus:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Tipus" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Ajuda" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Ajuda del selector de fitxers" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Inici" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Llista" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Cerca a:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "S'ha produït un error en crear la carpeta nova" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Carpeta nova" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Crea una carpeta nova" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Obre el fitxer seleccionat" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Desa" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Desa el fitxer seleccionat" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Desa a:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Actualitza" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Actualitza la llista de directoris" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Amunt" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Un nivell amunt" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "D'acord" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Previsualització" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Afegeix els models" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "Dibuixos del PDB" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"Nota: Existeixen posicions pels hidrògens amida de l'esquelet però seran " -"ignorats. Les seues posicions s'aproximaran, tal i com es fa en l''anàlisi " -"DSSP típic.\n" -"Utilitzeu {0} si no voleu emprar aquest mètode.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"NOTA: Existeixen posicions per als hidrògens amida de l'esquelet i " -"s'utilitzaran. Els resultats poden diferir d'un mode significatiu dels d'una " -"anàlisi DSSP típica.\n" -"Feu servir {0} per ignorar dites posicions dels hidrògens.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Àrab" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturià" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "Àzeri" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosnià" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Català" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Txec" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Danès" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Alemany" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Grec" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Anglès d'Austràlia" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Anglès britànic" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Anglès americà" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Espanyol" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estonià" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "Euskera" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finès" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Feroès" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Francès" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Frisó" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "Gallec" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Croat" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Hongarès" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armeni" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesi" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italià" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japonès" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Javanès" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Coreà" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Malai" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Noruec Bökmal" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Holandès" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occità" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polonès" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portuguès" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Portuguès del Brasil" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Rus" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Eslovè" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbi" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Suec" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tàmil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turc" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uigur" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ucraïnès" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "Uzbek" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Xinès simplificat" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Xinès tradicional" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "No es pot aconseguir la classe del camp de força {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "No s'ha seleccionat cap àtom -- no hi ha res per fer!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "Es minimitzaran {0} àtoms." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "no ha pogut configurar-se el camp de força {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "nou" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "desfés (CTRL + Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "refés (CTRL + Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "centre" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "afegeix els hidrògens" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimitza" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "corregeix els hidrògens i minimitza" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "neteja" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "desa l'arxiu" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "desa l'estat" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "inverteix l'estereoquímica de l'anell" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "suprimeix l'àtom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "arrossega per enllaçar" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "arrossega l'àtom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "arrossega l'àtom (i minimitza)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "arrossega i minimitza la molècula (acoblament)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "augmenta la càrrega" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "disminueix la càrrega" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "suprimeix l'enllaç" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "únic" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "doble" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "triple" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "augmenta l'ordre" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "disminueix l'ordre" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "rota l'enllaç (Mayús. + arrossega)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "surt del modelat" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Grup espacial" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Cap" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Tot" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} processadors" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB en total" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB com a màxim" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Consola de scripts del Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Manual del ratolí" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Traduccions" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Sistema" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "No s'ha carregat cap àtom" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Configuracions" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Element" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Model/fotograma" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Idioma" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Per nom de residu" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Per HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Orbitals moleculars ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Simetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Informació del model" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Selecciona ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Tots els {0} models" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Configuracions ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Col·lecció de {0} models" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "àtoms: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "enllaços: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "grups: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "cadenes: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polímers: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Vista {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Menú principal" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolècules" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolècula {0} ({1} àtoms)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "carrega la biomolècula {0} ({1} àtoms)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Cap" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Mostra només allò seleccionat" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Inverteix la selecció" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Visualització" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Frontal" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Esquerra" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Dreta" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Des de dalt" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Inferior" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Dorsal" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Proteïna" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Esquelet" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Cadenes laterals" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Residus polars" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Residus no polars" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Residus bàsics (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Residus acídics (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Residus sense càrrega" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nucleic" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "ADN" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "ARN" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Bases" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "Parelles AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "Parelles GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "Parelles AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Estructura secundària" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Tots els «HETATM» del PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Tot el solvent" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Tota l'aigua" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Solvent no aquós" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "HETATM no aquosos" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Lligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Carbohidrat" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Cap dels anteriors" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Estil" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Esquema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "Esferes CPK" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Boles i bastons" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Bastons" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Filferro" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Dibuix" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Traç" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Àtoms" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Desactiva" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Enllaços" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Activa" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Enllaços d'hidrogen" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Calcula" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Defineix els enllaços d'hidrogen de les cadenes laterals" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Defineix els ponts d'hidrogen de l'esquelet" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Enllaços disulfur" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Defineix els enllaços disulfur de les cadenes laterals" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Defineix els enllaços disulfur de l'esquelet" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Estructures" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Dibuix en coets" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Cintes" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Coets" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Cadenes" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibració" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vectors" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Espectres" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} píxels" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Escala {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Estereogràfic" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Ulleres vermell+cian" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Ulleres vermell+blau" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Ulleres vermell+verd" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Visió guenya" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Visió paral·lela" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Etiquetes" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Amb el símbol de l'element" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Amb el nom de l'àtom" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Amb el número de l'àtom" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Posició de l'etiqueta a l'àtom" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Centrat" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Marge superior dret" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Marge inferior dret" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Marge superior esquerre" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Marge inferior esquerre" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Color" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Per esquema" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Element (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Ubicació alternativa" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molècula" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Càrrega formal" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Càrrega parcial" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Temperatura (relativa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Temperatura (fixada)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminoàcid" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Cadena" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Grup" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monòmer" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Segons la forma" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Hereta" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Negre" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Blanc" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Cian" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Vermell" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Taronja" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Groc" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Verd" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Blau" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indi" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violeta" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Salmó" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Verd oliva" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Granat" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Gris" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Blau pissarra" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Daurat" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orquídia" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Fes opaca" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Fes translúcida" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Fons" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Superfícies" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Quadre" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Cel·la unitat" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Zoom" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Amplia" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Redueix" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Rotació" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Defineix la velocitat X" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Defineix la velocitat Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Defineix la velocitat Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Defineix els FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animació" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Mode d'animació" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Reprodueix una vegada" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palíndrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "En bucle" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Reprodueix" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Atura" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Següent fotograma" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Anterior fotograma" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Rebobina" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Reproducció inversa" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Reinicia" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Amb doble clic es comencen i acaben totes les mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Feu clic per a mesurar la distància" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Feu clic per a mesurar l'angle" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Feu clic per a mesurar la torsió (angle dihèdric)" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Feu clic en dos àtoms per mostrar una seqüència en la consola" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Suprimeix les mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Llista les mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Unitats de distància en nanòmetres" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Unitats de distància en Angstroms" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Unitats de distància en picòmetres" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Defineix la tria" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Centre" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identitat" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Etiqueta" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Selecciona un àtom" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Selecciona una cadena" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Selecciona un element" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "surt del modelat" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Selecciona un grup" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Selecciona una molècula" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Selecciona un lloc" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Mostra l'operació de simetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Mostra" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Consola de scripts del Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Continguts del fitxer" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Capçalera del fitxer" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Dades JVXL de la isosuperfície" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Dades JVXL de l'orbital molecular" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Model" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientació" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Grup espacial" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Estat actual" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Fitxer" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Torna a carregar" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Obre des del PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Obre el fitxer seleccionat" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Obre" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Carrega la cel·la unitat sencera" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Obre un script" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Desa una còpia de {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Desa l'script amb estat" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Desa l'script amb historial" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Exporta la imatge {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Desa-ho tot com un arxiu JMOL (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Desa la isosuperfície JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Exporta el model 3D {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Càlcul" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimitza l'estructura" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Eina de modelat" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Extreu-ne les dades MOL" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Superfície puntejada" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "Superfície van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Superfície molecular" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Superfície del solvent (sonda de {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Superfície accesible al solvent (VDW + {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Torna a carregar {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Torna a carregar {0} + Mostra {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Recàrrega + polihedres" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Amaga" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Puntejat" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Amplada del píxel" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Amplada de l'àngstrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Selecció dels halos" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Mostra els hidrògens" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Mostra les mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Perspectiva en profunditat" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Colors del RasMol" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Quant a..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "ERROR del compilador de script: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "s'esperava un eix x y z" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "no es permet {0} amb el model de fons que es mostra" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "nombre incorrecte d'arguments" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Els índexs de Miller no poden ser tots zero." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "el color [R,G,B] és incorrecte" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "s'esperava un booleà" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "s'esperava un booleà o un nombre" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "s''esperava un boolea, un nombre o {0}" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "No s'ha pogut posar el valor" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "s'esperava un color" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "cal un nom de color o de paleta (Jmol, Rasmol)" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "s'esperava una ordre" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "cal {x y z}, $name o (expressió atòmica)" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "l'objecte de dibuix no està definit" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "fi de l'ordre de l'script no esperat" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "s'esperava una (expressió atòmica) vàlida" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "s'esperava una (expressió atòmica) o un nombre enter" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "s'esperava un nom de fitxer" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "no s'ha trobat el fitxer" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "arguments incompatibles" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "arguments insuficients" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "s'esperava un enter" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "l''enter és fora del rang ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "l'argument no és vàlid" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "ordre dels paràmetres no vàlid" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "s'esperava una paraula clau" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "no hi ha dades del coeficient d'OM disponibles" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "És necessari un índex d'OM d'1 a {0}" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "no hi ha dades de base/coeficient d'OM per a aquest fotograma" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "no hi ha dades d'ocupació d'OM disponibles" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Només hi ha un orbital molecular disponible en aquest fitxer" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} requereix que només es mostri un model" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} requereix que només s'haga carregat un model" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "No hi ha dades disponibles" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"No s'han llegit càrregues parcials al fitxer; el Jmol les necessita per a " -"dibuixar les dades d'EPM." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "No hi ha cap cel·la unitat" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "s'esperava un nombre" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "el número ha de ser ({0} o {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "el nombre decimal està fora de l''abast ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "s'esperava el nom de l'objecte després de '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"s''esperava un pla -- tres punts, unes expressions atòmiques, {0}, {1} o {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "s'esperava un nom de propietat" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "no s''ha trobat el grup espacial {0}." - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "s'esperava una cadena entre cometes" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "s'esperava una cadena entre cometes o un identificador" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "s'han especificat massa punts de rotació" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "massa nivells de script" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "propietat de l'àtom no reconeguda" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "propietat de l'enllaç no reconeguda" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "ordre no reconegut" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "expressió d'execució no reconeguda" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "objecte no reconegut" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "paràmetre {0} no reconegut" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" -"paràmetre {0} a l'script d'estat del Jmol no reconegut (tot i així definit)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "paràmetre no reconegut per a SHOW -- utilitzeu {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "què s'ha d'escriure? {0} o {1} \"nomdefitxer\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "ERROR de l'script: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} àtoms suprimits" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} enllaços d'hidrogen" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "s'ha creat el fitxer '{0}'" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "el context no és vàlid per a {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "s'esperava { nombre nombre nombre }" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "s'esperava la fi d'una expressió" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "s'esperava un identificador o una especifació de residu" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "l'especificació d'àtom no és vàlida" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "l'especificació de cadena no és vàlida" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "el testimoni d''expressió no és vàlid: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "l'especificació de model no és vàlida" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "Manca END per a {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "s'esperava un nombre o nom de variable" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "s'esperava una especificació de residu (ALA, AL?, A*)" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "esperava {0}" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "no esperava {0}" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "no es reconeix el testimoni de l''expressió: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "fitxa no reconeguda: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "s'han afegit '{0}' puntals" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "s''han suprimit {0} connexions" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} enllaços nous; {1} de modificats" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Nota: en aquest contacte hi estan implicats uns quants models!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Feu clic per al menú…" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Miniaplicació de Jmol, versió {0} {1}.\n" -"\n" -"Un projecte d'OpenScience. \n" -"\n" -"Consulteu http://www.jmol.org per a més informació" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Error de fitxer:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "assigna o afegix un àtom o enllaç (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "obre el menú contextual recent (prem el logotip del Jmol)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "esborra àtom (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "esborra enllaç (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "ajusta el pla posterior de secció (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "moure àtom (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "moure l'objecte dibuixat (requerix '{0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "moure un punt de l'objecte dibuixat (requerix '{0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "moure etiqueta (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "moure àtom i minimitza la molècula (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "mou i minimitza la molècula (requereix {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "mou els àtoms seleccionats (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "arrossega els àtoms en la direcció Z (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simula entrada multitàctil usant el ratolí)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "trasllada el punt de navegació (requereix {0} i {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "trieu un àtom" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "connecta els àtoms (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "trieu un punt a la isosuperfície (ISOSURFACE) (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "trieu una etiqueta per canviar la seva visibilitat (requereix {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"trieu un àtom per incloure'l en una mesura (després d'iniciar una mesura o " -"després de {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "trieu un punt o un àtom fins el qual navegar (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "trieu un punt d'un objecte dibuixat (per mesuraments) (requereix '{0})" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "obre el menú contextual complet" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "reinicia (quan es cliqui fora del model)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "gira" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "rota la branca al voltant de l'enllaç (requerix '{0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "rota els àtoms seleccionats (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "gira la Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"rotació de l'eix Z (desplaçament horitzontal del ratolí) o mida " -"(desplaçament vertical del ratolí)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "seleccioneu un àtom (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "selecciona i arrossega els àtoms (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "de-selecciona aquest grup d'àtoms (requerix '{0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "cancel·la la selecció (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "afegix aquest grup d'àtoms a la selecció (requerix '{0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "(des)activa la selecció (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"si estan tots seleccionats, suprimeix la selecció; si no, afegeix aquest " -"grup d'àtoms a la selecció (requerix '{0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "trieu un àtom per iniciar o finalitzar una mesura" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "ajusta el pla davanter de secció (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "desplaça els plànols de secció (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "zoom (al llarg de la vora dreta de la finestra)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"feu clic en dos punts per a definir un eix de gir antihorari (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"feu clic en dos punts per a definir un eix de gir horari (requereix {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "atura el moviment (requerix {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" -"gira el model (llisqueu i deixeu anar el botó i atureu el moviment " -"simultàniament)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "trasllada" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "zoom" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "trieu un o més àtoms per a fer girar el model al voltant d'un eix" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "trieu dos àtoms per a fer girar el model al voltant d'un eix" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "trieu un àtom més per mostrar la relació de simetria" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" -"trieu en ordre dos àtoms per a mostrar la relació de simetria entre ells" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Definint l'arxiu de registre com a '{0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "No es pot establir la ruta de l'arxiu de registre." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} àtoms amagats" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} àtoms seleccionats" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Arrossegueu per a moure l'etiqueta" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" -"el porta-retalls no és accessible -- utilitzeu una miniaplicació signada" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "s'han afegit '{0} hidrògens" - -#~ msgid "Hide Symmetry" -#~ msgstr "Amaga la simetria" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "S'està carregant la miniaplicació del Jmol…" - -#~ msgid " {0} seconds" -#~ msgstr " {0} segons" - -#~ msgid "Java version:" -#~ msgstr "Versió del Java:" - -#~ msgid "1 processor" -#~ msgstr "1 processador" - -#~ msgid "unknown processor count" -#~ msgstr "nombre de processadors desconegut" - -#~ msgid "Java memory usage:" -#~ msgstr "Ús de memòria del Java" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB lliures" - -#~ msgid "unknown maximum" -#~ msgstr "màxim desconegut" - -#~ msgid "Open file or URL" -#~ msgstr "Obre un fitxer o un URL" diff --git a/qmpy/web/static/js/jsmol/idioma/ca@valencia.po b/qmpy/web/static/js/jsmol/idioma/ca@valencia.po deleted file mode 100644 index 3ab5ad40..00000000 --- a/qmpy/web/static/js/jsmol/idioma/ca@valencia.po +++ /dev/null @@ -1,2544 +0,0 @@ -# Catalan (Valencian) translation for jmol -# Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2011. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: FULL NAME \n" -"POT-Creation-Date: 2013-10-09 20:04+0200\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: FULL NAME \n" -"Language-Team: Catalan (Valencian) \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/applet/AppletWrapper.java:101 -msgid "Loading Jmol applet ..." -msgstr "S'està carregant la miniaplicació del Jmol…" - -#: org/jmol/applet/AppletWrapper.java:176 -#, java-format -msgid " {0} seconds" -msgstr " {0} segons" - -#: org/jmol/applet/Jmol.java:711 org/jmol/appletjs/Jmol.java:366 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Miniaplicació de Jmol, versio {0} {1}.\n" -"\n" -"Un projecte d'OpenScience. \n" -"\n" -"Consulteu http://www.jmol.org per a més informació" - -#: org/jmol/applet/Jmol.java:985 org/jmol/appletjs/Jmol.java:603 -msgid "File Error:" -msgstr "Error de fitxer:" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:76 -#: org/jmol/modelkit/ModelKitPopup.java:56 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:79 -msgid "&Help" -msgstr "A&juda" - -#: org/jmol/console/GenericConsole.java:80 -msgid "&Search..." -msgstr "Ce&rca…" - -#: org/jmol/console/GenericConsole.java:81 -msgid "&Commands" -msgstr "&Ordes" - -#: org/jmol/console/GenericConsole.java:82 -msgid "Math &Functions" -msgstr "&Funcions matemàtiques" - -#: org/jmol/console/GenericConsole.java:83 -msgid "Set &Parameters" -msgstr "Defineix els &paràmetres" - -#: org/jmol/console/GenericConsole.java:84 -msgid "&More" -msgstr "&Més" - -#: org/jmol/console/GenericConsole.java:85 -msgid "Editor" -msgstr "Editor" - -#: org/jmol/console/GenericConsole.java:86 -msgid "State" -msgstr "Estat" - -#: org/jmol/console/GenericConsole.java:87 -#: org/jmol/console/ScriptEditor.java:140 -msgid "Run" -msgstr "Executa" - -#: org/jmol/console/GenericConsole.java:88 -msgid "Clear Output" -msgstr "Neteja l'eixida" - -#: org/jmol/console/GenericConsole.java:89 -msgid "Clear Input" -msgstr "Neteja l'entrada" - -#: org/jmol/console/GenericConsole.java:90 -#: org/jmol/popup/MainPopupResourceBundle.java:895 -msgid "History" -msgstr "Historial" - -#: org/jmol/console/GenericConsole.java:91 -msgid "Load" -msgstr "Carrega" - -#: org/jmol/console/GenericConsole.java:93 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"premeu Ctrl+Retorn per a una nova línia o enganxeu les dades del model i " -"premeu Carrega" - -#: org/jmol/console/GenericConsole.java:95 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Els missatges apareixeran ací. Introduïu les ordes en el quadre a " -"continuació. Feu clic a l'element Ajuda del menú de la consola per a " -"consultar l'ajuda en línia, que es mostrarà en una nova finestra del " -"navegador." - -#: org/jmol/console/GenericConsole.java:128 -msgid "Jmol Script Console" -msgstr "Consola script del Jmol" - -#: org/jmol/console/ScriptEditor.java:101 -msgid "Jmol Script Editor" -msgstr "Editor d'scripts del Jmol" - -#: org/jmol/console/ScriptEditor.java:133 -#: org/jmol/popup/MainPopupResourceBundle.java:891 -msgid "Console" -msgstr "Consola" - -#: org/jmol/console/ScriptEditor.java:135 org/jmol/dialog/Dialog.java:445 -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:472 -msgid "Open" -msgstr "Obri" - -#: org/jmol/console/ScriptEditor.java:136 -msgid "Script" -msgstr "Script" - -#: org/jmol/console/ScriptEditor.java:137 -msgid "Check" -msgstr "Comprova" - -#: org/jmol/console/ScriptEditor.java:138 -msgid "" -"Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "A dalt" - -#: org/jmol/console/ScriptEditor.java:139 -msgid "Step" -msgstr "Pas" - -#: org/jmol/console/ScriptEditor.java:141 -#: org/jmol/popup/MainPopupResourceBundle.java:847 -msgid "Pause" -msgstr "Pausa" - -#: org/jmol/console/ScriptEditor.java:143 -#: org/jmol/popup/MainPopupResourceBundle.java:848 -msgid "Resume" -msgstr "Reprén" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Halt" -msgstr "Atura" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Clear" -msgstr "Neteja" - -#: org/jmol/console/ScriptEditor.java:148 -msgid "Close" -msgstr "Tanca" - -#: org/jmol/dialog/Dialog.java:93 -msgid "File or URL:" -msgstr "Fitxer o URL:" - -#: org/jmol/dialog/Dialog.java:270 -msgid "Image Type" -msgstr "Tipus d'imatge" - -#: org/jmol/dialog/Dialog.java:285 org/jmol/dialog/Dialog.java:326 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Qualitat del JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:299 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Compressió PNG ({0})" - -#: org/jmol/dialog/Dialog.java:329 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Qualitat del PNG ({0})" - -#: org/jmol/dialog/Dialog.java:376 org/jmol/dialog/Dialog.java:488 -msgid "Yes" -msgstr "Sí" - -#: org/jmol/dialog/Dialog.java:376 org/jmol/dialog/Dialog.java:486 -msgid "No" -msgstr "No" - -#: org/jmol/dialog/Dialog.java:378 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Voleu sobreescriure el fitxer {0}?" - -#: org/jmol/dialog/Dialog.java:379 -msgid "Warning" -msgstr "Avís" - -#: org/jmol/dialog/Dialog.java:437 -msgid "All Files" -msgstr "Tots els fitxers" - -#: org/jmol/dialog/Dialog.java:438 org/jmol/dialog/Dialog.java:485 -msgid "Cancel" -msgstr "Cancel·la" - -#: org/jmol/dialog/Dialog.java:440 -msgid "Abort file chooser dialog" -msgstr "Avorta el diàleg de selecció de fitxers" - -#: org/jmol/dialog/Dialog.java:442 org/jmol/dialog/Dialog.java:443 -msgid "Details" -msgstr "Detalls" - -#: org/jmol/dialog/Dialog.java:444 -msgid "Directory" -msgstr "Directori" - -#: org/jmol/dialog/Dialog.java:447 -msgid "Open selected directory" -msgstr "Obri el directori seleccionat" - -#: org/jmol/dialog/Dialog.java:448 -msgid "Attributes" -msgstr "Atributs" - -#: org/jmol/dialog/Dialog.java:449 -msgid "Modified" -msgstr "Modificat" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Generic File" -msgstr "Fitxer genèric" - -#: org/jmol/dialog/Dialog.java:451 -msgid "Name" -msgstr "Nom" - -#: org/jmol/dialog/Dialog.java:452 -msgid "File Name:" -msgstr "Nom del fitxer:" - -#: org/jmol/dialog/Dialog.java:453 -msgid "Size" -msgstr "Mida" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Files of Type:" -msgstr "Fitxers del tipus:" - -#: org/jmol/dialog/Dialog.java:455 -msgid "Type" -msgstr "Tipus" - -#: org/jmol/dialog/Dialog.java:456 -msgid "Help" -msgstr "Ajuda" - -#: org/jmol/dialog/Dialog.java:458 -msgid "FileChooser help" -msgstr "Ajuda del selector de fitxers" - -#: org/jmol/dialog/Dialog.java:459 org/jmol/dialog/Dialog.java:460 -msgid "Home" -msgstr "Inici" - -#: org/jmol/dialog/Dialog.java:461 org/jmol/dialog/Dialog.java:462 -msgid "List" -msgstr "Llista" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Look In:" -msgstr "Cerca a:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Error creating new folder" -msgstr "S'ha produït un error en crear la carpeta nova" - -#: org/jmol/dialog/Dialog.java:466 -msgid "New Folder" -msgstr "Carpeta nova" - -#: org/jmol/dialog/Dialog.java:468 -msgid "Create New Folder" -msgstr "Crea una carpeta nova" - -#: org/jmol/dialog/Dialog.java:471 -msgid "Open selected file" -msgstr "Obri el fitxer seleccionat" - -#: org/jmol/dialog/Dialog.java:473 org/jmol/dialog/Dialog.java:476 -msgid "Save" -msgstr "Alça" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Save selected file" -msgstr "Alça el fitxer seleccionat" - -#: org/jmol/dialog/Dialog.java:477 -msgid "Save In:" -msgstr "Alça a:" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Update" -msgstr "Actualitza" - -#: org/jmol/dialog/Dialog.java:480 -msgid "Update directory listing" -msgstr "Actualitza la llista de directoris" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Up" -msgstr "Amunt" - -#: org/jmol/dialog/Dialog.java:482 -msgid "Up One Level" -msgstr "Un nivell amunt" - -#: org/jmol/dialog/Dialog.java:487 -msgid "OK" -msgstr "D'acord" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Previsualització" - -#: org/jmol/dialog/FilePreview.java:97 -msgid "Append models" -msgstr "Afig els models" - -#: org/jmol/dialog/FilePreview.java:99 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Àrab" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Català" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Txec" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Danés" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Alemany" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Grec" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Anglés britànic" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Anglés americà" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Espanyol" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estonià" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Feroés" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Francés" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Hongarés" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesi" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italià" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japonés" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Coreà" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Noruec Bökmal" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Holandés" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occità" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polonés" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugués" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Portugués del Brasil" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Rus" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Eslovè" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Suec" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tàmil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turc" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ucraïnés" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Xinés simplificat" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Xinés tradicional" - -#: org/jmol/minimize/Minimizer.java:219 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "No es pot aconseguir la classe del camp de força {0}" - -#: org/jmol/minimize/Minimizer.java:225 -msgid "No atoms selected -- nothing to do!" -msgstr "No s'ha seleccionat cap àtom -- no hi ha res per fer!" - -#: org/jmol/minimize/Minimizer.java:310 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "Es minimitzaran {0} àtoms." - -#: org/jmol/minimize/Minimizer.java:325 -#, java-format -msgid "could not setup force field {0}" -msgstr "no ha pogut configurar-se el camp de força {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:84 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:85 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:86 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:87 -#: org/jmol/viewer/ActionManager.java:342 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:109 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:110 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:111 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:112 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/modelsetbio/AminoPolymer.java:579 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/modelsetbio/AminoPolymer.java:585 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:636 -#: org/jmol/popup/MainPopupResourceBundle.java:570 -msgid "No atoms loaded" -msgstr "No s'ha carregat cap àtom" - -#: org/jmol/popup/GenericPopup.java:913 -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "Space Group" -msgstr "Grup espacial" - -#: org/jmol/popup/GenericPopup.java:983 org/jmol/popup/GenericPopup.java:1033 -#: org/jmol/popup/MainPopupResourceBundle.java:603 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -msgid "All" -msgstr "Tot" - -#: org/jmol/popup/GenericPopup.java:1145 -#: org/jmol/popup/MainPopupResourceBundle.java:1000 -msgid "Mouse Manual" -msgstr "Manual del ratolí" - -#: org/jmol/popup/GenericPopup.java:1147 -#: org/jmol/popup/MainPopupResourceBundle.java:1001 -msgid "Translations" -msgstr "Translacions" - -#: org/jmol/popup/GenericPopup.java:1151 -msgid "System" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1156 -msgid "Java version:" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1170 -msgid "1 processor" -msgstr "1 processador" - -#: org/jmol/popup/GenericPopup.java:1171 -#, java-format -msgid "{0} processors" -msgstr "{0} processadors" - -#: org/jmol/popup/GenericPopup.java:1173 -msgid "unknown processor count" -msgstr "recompte de processadors desconegut" - -#: org/jmol/popup/GenericPopup.java:1174 -msgid "Java memory usage:" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1179 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB en total" - -#: org/jmol/popup/GenericPopup.java:1181 -#, java-format -msgid "{0} MB free" -msgstr "{0} MB lliures" - -#: org/jmol/popup/GenericPopup.java:1184 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB com a màxim" - -#: org/jmol/popup/GenericPopup.java:1187 -msgid "unknown maximum" -msgstr "màxim desconegut" - -#: org/jmol/popup/GenericPopup.java:1299 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:572 -msgid "Configurations" -msgstr "Configuracions" - -#: org/jmol/popup/MainPopupResourceBundle.java:573 -msgid "Element" -msgstr "Element" - -#: org/jmol/popup/MainPopupResourceBundle.java:574 -msgid "Model/Frame" -msgstr "Model/fotograma" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -msgid "Language" -msgstr "Llengua" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -#: org/jmol/popup/MainPopupResourceBundle.java:577 -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "By Residue Name" -msgstr "Per nom de residu" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "By HETATM" -msgstr "Per HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -#: org/jmol/popup/MainPopupResourceBundle.java:902 -#: org/jmol/popup/MainPopupResourceBundle.java:958 -msgid "Symmetry" -msgstr "Simetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Hide Symmetry" -msgstr "Amaga la simetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Model information" -msgstr "Informació del model" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -#, java-format -msgid "Select ({0})" -msgstr "Selecciona ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:586 -#, java-format -msgid "All {0} models" -msgstr "Tots els {0} models" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -#, java-format -msgid "Configurations ({0})" -msgstr "Configuracions ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#, java-format -msgid "Collection of {0} models" -msgstr "Col·lecció de {0} models" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -#, java-format -msgid "atoms: {0}" -msgstr "àtoms: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:590 -#, java-format -msgid "bonds: {0}" -msgstr "enllaços: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -#, java-format -msgid "groups: {0}" -msgstr "grups: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -#, java-format -msgid "chains: {0}" -msgstr "cadenes: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -#, java-format -msgid "polymers: {0}" -msgstr "polímers: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -#, java-format -msgid "model {0}" -msgstr "model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -#, java-format -msgid "View {0}" -msgstr "Vista {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "Main Menu" -msgstr "Menú principal" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Biomolecules" -msgstr "Biomolècules" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolècula {0} ({1} àtoms)" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "carrega una biomolècula {0} ({1} àtoms)" - -#: org/jmol/popup/MainPopupResourceBundle.java:604 -#: org/jmol/popup/MainPopupResourceBundle.java:731 -#: org/jmol/popup/MainPopupResourceBundle.java:740 -msgid "None" -msgstr "Cap" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -msgid "Display Selected Only" -msgstr "Mostra només allò seleccionat" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "Invert Selection" -msgstr "Inverteix la selecció" - -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "View" -msgstr "Visualització" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Front" -msgstr "Frontal" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Left" -msgstr "Esquerra" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Right" -msgstr "Dreta" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Bottom" -msgstr "Inferior" - -#: org/jmol/popup/MainPopupResourceBundle.java:615 -msgid "Back" -msgstr "Dorsal" - -#: org/jmol/popup/MainPopupResourceBundle.java:617 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Protein" -msgstr "Proteïna" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -#: org/jmol/popup/MainPopupResourceBundle.java:632 -#: org/jmol/popup/MainPopupResourceBundle.java:702 -#: org/jmol/popup/MainPopupResourceBundle.java:799 -msgid "Backbone" -msgstr "Esquelet" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Side Chains" -msgstr "Cadenes laterals" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Polar Residues" -msgstr "Residus polars" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -msgid "Nonpolar Residues" -msgstr "Residus no polars" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -msgid "Basic Residues (+)" -msgstr "Residus bàsics (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Acidic Residues (-)" -msgstr "Residus acídics (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Uncharged Residues" -msgstr "Residus sense càrrega" - -#: org/jmol/popup/MainPopupResourceBundle.java:628 -msgid "Nucleic" -msgstr "Nucleic" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "DNA" -msgstr "ADN" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "RNA" -msgstr "ARN" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "Bases" -msgstr "Bases" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "AT pairs" -msgstr "Parelles AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "GC pairs" -msgstr "Parelles GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "AU pairs" -msgstr "Parelles AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:638 -msgid "All PDB \"HETATM\"" -msgstr "Tots els «HETATM» del PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -msgid "All Solvent" -msgstr "Tot el solvent" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "All Water" -msgstr "Tot l'aigua" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -msgid "Nonaqueous Solvent" -msgstr "Solvent no aquós" - -#: org/jmol/popup/MainPopupResourceBundle.java:643 -msgid "Nonaqueous HETATM" -msgstr "HETATM no aquosos" - -#: org/jmol/popup/MainPopupResourceBundle.java:644 -msgid "Ligand" -msgstr "Lligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Carbohydrate" -msgstr "Carbohidrat" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "None of the above" -msgstr "Cap dels anteriors" - -#: org/jmol/popup/MainPopupResourceBundle.java:650 -msgid "Style" -msgstr "Estil" - -#: org/jmol/popup/MainPopupResourceBundle.java:651 -msgid "Scheme" -msgstr "Esquema" - -#: org/jmol/popup/MainPopupResourceBundle.java:652 -msgid "CPK Spacefill" -msgstr "Esferes CPK" - -#: org/jmol/popup/MainPopupResourceBundle.java:653 -msgid "Ball and Stick" -msgstr "Boles i bastons" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Sticks" -msgstr "Bastons" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Wireframe" -msgstr "Filferro" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -#: org/jmol/popup/MainPopupResourceBundle.java:703 -#: org/jmol/popup/MainPopupResourceBundle.java:801 -msgid "Cartoon" -msgstr "Disseny" - -#: org/jmol/popup/MainPopupResourceBundle.java:657 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -#: org/jmol/popup/MainPopupResourceBundle.java:800 -msgid "Trace" -msgstr "Traç" - -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:753 -msgid "Atoms" -msgstr "Àtoms" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -#: org/jmol/popup/MainPopupResourceBundle.java:669 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#: org/jmol/popup/MainPopupResourceBundle.java:690 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#: org/jmol/popup/MainPopupResourceBundle.java:711 -#: org/jmol/popup/MainPopupResourceBundle.java:719 -#: org/jmol/popup/MainPopupResourceBundle.java:825 -#: org/jmol/popup/MainPopupResourceBundle.java:876 -#: org/jmol/popup/MainPopupResourceBundle.java:956 -msgid "Off" -msgstr "Desactivat" - -#: org/jmol/popup/MainPopupResourceBundle.java:661 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -#: org/jmol/popup/MainPopupResourceBundle.java:663 -#: org/jmol/popup/MainPopupResourceBundle.java:664 -#: org/jmol/popup/MainPopupResourceBundle.java:665 -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#: org/jmol/popup/MainPopupResourceBundle.java:795 -msgid "Bonds" -msgstr "Enllaços" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -#: org/jmol/popup/MainPopupResourceBundle.java:680 -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:712 -#: org/jmol/popup/MainPopupResourceBundle.java:720 -#: org/jmol/popup/MainPopupResourceBundle.java:824 -msgid "On" -msgstr "Activat" - -#: org/jmol/popup/MainPopupResourceBundle.java:671 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -#: org/jmol/popup/MainPopupResourceBundle.java:674 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:686 -#: org/jmol/popup/MainPopupResourceBundle.java:687 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#: org/jmol/popup/MainPopupResourceBundle.java:695 -#: org/jmol/popup/MainPopupResourceBundle.java:696 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:722 -#: org/jmol/popup/MainPopupResourceBundle.java:723 -#: org/jmol/popup/MainPopupResourceBundle.java:980 -#: org/jmol/popup/MainPopupResourceBundle.java:981 -#: org/jmol/popup/MainPopupResourceBundle.java:982 -#: org/jmol/popup/MainPopupResourceBundle.java:983 -#: org/jmol/popup/MainPopupResourceBundle.java:984 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:796 -msgid "Hydrogen Bonds" -msgstr "Enllaços d'hidrogen" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -msgid "Calculate" -msgstr "Calcula" - -#: org/jmol/popup/MainPopupResourceBundle.java:681 -msgid "Set H-Bonds Side Chain" -msgstr "Defineix els enllaços d'hidrogen de les cadenes laterals" - -#: org/jmol/popup/MainPopupResourceBundle.java:682 -msgid "Set H-Bonds Backbone" -msgstr "Defineix els enllaços d'hidrogen de l'esquelet" - -#: org/jmol/popup/MainPopupResourceBundle.java:689 -#: org/jmol/popup/MainPopupResourceBundle.java:797 -msgid "Disulfide Bonds" -msgstr "Enllaços disulfur" - -#: org/jmol/popup/MainPopupResourceBundle.java:692 -msgid "Set SS-Bonds Side Chain" -msgstr "Defineix els enllaços disulfur de les cadenes laterals" - -#: org/jmol/popup/MainPopupResourceBundle.java:693 -msgid "Set SS-Bonds Backbone" -msgstr "Defineix els enllaços disulfur de l'esquelet" - -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:798 -msgid "Structures" -msgstr "Estructures" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Cartoon Rockets" -msgstr "Disseny en coets" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -#: org/jmol/popup/MainPopupResourceBundle.java:802 -msgid "Ribbons" -msgstr "Cintes" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -#: org/jmol/popup/MainPopupResourceBundle.java:803 -msgid "Rockets" -msgstr "Coets" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -#: org/jmol/popup/MainPopupResourceBundle.java:804 -msgid "Strands" -msgstr "Cadenes" - -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Vibration" -msgstr "Vibració" - -#: org/jmol/popup/MainPopupResourceBundle.java:715 -#: org/jmol/popup/MainPopupResourceBundle.java:808 -msgid "Vectors" -msgstr "Vectors" - -#: org/jmol/popup/MainPopupResourceBundle.java:716 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:717 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:718 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:721 -#, java-format -msgid "{0} pixels" -msgstr "{0} píxels" - -#: org/jmol/popup/MainPopupResourceBundle.java:724 -#: org/jmol/popup/MainPopupResourceBundle.java:725 -#: org/jmol/popup/MainPopupResourceBundle.java:726 -#: org/jmol/popup/MainPopupResourceBundle.java:727 -#: org/jmol/popup/MainPopupResourceBundle.java:728 -#, java-format -msgid "Scale {0}" -msgstr "Escala {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:730 -msgid "Stereographic" -msgstr "Estereogràfic" - -#: org/jmol/popup/MainPopupResourceBundle.java:732 -msgid "Red+Cyan glasses" -msgstr "Ulleres roig+cian" - -#: org/jmol/popup/MainPopupResourceBundle.java:733 -msgid "Red+Blue glasses" -msgstr "Ulleres roig+blau" - -#: org/jmol/popup/MainPopupResourceBundle.java:734 -msgid "Red+Green glasses" -msgstr "Ulleres roig+verd" - -#: org/jmol/popup/MainPopupResourceBundle.java:735 -msgid "Cross-eyed viewing" -msgstr "Visió guenya" - -#: org/jmol/popup/MainPopupResourceBundle.java:736 -msgid "Wall-eyed viewing" -msgstr "Visió paral·lela" - -#: org/jmol/popup/MainPopupResourceBundle.java:738 -#: org/jmol/popup/MainPopupResourceBundle.java:805 -msgid "Labels" -msgstr "Etiquetes" - -#: org/jmol/popup/MainPopupResourceBundle.java:741 -msgid "With Element Symbol" -msgstr "Amb el símbol de l'element" - -#: org/jmol/popup/MainPopupResourceBundle.java:742 -msgid "With Atom Name" -msgstr "Amb el nom de l'àtom" - -#: org/jmol/popup/MainPopupResourceBundle.java:743 -msgid "With Atom Number" -msgstr "Amb el número de l'àtom" - -#: org/jmol/popup/MainPopupResourceBundle.java:745 -msgid "Position Label on Atom" -msgstr "Posició de l'etiqueta a l'àtom" - -#: org/jmol/popup/MainPopupResourceBundle.java:746 -msgid "Centered" -msgstr "Centrat" - -#: org/jmol/popup/MainPopupResourceBundle.java:747 -msgid "Upper Right" -msgstr "Marge superior dret" - -#: org/jmol/popup/MainPopupResourceBundle.java:748 -msgid "Lower Right" -msgstr "Marge inferior dret" - -#: org/jmol/popup/MainPopupResourceBundle.java:749 -msgid "Upper Left" -msgstr "Marge superior esquerre" - -#: org/jmol/popup/MainPopupResourceBundle.java:750 -msgid "Lower Left" -msgstr "Marge inferior esquerre" - -#: org/jmol/popup/MainPopupResourceBundle.java:752 -msgid "Color" -msgstr "Color" - -#: org/jmol/popup/MainPopupResourceBundle.java:755 -msgid "By Scheme" -msgstr "Per esquema" - -#: org/jmol/popup/MainPopupResourceBundle.java:756 -msgid "Element (CPK)" -msgstr "Element (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:757 -msgid "Alternative Location" -msgstr "Ubicació alternativa" - -#: org/jmol/popup/MainPopupResourceBundle.java:758 -msgid "Molecule" -msgstr "Molècula" - -#: org/jmol/popup/MainPopupResourceBundle.java:759 -msgid "Formal Charge" -msgstr "Càrrega formal" - -#: org/jmol/popup/MainPopupResourceBundle.java:760 -msgid "Partial Charge" -msgstr "Càrrega parcial" - -#: org/jmol/popup/MainPopupResourceBundle.java:761 -msgid "Temperature (Relative)" -msgstr "Temperatura (relativa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:762 -msgid "Temperature (Fixed)" -msgstr "Temperatura (fixada)" - -#: org/jmol/popup/MainPopupResourceBundle.java:764 -msgid "Amino Acid" -msgstr "Aminoàcid" - -#: org/jmol/popup/MainPopupResourceBundle.java:765 -msgid "Secondary Structure" -msgstr "Estructura secundària" - -#: org/jmol/popup/MainPopupResourceBundle.java:766 -msgid "Chain" -msgstr "Cadena" - -#: org/jmol/popup/MainPopupResourceBundle.java:767 -msgid "Group" -msgstr "Grup" - -#: org/jmol/popup/MainPopupResourceBundle.java:768 -msgid "Monomer" -msgstr "Monòmer" - -#: org/jmol/popup/MainPopupResourceBundle.java:769 -msgid "Shapely" -msgstr "Amb forma" - -#: org/jmol/popup/MainPopupResourceBundle.java:771 -msgid "Inherit" -msgstr "Hereta" - -#: org/jmol/popup/MainPopupResourceBundle.java:772 -msgid "Black" -msgstr "Negre" - -#: org/jmol/popup/MainPopupResourceBundle.java:773 -msgid "White" -msgstr "Blanc" - -#: org/jmol/popup/MainPopupResourceBundle.java:774 -msgid "Cyan" -msgstr "Cian" - -#: org/jmol/popup/MainPopupResourceBundle.java:776 -msgid "Red" -msgstr "Roig" - -#: org/jmol/popup/MainPopupResourceBundle.java:777 -msgid "Orange" -msgstr "Taronja" - -#: org/jmol/popup/MainPopupResourceBundle.java:778 -msgid "Yellow" -msgstr "Groc" - -#: org/jmol/popup/MainPopupResourceBundle.java:779 -msgid "Green" -msgstr "Verd" - -#: org/jmol/popup/MainPopupResourceBundle.java:780 -msgid "Blue" -msgstr "Blau" - -#: org/jmol/popup/MainPopupResourceBundle.java:781 -msgid "Indigo" -msgstr "Indi" - -#: org/jmol/popup/MainPopupResourceBundle.java:782 -msgid "Violet" -msgstr "Violeta" - -#: org/jmol/popup/MainPopupResourceBundle.java:784 -msgid "Salmon" -msgstr "Salmó" - -#: org/jmol/popup/MainPopupResourceBundle.java:785 -msgid "Olive" -msgstr "Oliva" - -#: org/jmol/popup/MainPopupResourceBundle.java:786 -msgid "Maroon" -msgstr "Granat" - -#: org/jmol/popup/MainPopupResourceBundle.java:787 -msgid "Gray" -msgstr "Gris" - -#: org/jmol/popup/MainPopupResourceBundle.java:788 -msgid "Slate Blue" -msgstr "Blau pissarra" - -#: org/jmol/popup/MainPopupResourceBundle.java:789 -msgid "Gold" -msgstr "Daurat" - -#: org/jmol/popup/MainPopupResourceBundle.java:790 -msgid "Orchid" -msgstr "Orquídia" - -#: org/jmol/popup/MainPopupResourceBundle.java:792 -#: org/jmol/popup/MainPopupResourceBundle.java:954 -msgid "Make Opaque" -msgstr "Fes opac" - -#: org/jmol/popup/MainPopupResourceBundle.java:793 -#: org/jmol/popup/MainPopupResourceBundle.java:955 -msgid "Make Translucent" -msgstr "Fes translúcid" - -#: org/jmol/popup/MainPopupResourceBundle.java:806 -msgid "Background" -msgstr "Fons" - -#: org/jmol/popup/MainPopupResourceBundle.java:807 -#: org/jmol/popup/MainPopupResourceBundle.java:945 -msgid "Surfaces" -msgstr "Superfícies" - -#: org/jmol/popup/MainPopupResourceBundle.java:809 -#: org/jmol/popup/MainPopupResourceBundle.java:966 -#: org/jmol/popup/MainPopupResourceBundle.java:992 -msgid "Axes" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:810 -#: org/jmol/popup/MainPopupResourceBundle.java:967 -#: org/jmol/popup/MainPopupResourceBundle.java:991 -msgid "Boundbox" -msgstr "Quadre" - -#: org/jmol/popup/MainPopupResourceBundle.java:811 -#: org/jmol/popup/MainPopupResourceBundle.java:942 -#: org/jmol/popup/MainPopupResourceBundle.java:968 -#: org/jmol/popup/MainPopupResourceBundle.java:993 -msgid "Unit cell" -msgstr "Cel·la unitat" - -#: org/jmol/popup/MainPopupResourceBundle.java:813 -msgid "Zoom" -msgstr "Zoom" - -#: org/jmol/popup/MainPopupResourceBundle.java:820 -msgid "Zoom In" -msgstr "Amplia" - -#: org/jmol/popup/MainPopupResourceBundle.java:821 -msgid "Zoom Out" -msgstr "Redueix" - -#: org/jmol/popup/MainPopupResourceBundle.java:823 -#: org/jmol/popup/MainPopupResourceBundle.java:888 -msgid "Spin" -msgstr "Rotació" - -#: org/jmol/popup/MainPopupResourceBundle.java:827 -msgid "Set X Rate" -msgstr "Defineix la velocitat X" - -#: org/jmol/popup/MainPopupResourceBundle.java:828 -msgid "Set Y Rate" -msgstr "Defineix la velocitat Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:829 -msgid "Set Z Rate" -msgstr "Defineix la velocitat Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:830 -#: org/jmol/popup/MainPopupResourceBundle.java:856 -msgid "Set FPS" -msgstr "Defineix els FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:840 -msgid "Animation" -msgstr "Animació" - -#: org/jmol/popup/MainPopupResourceBundle.java:841 -msgid "Animation Mode" -msgstr "Mode d'animació" - -#: org/jmol/popup/MainPopupResourceBundle.java:842 -msgid "Play Once" -msgstr "Reprodueix una vegada" - -#: org/jmol/popup/MainPopupResourceBundle.java:843 -msgid "Palindrome" -msgstr "Palíndrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:844 -msgid "Loop" -msgstr "En bucle" - -#: org/jmol/popup/MainPopupResourceBundle.java:846 -msgid "Play" -msgstr "Reprodueix" - -#: org/jmol/popup/MainPopupResourceBundle.java:849 -msgid "Stop" -msgstr "Atura" - -#: org/jmol/popup/MainPopupResourceBundle.java:850 -msgid "Next Frame" -msgstr "Següent fotograma" - -#: org/jmol/popup/MainPopupResourceBundle.java:851 -msgid "Previous Frame" -msgstr "Anterior fotograma" - -#: org/jmol/popup/MainPopupResourceBundle.java:852 -msgid "Rewind" -msgstr "Rebobina" - -#: org/jmol/popup/MainPopupResourceBundle.java:853 -msgid "Reverse" -msgstr "Reproducció inversa" - -#: org/jmol/popup/MainPopupResourceBundle.java:854 -msgid "Restart" -msgstr "Reinicia" - -#: org/jmol/popup/MainPopupResourceBundle.java:863 -#: org/jmol/popup/MainPopupResourceBundle.java:897 -msgid "Measurements" -msgstr "Mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:864 -msgid "Double-Click begins and ends all measurements" -msgstr "Amb doble clic es comença i acaba totes les mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:865 -msgid "Click for distance measurement" -msgstr "Feu clic per a mesurar la distància" - -#: org/jmol/popup/MainPopupResourceBundle.java:866 -msgid "Click for angle measurement" -msgstr "Feu clic per a mesurar l'angle" - -#: org/jmol/popup/MainPopupResourceBundle.java:867 -msgid "Click for torsion (dihedral) measurement" -msgstr "Feu clic per a mesurar la torsió (angle dihèdric)" - -#: org/jmol/popup/MainPopupResourceBundle.java:868 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:869 -msgid "Delete measurements" -msgstr "Suprimeix les mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:870 -msgid "List measurements" -msgstr "Llista les mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:871 -msgid "Distance units nanometers" -msgstr "Unitats de distància en nanòmetres" - -#: org/jmol/popup/MainPopupResourceBundle.java:872 -msgid "Distance units Angstroms" -msgstr "Unitats de distància en Angstroms" - -#: org/jmol/popup/MainPopupResourceBundle.java:873 -msgid "Distance units picometers" -msgstr "Unitats de distància en picòmetres" - -#: org/jmol/popup/MainPopupResourceBundle.java:875 -msgid "Set picking" -msgstr "Defineix la tria" - -#: org/jmol/popup/MainPopupResourceBundle.java:877 -msgid "Center" -msgstr "Centre" - -#: org/jmol/popup/MainPopupResourceBundle.java:879 -msgid "Identity" -msgstr "Identitat" - -#: org/jmol/popup/MainPopupResourceBundle.java:880 -msgid "Label" -msgstr "Etiqueta" - -#: org/jmol/popup/MainPopupResourceBundle.java:881 -msgid "Select atom" -msgstr "Selecciona un àtom" - -#: org/jmol/popup/MainPopupResourceBundle.java:882 -msgid "Select chain" -msgstr "Selecciona una cadena" - -#: org/jmol/popup/MainPopupResourceBundle.java:883 -msgid "Select element" -msgstr "Selecciona un element" - -#: org/jmol/popup/MainPopupResourceBundle.java:884 -msgid "Select group" -msgstr "Selecciona un grup" - -#: org/jmol/popup/MainPopupResourceBundle.java:885 -msgid "Select molecule" -msgstr "Selecciona una molècula" - -#: org/jmol/popup/MainPopupResourceBundle.java:886 -msgid "Select site" -msgstr "Selecciona un seti" - -#: org/jmol/popup/MainPopupResourceBundle.java:887 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:890 -msgid "Show" -msgstr "Mostra" - -#: org/jmol/popup/MainPopupResourceBundle.java:893 -msgid "File Contents" -msgstr "Continguts del fitxer" - -#: org/jmol/popup/MainPopupResourceBundle.java:894 -msgid "File Header" -msgstr "Capçalera del fitxer" - -#: org/jmol/popup/MainPopupResourceBundle.java:896 -msgid "Isosurface JVXL data" -msgstr "Dades JVXL d'isosuperfície" - -#: org/jmol/popup/MainPopupResourceBundle.java:898 -msgid "Molecular orbital JVXL data" -msgstr "Dades JVXL de l'orbital molecular" - -#: org/jmol/popup/MainPopupResourceBundle.java:899 -msgid "Model" -msgstr "Model" - -#: org/jmol/popup/MainPopupResourceBundle.java:900 -msgid "Orientation" -msgstr "Orientació" - -#: org/jmol/popup/MainPopupResourceBundle.java:901 -msgid "Space group" -msgstr "Grup espacial" - -#: org/jmol/popup/MainPopupResourceBundle.java:903 -msgid "Current state" -msgstr "Estat actual" - -#: org/jmol/popup/MainPopupResourceBundle.java:905 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:906 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:907 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:908 -msgid "Open file or URL" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:909 -msgid "Load full unit cell" -msgstr "Carrega la cel·la unitat sencera" - -#: org/jmol/popup/MainPopupResourceBundle.java:910 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:912 -#: org/jmol/viewer/OutputManager.java:652 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:913 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:914 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:915 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:916 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:917 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:918 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:919 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:920 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:922 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:923 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:924 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:925 -#: org/jmol/popup/MainPopupResourceBundle.java:926 -#: org/jmol/popup/MainPopupResourceBundle.java:927 -#: org/jmol/popup/MainPopupResourceBundle.java:928 -#: org/jmol/popup/MainPopupResourceBundle.java:929 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:930 -msgid "Save all as JMOL file (zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:931 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:932 -#: org/jmol/popup/MainPopupResourceBundle.java:933 -#: org/jmol/popup/MainPopupResourceBundle.java:934 -#: org/jmol/popup/MainPopupResourceBundle.java:935 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:937 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:938 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:939 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:943 -msgid "Extract MOL data" -msgstr "Extreu les dades MOL" - -#: org/jmol/popup/MainPopupResourceBundle.java:946 -msgid "Dot Surface" -msgstr "Superfície puntejada" - -#: org/jmol/popup/MainPopupResourceBundle.java:947 -msgid "van der Waals Surface" -msgstr "Superfície van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:948 -msgid "Molecular Surface" -msgstr "Superfície molecular" - -#: org/jmol/popup/MainPopupResourceBundle.java:949 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Superfície del solvent (sonda de {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:951 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Superfície accesible al solvent (VDW + {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:952 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:953 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:959 -#: org/jmol/popup/MainPopupResourceBundle.java:960 -#: org/jmol/popup/MainPopupResourceBundle.java:961 -#, java-format -msgid "Reload {0}" -msgstr "Recarrega {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:962 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Torna a carregar {0} + Mostra {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:963 -msgid "Reload + Polyhedra" -msgstr "Recàrrega + polihedres" - -#: org/jmol/popup/MainPopupResourceBundle.java:970 -msgid "Hide" -msgstr "Amaga" - -#: org/jmol/popup/MainPopupResourceBundle.java:971 -msgid "Dotted" -msgstr "Puntejat" - -#: org/jmol/popup/MainPopupResourceBundle.java:973 -msgid "Pixel Width" -msgstr "Amplada del píxel" - -#: org/jmol/popup/MainPopupResourceBundle.java:974 -#: org/jmol/popup/MainPopupResourceBundle.java:975 -#: org/jmol/popup/MainPopupResourceBundle.java:976 -#: org/jmol/popup/MainPopupResourceBundle.java:977 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:979 -msgid "Angstrom Width" -msgstr "Amplada de l'àngstrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:987 -msgid "Selection Halos" -msgstr "Selecció dels halos" - -#: org/jmol/popup/MainPopupResourceBundle.java:988 -msgid "Show Hydrogens" -msgstr "Mostra els hidrògens" - -#: org/jmol/popup/MainPopupResourceBundle.java:989 -msgid "Show Measurements" -msgstr "Mostra les mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:990 -msgid "Perspective Depth" -msgstr "Perspectiva en profunditat" - -#: org/jmol/popup/MainPopupResourceBundle.java:994 -msgid "RasMol Colors" -msgstr "Colors del RasMol" - -#: org/jmol/popup/MainPopupResourceBundle.java:995 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1348 -#: org/jmol/script/ScriptEvaluator.java:2922 -msgid "bad argument count" -msgstr "recompte incorrecte dels arguments" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1351 -#, java-format -msgid "invalid context for {0}" -msgstr "el testimoni d''expressió no és vàlid: {0}" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1354 -#: org/jmol/script/ScriptEvaluator.java:2949 -msgid "command expected" -msgstr "s'esperava una orde" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1357 -msgid "{ number number number } expected" -msgstr "s'esperava { nombre nombre nombre }" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1360 -#: org/jmol/script/ScriptEvaluator.java:2958 -msgid "unexpected end of script command" -msgstr "fi de l'orde de l'script no esperat" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1363 -msgid "end of expression expected" -msgstr "s'esperava la fi d'una expressió" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1366 -msgid "identifier or residue specification expected" -msgstr "s'esperava un identificador o una especifació de residu" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1369 -msgid "invalid atom specification" -msgstr "l'especificació d'àtom no és vàlida" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1372 -msgid "invalid chain specification" -msgstr "l'especificació de cadena no és vàlida" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1375 -#, java-format -msgid "invalid expression token: {0}" -msgstr "el testimoni d''expressió no és vàlid: {0}" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1378 -msgid "invalid model specification" -msgstr "l'especificació de model no és vàlida" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1381 -#, java-format -msgid "missing END for {0}" -msgstr "Manca END per a {0}" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1384 -#: org/jmol/script/ScriptEvaluator.java:3025 -msgid "number expected" -msgstr "s'esperava un nombre" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1387 -msgid "number or variable name expected" -msgstr "s'esperava un nombre o nom de variable" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1390 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "s'esperava una especificació de residu (ALA, AL?, A*)" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1393 -#, java-format -msgid "{0} expected" -msgstr "esperava {0}" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1396 -#, java-format -msgid "{0} unexpected" -msgstr "no esperava {0}" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1399 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "no es reconeix el testimoni de l''expressió: {0}" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1402 -#: org/jmol/script/ScriptEvaluator.java:3074 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "el paràmetre {0} no està reconegut" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1405 -#, java-format -msgid "unrecognized token: {0}" -msgstr "no es reconeix el testimoni: {0}" - -#: org/jmol/script/ScriptCompiler.java:2673 -msgid "script compiler ERROR: " -msgstr "Error del compilador script: " - -#: org/jmol/script/ScriptEvaluator.java:2762 -#: org/jmol/script/ScriptEvaluator.java:9339 -msgid "script ERROR: " -msgstr "Error de l'script: " - -#: org/jmol/script/ScriptEvaluator.java:2916 -msgid "x y z axis expected" -msgstr "s'esperava un eix x y z" - -#: org/jmol/script/ScriptEvaluator.java:2919 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "no es permet {0} amb el model de fons que es mostra" - -#: org/jmol/script/ScriptEvaluator.java:2925 -msgid "Miller indices cannot all be zero." -msgstr "Els índexs de Miller no poden ser tots zero." - -#: org/jmol/script/ScriptEvaluator.java:2928 -msgid "bad [R,G,B] color" -msgstr "el color [R,G,B] és incorrecte" - -#: org/jmol/script/ScriptEvaluator.java:2931 -msgid "boolean expected" -msgstr "s'esperava un booleà" - -#: org/jmol/script/ScriptEvaluator.java:2934 -msgid "boolean or number expected" -msgstr "s'esperava un booleà o un nombre" - -#: org/jmol/script/ScriptEvaluator.java:2937 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "s''esperava un boolea, un nombre o {0}" - -#: org/jmol/script/ScriptEvaluator.java:2940 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2943 -msgid "color expected" -msgstr "s'esperava un color" - -#: org/jmol/script/ScriptEvaluator.java:2946 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "cal un nom de color o de paleta (Jmol, Rasmol)" - -#: org/jmol/script/ScriptEvaluator.java:2952 -msgid "{x y z} or $name or (atom expression) required" -msgstr "cal {x y z}, $name o (expressió atòmica)" - -#: org/jmol/script/ScriptEvaluator.java:2955 -msgid "draw object not defined" -msgstr "l'objecte de dibuix no està definit" - -#: org/jmol/script/ScriptEvaluator.java:2961 -msgid "valid (atom expression) expected" -msgstr "s'esperava una (expressió atòmica) vàlida" - -#: org/jmol/script/ScriptEvaluator.java:2964 -msgid "(atom expression) or integer expected" -msgstr "s'esperava una (expressió atòmica) o un nombre enter" - -#: org/jmol/script/ScriptEvaluator.java:2967 -msgid "filename expected" -msgstr "s'esperava un nom de fitxer" - -#: org/jmol/script/ScriptEvaluator.java:2970 -msgid "file not found" -msgstr "no s'ha trobat el fitxer" - -#: org/jmol/script/ScriptEvaluator.java:2973 -msgid "incompatible arguments" -msgstr "arguments incompatibles" - -#: org/jmol/script/ScriptEvaluator.java:2976 -msgid "insufficient arguments" -msgstr "arguments insuficients" - -#: org/jmol/script/ScriptEvaluator.java:2979 -msgid "integer expected" -msgstr "s'esperava un enter" - -#: org/jmol/script/ScriptEvaluator.java:2982 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "l'enter està fora de l'abast ({0} - {1})" - -#: org/jmol/script/ScriptEvaluator.java:2985 -msgid "invalid argument" -msgstr "l'argument no és vàlid" - -#: org/jmol/script/ScriptEvaluator.java:2988 -msgid "invalid parameter order" -msgstr "odre dels paràmetres no vàlid" - -#: org/jmol/script/ScriptEvaluator.java:2991 -msgid "keyword expected" -msgstr "s'esperava una paraula clau" - -#: org/jmol/script/ScriptEvaluator.java:2994 -msgid "no MO coefficient data available" -msgstr "no hi ha dades del coeficient d'OM disponibles" - -#: org/jmol/script/ScriptEvaluator.java:2997 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "És necessari un índex d'OM d'1 a {0}" - -#: org/jmol/script/ScriptEvaluator.java:3000 -msgid "no MO basis/coefficient data available for this frame" -msgstr "no hi ha dades de base/coeficient d'OM per a este fotograma" - -#: org/jmol/script/ScriptEvaluator.java:3003 -msgid "no MO occupancy data available" -msgstr "no hi ha dades d'ocupació d'OM disponibles" - -#: org/jmol/script/ScriptEvaluator.java:3006 -msgid "Only one molecular orbital is available in this file" -msgstr "Només hi ha un orbital molecular disponible en este fitxer" - -#: org/jmol/script/ScriptEvaluator.java:3009 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "l''orde {0} requereix que només es mostre un model" - -#: org/jmol/script/ScriptEvaluator.java:3012 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3015 -msgid "No data available" -msgstr "no hi ha dades disponibles" - -#: org/jmol/script/ScriptEvaluator.java:3019 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"No s'han llegit les càrregues parcials del títol; el Jmol les necessita per " -"a rederitzar les dades d'EPM." - -#: org/jmol/script/ScriptEvaluator.java:3022 -msgid "No unit cell" -msgstr "No hi ha cap cel·la unitat" - -#: org/jmol/script/ScriptEvaluator.java:3028 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "el número ha de ser ({0} o {1})" - -#: org/jmol/script/ScriptEvaluator.java:3031 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "el nombre decimal està fora de l''abast ({0} - {1})" - -#: org/jmol/script/ScriptEvaluator.java:3034 -msgid "object name expected after '$'" -msgstr "s'esperava el nom de l'objectes després de '$'" - -#: org/jmol/script/ScriptEvaluator.java:3038 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"s''esperava un pla -- tres punts, unes expressions atòmiques, {0}, {1} o {2}" - -#: org/jmol/script/ScriptEvaluator.java:3041 -msgid "property name expected" -msgstr "s'esperava un nom de propietat" - -#: org/jmol/script/ScriptEvaluator.java:3044 -#, java-format -msgid "space group {0} was not found." -msgstr "no s''ha trobat el grup espacial {0}." - -#: org/jmol/script/ScriptEvaluator.java:3047 -msgid "quoted string expected" -msgstr "s'esperava una cadena entre cometes" - -#: org/jmol/script/ScriptEvaluator.java:3050 -msgid "quoted string or identifier expected" -msgstr "s'esperava una cadena entre cometes o un identificador" - -#: org/jmol/script/ScriptEvaluator.java:3053 -msgid "too many rotation points were specified" -msgstr "s'han especificat massa punts de rotació" - -#: org/jmol/script/ScriptEvaluator.java:3056 -msgid "too many script levels" -msgstr "masses nivells d'script" - -#: org/jmol/script/ScriptEvaluator.java:3059 -msgid "unrecognized atom property" -msgstr "no es reconeix la propietat de l'àtom" - -#: org/jmol/script/ScriptEvaluator.java:3062 -msgid "unrecognized bond property" -msgstr "no es reconeix la propietat de l'enllaç" - -#: org/jmol/script/ScriptEvaluator.java:3065 -msgid "unrecognized command" -msgstr "no es reconeix l'orde" - -#: org/jmol/script/ScriptEvaluator.java:3068 -msgid "runtime unrecognized expression" -msgstr "no es reconeix l'expressió d'execució" - -#: org/jmol/script/ScriptEvaluator.java:3071 -msgid "unrecognized object" -msgstr "no es reconeix l'objecte" - -#: org/jmol/script/ScriptEvaluator.java:3078 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" -"no es reconeix el paràmetre {0} a l'script d'estat del Jmol (es defineix " -"així de totes maneres)" - -#: org/jmol/script/ScriptEvaluator.java:3081 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "no es reconeix el paràmetre SHOW -- utilitzeu {0}" - -#: org/jmol/script/ScriptEvaluator.java:3087 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "què s'ha d'escriure? {0} o «nomdefitxer» {1}" - -#: org/jmol/script/ScriptEvaluator.java:5722 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:5724 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:7001 -#, java-format -msgid "{0} connections deleted" -msgstr "s''han suprimit {0} connexions" - -#: org/jmol/script/ScriptEvaluator.java:7013 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} enllaços nous; {1} modificats" - -#: org/jmol/script/ScriptEvaluator.java:8432 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:9492 -#: org/jmol/script/ScriptEvaluator.java:9675 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} àtoms suprimits" - -#: org/jmol/script/ScriptEvaluator.java:10323 -#: org/jmol/scriptext/ScriptExt.java:5711 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} enllaços d'hidrogen" - -#: org/jmol/scriptext/ScriptExt.java:5689 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/ScriptExt.java:5770 -#, java-format -msgid "{0} struts mp.added" -msgstr "" - -#: org/jmol/scriptext/ScriptExt.java:6073 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:80 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/viewer/ActionManager.java:340 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:344 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:346 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:350 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:351 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:354 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:356 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:357 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:360 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:363 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:366 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:368 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:370 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:372 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:374 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:376 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:378 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:380 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:387 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:390 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:393 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:396 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:398 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:399 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:401 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:403 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:404 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:409 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:410 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:413 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:415 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:418 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:420 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:423 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:430 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:433 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:435 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:437 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:439 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:445 -#, java-format -msgid "" -"click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:448 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:451 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:456 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:457 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:458 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:2072 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "trieu un o més àtoms per a fer girar el model al voltant d'un eix" - -#: org/jmol/viewer/ActionManager.java:2073 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "trieu dos àtoms per a fer girar el model al voltant d'un eix" - -#: org/jmol/viewer/ActionManager.java:2077 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:2079 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:654 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:655 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:710 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:712 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:95 -#: org/jmol/viewer/SelectionManager.java:104 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} àtoms amagats" - -#: org/jmol/viewer/SelectionManager.java:168 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} àtoms seleccionats" - -#: org/jmol/viewer/Viewer.java:4849 -msgid "Drag to move label" -msgstr "Arrossegueu per a moure l'etiqueta" - -#: org/jmol/viewer/Viewer.java:8730 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" -"el porta-retalls no és accessible -- utilitzeu una miniaplicació signada" - -#: org/jmol/viewer/Viewer.java:10098 -#, java-format -msgid "{0} hydrogens added" -msgstr "" diff --git a/qmpy/web/static/js/jsmol/idioma/cs.po b/qmpy/web/static/js/jsmol/idioma/cs.po deleted file mode 100644 index 1b98aa4a..00000000 --- a/qmpy/web/static/js/jsmol/idioma/cs.po +++ /dev/null @@ -1,2643 +0,0 @@ -# Jmol application. -# Copyright (C) 1998-2004 The Jmol Development Team -# This file is distributed under the same license as the Jmol package. -# Pavel Jakubů AUTHOR , 2007. -# translation homework under supervision of Martin Slavik, . -# -msgid "" -msgstr "" -"Project-Id-Version: Jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 23:44+0000\n" -"Last-Translator: Konki \n" -"Language-Team: Czech \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Country: CZECH REPUBLIC\n" -"X-Poedit-Language: Czech\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Prvek?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol skriptovací konzole" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Soubor" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Zavřít" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "Nápo&vÄ›da" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Hledej..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Příkazy" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Matematické &funkce" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Nastav ¶metry" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Více" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Editor" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Stav" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Spustit" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Vymaž výstup" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Vymaž vstup" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Historie" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Nahrát" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"stisknÄ›te CTRL-ENTER pro vložení nového řádku nebo vložte údaje o modelu a " -"stisknÄ›te Nahrát" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Zprávy se objeví zde. NapiÅ¡te příkazy do pole níže. KlepnÄ›te na tlaÄítko " -"NápovÄ›da v konzoli pro on-line nápovÄ›du, která se objeví v novém oknÄ› " -"prohlížeÄe." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol Skript Editor" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konzole" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Otevřít" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "ZepÅ™edu" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Skript" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Zkontrolovat" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Nahoru" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Krok" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pozastavit" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "PokraÄovat" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Zastavit" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Vymazat" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Zavřít" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Soubor nebo URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Typ obrázku" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG kvalita ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG komprese ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG kvalita ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Ano" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Ne" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Chcete pÅ™epsat soubor {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Varování" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "VÅ¡echny soubory" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "ZruÅ¡it" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "ZruÅ¡ výbÄ›r souboru" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Podrobnosti" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Složka" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "OtevÅ™i vybranou složku" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Vlastnosti" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "ZmÄ›nÄ›no" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Obecný soubor" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Název" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Název souboru:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Velikost" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Typy souborů" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Typ" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "NápovÄ›da" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "NápovÄ›da k výbÄ›ru souborů" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Domů" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Seznam" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Hledej v:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Chyba pÅ™i vytváření nové složky" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Nová složka" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "VytvoÅ™it novou složku" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Otevřít zvolený soubor" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Uložit" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Uložit vybraný soubor" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Ulož v:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Aktualizace" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Aktualizuj výpis složky" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Nahoru" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "O úroveň výše" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Náhled" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "PÅ™ipojené modely" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "PDB skica" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"POZNÃMKA: jsou uvedeny souÅ™adnice vodíků v amidovém skeletu, ale budou " -"ignorovány. Jejich souÅ™adnice budou aproximovány standardní DSSP analýzou.\n" -"Zvol {0} pokud nechceÅ¡ použít tuto aproximaci.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"POZNÃMKA: jsou uvedeny souÅ™adnice vodíků v amidovém skeletu a budou použity. " -"Výsledky se mohou významnÄ› liÅ¡it od standardní DSSP analýzy.\n" -"Zvol {0} pokud chceÅ¡ ignorovat uvedené souÅ™adnice vodíků.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "arabÅ¡tina" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "AsturÅ¡tina" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "ÃzerbájdžánÅ¡tina" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "BosenÅ¡tina" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "KatalánÅ¡tina" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "ÄŒeÅ¡tina" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "DánÅ¡tina" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "NÄ›mÄina" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "ŘeÄtina" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Australská angliÄtina" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Britská angliÄtina" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Americká angliÄtina" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Å panÄ›lÅ¡tina" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "EstonÅ¡tina" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "BaskiÄtina" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "FinÅ¡tina" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "FaerÅ¡tina" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "FrancouzÅ¡tina" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Fríština" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "GalÅ¡tina" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "ChorvatÅ¡tina" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "MaÄarÅ¡tina" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "ArménÅ¡tina" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonéština" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "ItalÅ¡tina" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "JaponÅ¡tina" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "JavánÅ¡tina" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "KorejÅ¡tina" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "MalajÅ¡tina" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "NorÅ¡tina Bokmal" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "NizozemÅ¡tina" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "OkcitánÅ¡tina" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "PolÅ¡tina" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "PortugalÅ¡tina" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Brazilská portugalÅ¡tina" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "RuÅ¡tina" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "SlovinÅ¡tina" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "SrbÅ¡tina" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Å védÅ¡tina" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "TamilÅ¡tina" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "TelugÅ¡tina" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "TureÄtina" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "UjgurÅ¡tina" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "UkrajinÅ¡tina" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "UzbeÄtina" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "ZjednoduÅ¡ená ÄínÅ¡tina" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "TradiÄní ÄínÅ¡tina" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Nemohu získat třídu pro silové pole {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Nejsou vybrány žádné atomy -- nic na práci!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomy budou minimalizovány." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "nemohu nastavit silové pole {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "nový" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "zpÄ›t (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "znovu (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "stÅ™ed" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "pÅ™idat vodíky" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimalizovat" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "fixovat vodíky a minimalizovat" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "vyÄistit" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "uložit soubor" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "uložit stav" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "invertovat stereochemii kruhu" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "smazat atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "táhnout pro spojení vazbou" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "táhnout atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "táhnout atom (a minimalizovat)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "táhnout a minimalizovat molekulu (dokování)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "zvýšit náboj" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "snížit náboj" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "smazat vazbu" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "jednoduchá" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "dvojitá" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "trojitá" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "zvýšit řád" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "snížit řád" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "rotovat vazbu (SHIFT-DRAG)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "ukonÄit modelovací mód" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Prostorová grupa" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Nic" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "VÅ¡e" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} procesor/y" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "celkem: {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "maximálnÄ›: {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol skriptovací konzole" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Návod pro myÅ¡ :-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Nastavení jazyka" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Systém" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Žádný atom nenahrán" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Konfigurace" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Prvek" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Model/snímek" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Jazyk" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Podle názvu substituentu" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Podle HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Molekulové orbitaly ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Symetrie" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Informace o modelu" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Vybrat ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "VÅ¡echny {0} modely" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Konfigurace ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Sbírka {0} modelů" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atomů: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "vazeb: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "skupin: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "Å™etÄ›zců: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polymerů: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "Model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Zobrazení {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Hlavní menu" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolekuly" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolekula {0} ({1} atomů)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "nahraj biomolekulu {0} ({1} atomů)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Nic" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Zobrazit pouze vybrané" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Obrátit výbÄ›r" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Pohled" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "ZepÅ™edu" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Zleva" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Zprava" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Shora" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Zespoda" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Zezadu" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Osy" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Osy" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Osy" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Osy" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Osy" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Osy" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Bílkovina" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Skelet" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Postranní Å™etÄ›zce" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Polární substituenty" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Nepolární substituenty" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Zásadité substituenty (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Kyselé substituenty (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Neutrální substituenty" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nukleový" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Báze" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT páry" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC páry" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU páry" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Sekundární struktura" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "VÅ¡echny PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "VÅ¡echna rozpouÅ¡tÄ›dla" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "vÄetnÄ› molekulové vody" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Nevodné rozpouÅ¡tÄ›dlo" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "Nevodné HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Sacharid" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Nic z výše uvedeného" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Vzhled" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Schéma" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "Kalotový model (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "KuliÄky a tyÄinky" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "TyÄinky" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Drátový model" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Skica (Cartoon)" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Trace (Stopa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomy" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Vypnout" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Vazby" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Zapnout" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Vodíkové můstky" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "VypoÄítat" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Ukázat vodíkové můstky v postranním Å™etÄ›zci" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Ukázat vodíkové můstky v hlavním Å™etÄ›zci" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Disulfidové můstky" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Ukázat disulfidové můstky v postranním Å™etÄ›zci" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Ukázat disulfidové můstky v hlavním Å™etÄ›zci" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Struktury" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Skica s raketami (Cartoon Rockets)" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Stužky (Ribbons)" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Rakety (Rockets)" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Vlákna (Strands)" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibrace" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektory" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Spektra" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pixelů" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Měřítko {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereografie" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "ÄŒervené + tyrkysové brýle" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "ÄŒervené + modré brýle" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "ÄŒervené + zelené brýle" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Cross-eyed (konvergentnÄ›)" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Wall-eyed (divergentnÄ›)" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Popisky" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "symboly prvků" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "symboly s Äísly atomů" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "oÄíslované atomy" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Umístit popisek k atomu" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "VystÅ™edit" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Vpravo nahoÅ™e" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Vpravo dole" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Vlevo nahoÅ™e" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Vlevo dole" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Barvy" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Dle schématu" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Prvek (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Volitelné umístÄ›ní" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molekula" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Formální náboj" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "ČásteÄný náboj" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Teplota (Relativní)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Teplota (Konstantní)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminokyselina" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "ŘetÄ›zec" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Skupina" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Shapely" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "DÄ›dit (Inherit)" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "ÄŒerná" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Bílá" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Modrozelená" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "ÄŒervená" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Oranžová" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Žlutá" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Zelená" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Modrá" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigová" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Fialová" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Lososová" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Olivová" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "KaÅ¡tanová" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Å edá" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "SvÄ›tle modrá" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Zlatá" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orchidejová" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Zneprůhlednit" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Zprůsvitnit" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Pozadí" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Povrchy" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Osy" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "HraniÄní box" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Elementární buňka" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Lupa" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "PÅ™iblížit" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Oddálit" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Rotace" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Nastavit rychlost rotace kolem osy X" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Nastavit rychlost rotace kolem osy Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Nastavit rychlost rotace kolem osy Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Nastavit FPS (poÄet snímků za sekundu)" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animace" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Typ animace" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "PÅ™ehrát 1×" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "PÅ™ehrávat dokola" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "PÅ™ehrát" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Zastavit" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Další snímek" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "PÅ™edchozí snímek" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "PÅ™evinout zpÄ›t" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "PÅ™ehrát pozpátku" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Spustit znovu" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Měření" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Dvojklik zahajuje a ukonÄí vÅ¡echna měření" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Klepnout pro změření vzdálenosti" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Klepnout pro změření úhlu" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Klepnout pro změření torze" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "KlepnÄ›te na dva atomy pro zobrazení sekvence v konzoli" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Vymazat výsledky měření" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Naměřené hodnoty" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "nm (1 nm = 1E-9 m)" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Ã… (1 Ã… = 1E-10 m)" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "pm (1 pm = 1E-12 m)" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Nastavit oznaÄování" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "StÅ™ed" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identita" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Popisek" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Vybrat atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Vybrat Å™etÄ›zec" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Vybrat prvek" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "ukonÄit modelovací mód" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Vybrat skupinu" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Vybrat molekulu" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Vybrat vazné místo" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Zobraz operace symetrie" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Ukázat" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol skriptovací konzole" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Obsah souboru" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Záhlaví souboru" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Izopovrchová JVXL data" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Molekulární orbital typu JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Model" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientace" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Prostorová grupa" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "SouÄasný stav" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Soubor" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Obnovit" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Otevřít z PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Otevřít zvolený soubor" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Otevřít" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "NaÄti úplnou elementární buňku" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Otevřít skript" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Uložit kopii {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Uložit skript se stavem" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Uložit skript s historií" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Exportovat obrázek {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Uložit vÅ¡e jako JMOL soubor (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Uložit JVXL isopovrch" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Exportovat {0} 3D model" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "VýpoÄty" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimalizovat strukturu" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Modelování" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Extrahovat MOL data" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "TeÄkovaný povrch" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "van der Waalsův povrch" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Molekulární povrch" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Povrch pro rozpouÅ¡tÄ›dlo (průmÄ›r sondy {0} Ã…)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Povrch přístupný rozpouÅ¡tÄ›dlu (VDW + {0} Ã…)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Znovu naÄíst {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "NaÄti {0} + Zobraz {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "NaÄti + Polyhedra (mnohostÄ›ny)" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Skrýt" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "TeÄkovanÄ›" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Šířka v pixelech" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Šířka v Ã…ngstrémech" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Zvýraznit výbÄ›r (halo)" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Ukázat vodíky" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Ukázat výsledky měření" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Hloubka perspektivy" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol barvy" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "O aplikaci..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "Chyba kompilátoru skriptu ERROR: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "oÄekávány osy x y z" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} není povoleno se zobrazeným modelem v pozadí" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "Å¡patnÄ› spoÄítaný argument" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "vÅ¡echny Millerovy indexy nemohou být rovny nule" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "Å¡patné [R,G,B] barvy" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "oÄekáván booleovský parametr" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "oÄekáván booleovský parametr nebo Äíslo" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "oÄekáván booleovský parametr, Äíslo nebo {0}" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "nelze nastavit hodnotu" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "oÄekávána barva" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "je nutné zadání barvy nebo sady barev (Jmol, Rasmol)" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "oÄekáván příkaz" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} nebo $name nebo (oznaÄení atomů) požadováno" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "nakreslený objekt není definován" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "neoÄekávaný konec skriptovacího příkazu" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "oÄekáváno platné oznaÄení atomu" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "oÄekáváno oznaÄení atomu nebo celé Äíslo" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "oÄekáván název souboru" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "soubor nenalezen" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "nesluÄitelné argumenty" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "nedostateÄné argumenty" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "oÄekáváno celé Äíslo" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "celé Äíslo mimo interval ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "neplatný argument" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "neplatný parametrový příkaz" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "oÄekáváno klíÄové slovo" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "MO koeficienty nejsou dostupné" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "MO index je požadován od 1 do {0}" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "žádné MO báze/koeficienty dostupné pro tento snímek" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "žádná data o obsazení MO dostupná" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Pouze jeden molekulární orbital je dostupný pro tento soubor" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} vyžaduje zobrazení pouze jednoho modelu" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} vyžaduje naÄtení pouze jediného modelu" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Žádná data nejsou dostupná" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"NenaÄteny žádné parciální náboje ze souboru; Jmol je potÅ™ebuje pro " -"poskytutí MEP dat." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Žádná elementární buňka" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "oÄekáváno Äíslo" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "Äíslo musí být ({0} nebo {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "desetinné Äíslo neleží v intervalu ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "oÄekáván název objektu po '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"oÄekávána rovina -- buÄ tÅ™i body nebo oznaÄení atomů nebo {0} nebo {1} nebo " -"{2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "oÄekáván název vlastnosti" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "nenalezená prostorová grupa: {0}" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "oÄekáván citovaný Å™etÄ›zec" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "oÄekáván citovaný Å™etÄ›zec nebo identifikátor" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "příliÅ¡ mnoho specifikovaných bodů rotace" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "příliÅ¡ mnoho úrovní skriptů" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "neznámá vlastnost atomu" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "nerozpoznaná vlastnost vazby" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "neznámý příkaz" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "neznámý výraz (oznaÄení) v průbÄ›hu programu" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "neznámý objekt" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "neznámý parametr: {0}" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "nerozpoznaný {0} parameter v Jmol stavovém skriptu (pÅ™esto nastavený)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "nerozpoznaný SHOW parametr -- použij {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "Co zapsat? {0} nebo {1} \"název souboru\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "Chyba skriptu ERROR: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atomů smazáno" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} vodíkových můstků" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "soubor {0} vytvoÅ™en" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "chybný kontext pro {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "oÄekáváno { number number number }" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "oÄekáván konec příkazu" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "oÄekáván identifikátor nebo specifikace zbytku" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "chybná specifikace atomu" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "chybná specifikace Å™etÄ›zce" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "chybný token výrazu: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "chybná specifikace modelu" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "chybí END pro {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "oÄekáváno Äíslo nebo jméno promÄ›nné" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "oÄekávána specifikace zbytku (ALA, AL?, A*)" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} oÄekávána" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} neoÄekávána" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "nerozpoznaný token výrazu: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "nerozpoznaný token: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} podpÄ›r (struts) pÅ™idáno" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "vymazaná spojení: {0}" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} nových vazeb; {1} zmÄ›nÄ›ných" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Poznámka: Tento kontakt zahrnuje více než jeden model!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "KliknÄ›te pro menu..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Aplet verze {0} {1}.\n" -"\n" -"Open Science projekt.\n" -"\n" -"Pro více informací navÅ¡tivte http://www.jmol.org" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Chyba souboru:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "pÅ™iÅ™adit/nový atom nebo vazbu (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "zobraz poslední vyskakovací kontextové menu (klepni na Jmol frank)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "smazat atom (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "samž vazby (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "nastav tlouÅ¡Å¥ku (zadní rovina; vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "pÅ™esunout atom (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "pÅ™esuň celý DRAW objekt (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "pÅ™esunout specifický DRAW bod ( vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "pÅ™esunout oznaÄení (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "pÅ™esunout atom a minimalizovat molekulu (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "pÅ™esunout a minimalizovat molekulu (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "pÅ™esunout vybrané atomy ( vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "táhnout atomy ve smÄ›ru osy Z (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simulovat multi-touch pomocí myÅ¡i" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "pÅ™esuň navigaÄní body (vyžaduje {0} a {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "vybrat atom" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "spoj atomy (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "vybrat ISOSURFACE bod (vyžaduje {0}" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "vybrat popisek pro skrytí/zobrazení (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"vyber atom, který chceÅ¡ zahrnout do měření (po zahájení měření nebo po {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "vybrat bod nebo atom ke kterému navigovat (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "vybrat DRAW bod (pro měření) (vyžaduje {0}" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "zobraz úplné vyskakovací kontextové menu" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "obnovit (po klepnutí mimo model)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "otoÄit" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "rotovat Å™etÄ›zec kolem vazby (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "otoÄit vybrané atomy (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "Z otáÄení" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"Z otáÄení (horizontální pohyb myÅ¡i) nebo pÅ™iblížení (vertikální pohyb myÅ¡i)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "vybrat atom (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "vyber a táhni atomy (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "zruÅ¡it výbÄ›r skupiny atomů (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "vybrat NONE (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "pÅ™idej tuto skupinu atomů k již vybraným atomům (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "obrátit výbÄ›r (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"jestliže jsou vÅ¡echny vybrány, zruÅ¡ výbÄ›r, nebo pÅ™idej tuto skupinu atomů k " -"již vybraným atomům (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "vyber atom pro zahájení nebo ukonÄení měření" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "nastav desku/slab (pÅ™ední rovina; vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "pÅ™esuň okno s deskou/tlouÅ¡Å¥kou (obÄ› roviny; vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "pÅ™iblížení (podél pravého okraje okna)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"klepnout na dva body pro otoÄení kolem osy proti smÄ›ru hodinových ruÄiÄek " -"(vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"klepnout na dva body pro otoÄení kolem osy po smÄ›ru hodinových ruÄiÄek " -"(vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "zastav pohyb (vyžaduje {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "otáÄej model (klepni a pusÅ¥ tlaÄítko a souÄasnÄ› zastav pohyb)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "pÅ™eložit" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "ZvÄ›tÅ¡ení" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "vybrat jeden Äi více atomů k rotaci okolo osy" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "vybrat dva atomy k rotaci okolo osy" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "vyber jeden nebo více atomů pro zobrazení vzájemné symetrie" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "vyber dva atomy pro zobrazení jejich vzájemné symetrie" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Nastavuji log soubor na {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Nemohu nastavit cestu k log souboru." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "skryté atomy: {0}" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atomů vybráno" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Táhni myší pro pÅ™esun popisku" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "schránka není přístupná -- použijte podepsaný applet" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} vodíky pÅ™idány" - -#~ msgid "Hide Symmetry" -#~ msgstr "Skryj symetrii" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Nahrávám Jmol aplet..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} sekund" - -#~ msgid "Java version:" -#~ msgstr "Verze Javy:" - -#~ msgid "1 processor" -#~ msgstr "1 procesor" - -#~ msgid "unknown processor count" -#~ msgstr "neznámý poÄet procesorů" - -#~ msgid "Java memory usage:" -#~ msgstr "Využití pamÄ›ti Javy:" - -#~ msgid "{0} MB free" -#~ msgstr "volných: {0} MB" - -#~ msgid "unknown maximum" -#~ msgstr "neznámé maximum" - -#~ msgid "Open file or URL" -#~ msgstr "Otevřít soubor nebo URL" diff --git a/qmpy/web/static/js/jsmol/idioma/da.po b/qmpy/web/static/js/jsmol/idioma/da.po deleted file mode 100644 index 46b15dda..00000000 --- a/qmpy/web/static/js/jsmol/idioma/da.po +++ /dev/null @@ -1,2636 +0,0 @@ -# Danish translation for jmol -# Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2008. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 23:44+0000\n" -"Last-Translator: Kaki \n" -"Language-Team: Danish \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Grundstof?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol-scriptkonsol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Fil" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Luk" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Hjælp" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Søg..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Kommandoer" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Matematik&funktioner" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Indstil ¶metre" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Mere" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Redigering" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Tilstand" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Kør" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Ryd output" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Ryd input" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Historik" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Indlæs" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "tryk CTRL-ENTER for ny linje eller indsæt modeldata og tryk Indlæs" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Beskeder vil blive vist her. Indtast kommandoer i boksen nedenfor. Klik " -"konsollens menupunkt Hjælp for at fÃ¥ hjælp pÃ¥ nettet - denne vil dukke op i " -"et nyt browservindue." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol-scriptredigering" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konsol" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Ã…ben" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Forside" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Script" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Tjek" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Toppen" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Trin" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pause" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Genoptag" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Stop" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Ryd" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Luk" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "File eller URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Billedtype" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG-kvalitet ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG-komprimering ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG-kvalitet ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Ja" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Nej" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Ønsker du at overskrive filen {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Advarsel" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Alle filer" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Annuller" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Om filvælgerdialogen" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Detaljer" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Katalog" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Ã…ben den valgte mappe" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Attributter" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Ændret" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Generisk fil" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Navn" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Filnavn:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Størrelse" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Filer af type:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Type" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Hjælp" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Hjælp til filvælger" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Hjem" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Liste" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Se i:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Fejl ved oprettelse af ny mappe" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Ny mappe" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Opret ny mappe" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Ã…bn den valgte fil" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Gem" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Gem den valgte fil" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Gem i:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Opdatér" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Opdater mappeoversigt" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Op" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Et niveau op" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "ForhÃ¥ndsvisning" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Vedhæft modeller" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "PDB tegneserier" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"BEMÆRK: Hydrogenpositioner pÃ¥ amid-rygraden er til stede og vil blive " -"ignoreret. Deres positioner vil blive tilnærmet som i sædvanlig DSSP-" -"analyse.\n" -"Brug {0} for at undlade at bruge denne tilnærmelse.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"BEMÆRK: Hydrogenpositioner pÃ¥ amid-rygraden er til stede og vil blive brugt. " -"Resultaterne kan være betydeligt forskellige fra sædvanlig DSSP-analyse.\n" -"Brug {0} for at ignorere disse hydrogenpositioner.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arabisk" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturisk" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "Azerbaijansk" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosnisk" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Catalansk" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Tjekkisk" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Dansk" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Tysk" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Græsk" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Australsk-engelsk" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Britisk engelsk" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Amerikansk engelsk" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Spansk" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estisk" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "Baskisk" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finsk" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Færøsk" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Fransk" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Frisisk" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "Gælisk" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "kroatisk" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Ungarsk" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armensk" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesisk" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italiensk" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japansk" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Javanesisk" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Koreansk" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Malay" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norsk (bokmÃ¥l)" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Hollandsk" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitansk" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polsk" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugisisk" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Brasiliansk portugisisk" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Russisk" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Slovensk" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbisk" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Svensk" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Tyrkisk" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uyghur" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukrainsk" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "Uzbekisk" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Forenklet kinesisk" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Traditionel kinesisk" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Kunne ikke indhente klasse for kraftfelt {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Ingen atomer valgt -- intet at gøre!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomer vil blive minimeret." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "kunne ikke sætte kraftfeltet {0} op" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "ny" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "fortryd (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "omgør (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "centrér" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "tilføj hydrogener" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimer" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "fastlÃ¥s hydrogener og minimer" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "ryd" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "gem fil" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "gem tilstand" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "omvend ring-stereokemi" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "slet atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "træk for at binde" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "træk atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "træk atom (og minimer)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "træk og minimer molekyle (dokning)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "forøg ladning" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "formindsk ladning" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "slet binding" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "enkelt" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "dobbelt" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "tripel" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "forøg orden" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "formindsk orden" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "roter binding (SKIFT-TRÆK)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "afslut modelkit-tilstand" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Rumgruppe" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Ingen" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Alle" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} processorer" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB i alt" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB maksimum" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol-scriptkonsol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Musemanual" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Oversættelser" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "System" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Ingen atomer indlæst" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Konfigurationer" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Element" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Model/billede" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Sprog" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Efter residuumnavn" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Efter HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Molekylorbitaler ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Symmetri" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Modelinformation" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Vælg ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Alle {0} modeller" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Konfiguration ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Samling af {0} modeller" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atomer: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "bindinger: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "grupper: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "kæder: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polymerer: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Vis {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Hovedmenu" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolekyler" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolekyle {0} ({1} atomer)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "indlæs biomolekyle {0} ({1} atomer)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Ingen" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Vis kun de valgte" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Omvend markering" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Vis" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Forside" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Venstre" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Højre" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Set oppefra" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Bund" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Tilbage" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Protein" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Rygrad" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Sidekæder" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Polære residier" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Ikke-polære residier" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Basiske residier (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Sure residier (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Ikke-ladede residier" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nuklein" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Baser" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT-par" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC-par" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU-par" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Sekundær struktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Alle PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Kun opløsningsmiddel" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Kun vand" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Ikke-vandigt opløsningsmiddel" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "Ikke-vandig HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Kulhydrat" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Ingen af ovenstÃ¥ende" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Stil" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Skema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK-rumfyldning" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Kugle og pind" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Pinde" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "StÃ¥ltrÃ¥dsramme" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Tegneserie" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Spor" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Fra" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Bindinger" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Til" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Hydrogenbindinger" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Beregn" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Indstil H-bindingers sidekæder" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Indstil H-bindingers rygrad" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Disulfidbindinger" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Indstil SS-bindingers sidekæder" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Indstil SS-bindingers rygrad" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Strukturer" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Tegneserieraketter" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "BÃ¥nd" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Raketter" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Strenge" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibration" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektorer" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Spektre" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pixels" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Skalér {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereografisk" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Rød/cyan-briller" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Rød/blÃ¥-briller" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Rød/grøn-briller" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Skeløjet metode" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Paralleløjet metode" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Etiketter" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Med grundstofsymbol" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Med atomnavn" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Med atomnummer" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Placer etiket ved atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Centreret" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Øverst til højre" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Nederst til højre" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Øverst til venstre" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Nederst til venstre" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Farve" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Efter skema" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Grundstof (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Alternativ placering" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molekyle" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Formel ladning" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Delvis ladning" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Temperatur (relativ)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Temperatur (fastlÃ¥st)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminosyre" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Kæde" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Gruppe" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Velformet" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Nedarv" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Sort" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Hvid" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Cyan" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Rød" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Orange" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Gul" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Grøn" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "BlÃ¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violet" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Laksefarvet" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Olivenfarvet" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Rødbrun" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "GrÃ¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "SkifferblÃ¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Guld" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orkidé" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Gør ugennemsigtig" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Gør gennemsigtigt" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Baggrund" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Overflader" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Afgrænsningsboks" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Enhedscelle" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Zoom" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Zoom ind" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Zoom ud" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Rotation" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Indstil X-rate" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Indstil Y-rate" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Indstil Z-rate" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Indstil FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animation" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Animationstilstand" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Afspil en gang" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Løkke" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Afspil" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Stop" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Næste billede" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Forrige billede" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Spol tilbage" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Baglæns" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Genstart" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "MÃ¥linger" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Dobbeltklik starter og slutter alle mÃ¥linger" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Klik for afstandsmÃ¥ling" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Klik for vinkelmÃ¥ling" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Klik for torsionsmÃ¥ling (dihedral)" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Klik pÃ¥ to atomer for at vise en sekvens i konsollen" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Slet mÃ¥linger" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Vis mÃ¥linger" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Aftstandsenhed nanometre" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Afstandsenhed Ã…ngstrøm" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Afstandsenhed pikometre" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Indstil udvælgelse" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Center" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identitet" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Etiket" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Vælg atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Vælg kæde" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Vælg element" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "afslut modelkit-tilstand" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Vælg gruppe" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Vælg molekyle" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Vælg sted" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Vis symmetrioperationer" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Vis" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol-scriptkonsol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Filindhold" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Filhoved" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "JVXL-data til isooverflade" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "JVXL-data til molekylær orbital" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Model" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Retning" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Rumgruppe" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Nuværende tilstand" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Fil" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Genindlæs" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Ã…bn fra PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Ã…bn den valgte fil" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Ã…ben" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Indlæs hele enhedscellen" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Ã…bn script" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Gem en kopi af {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Gem script med tilstand" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Gem script med historik" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Eksporter {0}-billede" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Gem alle som en JMOL-fil (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Gem JVXL-isooverflade" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Eksporter {0}-3D-model" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Beregning" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimer struktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Modelkit" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Udtræk MOL-data" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Prikoverflade" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "van Der Waals-overflade" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Molekylæroverflade" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Opløsningsmiddeloverflade ({0}-Ã…ngström probe)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Opløsningsmiddel-tilgængelig overflade (VDW + {0} Ã…ngström)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Genindlæs {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Genindlæs {0} + vis {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Genindlæs + polyeder" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Skjul" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Punkteret" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Pixelbredde" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Ã…ngström-bredde" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Markeringsfremhævning" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Vis hydrogen" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Vis mÃ¥linger" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Perspektivdybde" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol-farver" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Om..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "scriptkompileringsFEJL: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "forventede x y z-akser" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} er ikke tilladt med baggrundsmodellen vist" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "forkert antal argumenter" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Miller-indeks kan ikke alle være nul." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "ugyldig [R,G,B]-farve" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "forventede boolesk variabel" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "forventede boolesk variabel eller tal" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "forventede boolesk variabel, tal eller {0}" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "Kan ikke fastsætte værdi" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "forventede farve" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "et farve- eller palet-navn (Jmol, Rasmol) er pÃ¥krævet" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "forventede kommando" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} eller $name eller (atomudtryk) kræves" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "tegneobjekt ikke defineret" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "uventet afslutning af script-kommando" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "gyldigt (atomudtryk) forventet" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "(atomudtryk) eller heltal forventet" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "forventede filnavn" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "fil ikke fundet" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "inkompatible argumenter" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "utilstrækkelige argumenter" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "heltal forventet" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "heltal uden for interval ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "ugyldigt argument" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "ugyldig rækkefølge af parametre" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "forventede nøgleord" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "ingen tilgængelige data for MO-koefficienter" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "Der kræves et MO-indeks fra 1 til {0}" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "ingen tilgængelige data for MO-basis/koefficenter for dette billede" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "ingen tilgængelige MO-okkupationsdata" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Kun en enkelt molekylærbital er tilgængelig i denne fil" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} kræver at kun en model vises" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} kræver at kun en model indlæses" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Ingen data tilgængelige" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Ingen delvise ladninger blev læst fra filen; Jmol kræver disse for at tegne " -"MEP-dataene." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Ingen enhedscelle" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "nummer forventet" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "nummer skal være ({0} eller {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "decimaltal uden for interval ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "objektnavn forventet efter \"$\"" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"plan forventet -- enten tre punkter eller atomudtryk eller {0} eller {1} " -"eller {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "egenskabsnavn forventet" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "rumgruppen {0} blev ikke fundet." - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "streng i anførselstegn forventet" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "streng i anførselstegn eller variabelnavn forventet" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "der blev angivet for mange rotationspunkter" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "for mange scriptniveauer" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "ukendt atomegenskab" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "ukendt bindingsegenskab" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "ukendt kommando" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "ukendt udtryk ved kørsel" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "ukendt objekt" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "ukendt {0}-parameter" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "ukendt {0}-parameter i Jmol-tilstandsscript (tildelt alligevel)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "ukendt SHOW-parameter -- brug {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "skriv hvad? {0} eller {1} \"filnavn\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "scriptFEJL: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atomer slettet" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} hydrogenbindinger" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "filen {0} dannet" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "ugyldig kontekst for {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "forventede { nummer nummer nummer }" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "forventede afslutning pÃ¥ udtryk" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "forventede identifikator eller residuum" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "ugyldig atomspecifikation" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "ugyldig kædespecifikation" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "ugyldigt udtrykssymbol: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "ugyldig modelspecifikation" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "mangler END til {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "forventede tal eller variabelnavn" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "forventede residuumspecifikation (ALA, AL?, A*)" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "forventede {0}" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} ikke forventet" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "ukendt udtrykssymbol: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "ukendt symbol: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} afstivere tilføjet" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} forbindelser slettet" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} nye bindinger; {1} ændrede" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Bemærk: Der er mere end en model i denne kontakt!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Klik for menu..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet version {0} {1}.\n" -"\n" -"Et OpenScience-projekt.\n" -"\n" -"Se http://www.jmol.org for mere information" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Filfejl:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "tildel/opret atom eller binding (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "pop den seneste kontekstmenu op (klik pÃ¥ Jmol-mærket)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "slet atom (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "slet binding (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "juster dybde (bagerste plan; kræver {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "flyt atom (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "flyt hele DRAW-objekt (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "flyt specifikt DRAW-punkt (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "flyt etiket (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "flyt atom og minimer molekyle (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "flyt og minimer molekyle (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "flyt valgte atomer (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "træk atomerne i Z retning (requires {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simuler multiberøring ved hjælp af musen)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "parallelforskyd navigationspunkt (kræver {0} og {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "vælg et atom" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "forbind atomer (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "vælg et ISOSURFACE-punkt (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "vælg en etiket for at skifte den mellem skjult/vist (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"vælg et atom for at inkludere det i en mÃ¥ling (efter at have startet en " -"mÃ¥ling eller efter {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "vælg et punkt eller atom at navigere til (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "vælg et DRAW-punkt (til mÃ¥linger) (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "pop den fulde kontekstmenu op" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "nulstil (nÃ¥r der klikkes uden for modellen)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "rotér" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "roter gren rundt om binding (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "roter valgte atomer (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "rotér Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"rotér Z (vandret bevægelse af musen) eller zoom (lodret bevægelse af musen)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "vælg et atom (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "vælg og træk atomer (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "fravælg denne gruppe af atomer (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "vælg INGEN (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "tilføj denne gruppe atomer til sættet af valgte atomer (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "omvend udvalg (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"hvis alle er valgt, sÃ¥ fravælg alle, ellers tilføj denne gruppe af atomer " -"til sættet af valgte atomer (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "vælg et atom for at starte eller afslutte en mÃ¥ling" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "juster plade (slab) (forreste plan; kræver {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "flyt plade (slab)/dybde-vindue (begge planer; kræver {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "zoom (langs højre vindueskant)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "klik pÃ¥ to punkter for at rotere rundt om akse mod uret (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "klik pÃ¥ to punkter for at rotere rundt om akse med uret (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "stop bevægelse (kræver {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "rotér model (stryg og slip knap og stop bevægelse samtidig)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "parallelforskyd" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "zoom" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "vælg et atom mere for at rotere modellen rundt om en akse" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "vælg to atomer for at rotere modellen rundt om en akse" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "vælg et atom mere for at vise symmetriforhold" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "vælg to atomer for at vise symmetriforholdet mellem dem" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Sætter logfil til {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Kan ikke indstille sti til logfil." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} atomer gemt" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atomer valgt" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Træk for at flytte etiket" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "udklipsholder er ikke tilgængelig -- brug underskrevet applet" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} hydrogener tilføjet" - -#~ msgid "Hide Symmetry" -#~ msgstr "Skjul symmetri" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Indlæser Jmol-applet..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} sekunder" - -#~ msgid "Java version:" -#~ msgstr "Java-version:" - -#~ msgid "1 processor" -#~ msgstr "1 processor" - -#~ msgid "unknown processor count" -#~ msgstr "ukendt antal processorer" - -#~ msgid "Java memory usage:" -#~ msgstr "Java-hukommelsesforbrug:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB fri" - -#~ msgid "unknown maximum" -#~ msgstr "ukendt maksimum" - -#~ msgid "Open file or URL" -#~ msgstr "Ã…bn fil eller URL" diff --git a/qmpy/web/static/js/jsmol/idioma/de.po b/qmpy/web/static/js/jsmol/idioma/de.po deleted file mode 100644 index 2e68f2fc..00000000 --- a/qmpy/web/static/js/jsmol/idioma/de.po +++ /dev/null @@ -1,2661 +0,0 @@ -# German translation of the Jmol applet -# Copyright (C) 2005-2008 by the Jmol Development Team -# This file is distributed under the same license as the Jmol package. -# Daniel Leidert , 2005,2007,2008. -# Sebastian Lisken , 2006. -# Oliver Stueker -# -# Bitte denkte daran, dass *Fachbegriffe* der Chemie und -# verwandter Fachbereiche benötigt und benutzt werden! -# -# -msgid "" -msgstr "" -"Project-Id-Version: JmolApplet 11\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 23:44+0000\n" -"Last-Translator: cmdrhenner \n" -"Language-Team: none\n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Element?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol-Skript-Konsole" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Datei" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Schließen" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Hilfe" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Suchen …" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Befehle" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Mathematische &Funktionen" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "&Parameter festlegen" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Mehr" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Editor" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Zustand" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Ausführen" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Ausgabe leeren" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Eingabe leeren" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Verlauf" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Laden" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"Strg+Eingabe drücken für einen Zeilenumbruch oder Modelldaten einfügen und " -"auf »Laden« drücken" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Meldungen werden hier erscheinen. Geben Sie Kommandos in der unteren Box " -"ein. Klicken Sie auf das Hilfe-Menü für eine Online-Hilfe, die in einem " -"neuen Browser-Fenster erscheinen wird." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol-Skript-Editor" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konsole" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Öffnen" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Vorderseite" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Skript" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Prüfen" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "An die Spitze" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Stufe" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pause" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Fortsetzen" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Stoppen" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Leeren" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Schließen" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Datei oder URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Bildtyp" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG-Qualität ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG-Komprimierung ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG-Qualittät ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Ja" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Nein" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Möchten Sie die Datei {0} überschreiben?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Warnung" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Alle Dateien" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Abbrechen" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Dialogfeld für Dateiauswahl abbrechen" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Details" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Verzeichnis" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Ausgewähltes Verzeichnis öffnen" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Attribute" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Verändert" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Allgemeine Datei" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Name" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Dateiname:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Größe" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Dateityp:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Typ" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Hilfe" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Hilfe für Dateiauswahl" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Persönlicher Ordner" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Liste" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Suchen in:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Fehler beim Erstellen eines neuen Ordners" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Neuer Ordner" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Neuen Ordner erstellen" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Ausgewählte Datei öffnen" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Speichern" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Ausgewählte Datei speichern" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Speichern in:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Aktualisieren" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Verzeichnisliste aktualisieren" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Nach oben" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Eine Ebene nach oben" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Vorschau" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Modelle anhängen" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "PDB-Zeichentrick" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"HINWEIS: Wasserstoff Positionen der Backbone Amide sind vorhanden und werden " -"ignoriert. Ihre Positionen werden angenähert, so wie in der Standard DSSP " -"Analyse.\n" -"Verwenden Sie {0} um diese Annäherung nicht zu verwenden.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"HINWEIS: Wasserstoff Positionen der Backbone Amide sind vorhanden und werden " -"verwendet. Das Ergebnis kann signifikant von der Standard-DSSP-Analyse " -"abweichen.\n" -"Verwenden Sie {0} um diese Annäherung nicht zu verwenden.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "arabisch" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturisch" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "Aserbaidschanisch" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosnisch" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Katalanisch" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Tschechisch" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Dänisch" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Deutsch" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Griechisch" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Australisches Englisch" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "britisches Englisch" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "amerikanisches Englisch" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Spanisch" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estnisch" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "Baskisch" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finnisch" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Färöisch" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Französisch" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Friesisch" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "Galizisch" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Kroatisch" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Ungarisch" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armenisch" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesisch" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italienisch" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japanisch" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Javanisch" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Koreanisch" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Malaiisch" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norwegisches BokmÃ¥l" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Niederländisch" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Okzitanisch" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polnisch" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugiesisch" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Brasilianisches Portugiesisch" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Russisch" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Slowenisch" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbisch" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Schwedisch" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Türkisch" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uigurisch" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukrainisch" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "Usbekisch" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Chinesisch (vereinfacht)" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Chinesisch (traditionell)" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Kann keine Güteklasse für Karftfeld {0} feststellen" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Keine Atome ausgewählt -- es gibt nichts zu tun!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} Atome werden minimiert" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "kann Kraftfeld {0} nicht einrichten" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "Neu" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "Rückgängig (Strg+Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "Wiederherstellen (Strg+Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "Mittelpunkt" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "Wasserstoffe hinzufügen" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimieren" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "Wasserstoffe fixieren und minimieren" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "leeren" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "Datei speichern" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "Zustand speichern" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "invertiere Ring-Stereochemie" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "Atom löschen" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "verbinden durch Ziehen" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "Atom verschieben" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "Atom verschieben (und minimieren)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "Molekül verschieben und minimieren (Docking)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "Ladung erhöhen" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "Ladung verringern" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "Bindung löschen" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "einzeln" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "doppelt" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "dreifach" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "Bindunggsgrad erhöhen" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "Bindunggsgrad vermindern" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "Bindung rotieren (Umschalttaste+Ziehen)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "ModelKit Modus verlassen" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Raumgruppe" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Nichts" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Alle(s)" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} Prozessoren" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB insgesamt" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB maximal" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol-Skript-Konsole" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Maus-Handbuch" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Ãœbersetzungen" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "System" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Keine Atome geladen" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Einstellungen" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Element" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Modell/FRame" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Sprache" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Nach Residuen" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Nach HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Molekülorbital ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Symmetrie" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Modelldaten" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Auswahl ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Alle {0} Modelle" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Konfigurationen ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Gesamt {0} Modelle" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "Atome: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "Bindungen: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "Gruppen: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "Ketten: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "Polymere: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "Modell {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Ansicht {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Hauptmenü" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomoleküle" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "Biomolekül {0} ({1} Atome)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "Lade Biomolekül {0} ({1} Atome)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Nichts" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Nur Auswahl anzeigen" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Auswahl invertieren" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Ansicht" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Vorderseite" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Links" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Rechts" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Oberseite" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Unterseite" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Rückseite" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Achsen" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Achsen" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Achsen" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Achsen" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Achsen" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Achsen" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Protein" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Primärstruktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Seitenketten" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Polare Residuen" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Unpolare Residuen" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Basische Residuen (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Saure Residuen (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Ungeladene Residuen" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nukleinsäuren" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Basen" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT-Paare" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC-Paare" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU-Paare" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Sekundärstruktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Alle PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Alles Lösungsmittel" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Alles Wasser" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Nichtwässiges Lösungsmittel" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "Nichtwässiges HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Kohlenhydrate" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Keine der genannten" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Stil" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Schema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "Kalotten" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Kugel-Stab" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Stäbchen" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Drahtgitter" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Cartoon" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Spur" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atome" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Aus" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% Van-der-Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Bindungen" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "An" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Wasserstoff(brücken)bindungen" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Berechnen" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Setze H-Brücken Seitenkette" - -# The term "Backbone" seems to be commen in German too: -# http://de.wikipedia.org/wiki/Backbone_(Biochemie) -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Setze H-Brücken Backbone" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Disulfidbindungen" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Setze SS-Bindungen Seitenkette" - -# The term "Backbone" seems to be commen in German too: -# http://de.wikipedia.org/wiki/Backbone_(Biochemie) -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Setze SS-Bindungen Backbone" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Strukturen" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Cartoon Raketen" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Bänder" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Raketen" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Bänder" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Schwingung" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektoren" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Spektren" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} Pixel" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Skalierung {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereografie" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "3D-Brille Rot/Cyan" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "3D-Brille Rot/Blau" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "3D-Brille Rot/Grün" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Kreuzblick" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Parallelblick" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Beschriftungen" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Mit Elementsymbol" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Mit Atomname" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Mit Atomnummer" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Beschriftung am Atom positionieren" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Zentriert" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Oben rechts" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Unten rechts" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Oben links" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Unten links" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Farbe" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Nach Schema" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Element (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Alternative Lage" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molekül" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Formalladung" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Partialladung" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Temperatur (relativ)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Temperatur (fest)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminosäure" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Kette" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Gruppe" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Schattenhaft" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Umkehren" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Schwarz" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Weiß" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Cyan" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Rot" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Orange" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Gelb" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Grün" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Blau" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violett" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Lachsrosa" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Olivgrün" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Kastanienbraun" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Grau" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Schieferblau" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Gold" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orchideenrosa" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Lichtundurchlässig machen" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Lichtdurchlässig machen" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Hintergrund" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Oberflächen" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Achsen" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Zeichen-Box" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Elementarzelle" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Vergößerung" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Vergrößern" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Verkleinern" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Spin" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "X-Rate einstellen" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Y-Rate einstellen" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Z-Rate einstellen" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Framerate einstellen" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animation" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Animationsmodus" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Einmal abspielen" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Schleife" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Abspielen" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Anhalten" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Nächster Frame" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Vorheriger Frame" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Zurückspulen" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Umkehren" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Neustart" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Messungen" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Doppelklick startet und beendet alle Messungen" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Abstand messen" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Winkel messen" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Torsions-/Diederwinkel messen" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Klicke zwei Atome an um eine Sequenz in der Konsole anzuzeigen" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Messwerte löschen" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Messwerte listen" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Abstand in Nanometer" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Abstand in Ã…ngström" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Abstand in Picometer" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Auswahlmodus einstellen" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Zentriert" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identifiziere" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Beschriftung" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Atom selektieren" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Kette selektieren" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Element selektieren" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "ModelKit Modus verlassen" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Gruppe selektieren" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Molekül selektieren" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Seite selektieren" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Zeige Symmetrie Operation" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Anzeigen" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol-Skript-Konsole" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Dateininhalt" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Dateiheader" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Isoflächedaten JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Molekülorbitaldaten JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Modell" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientierung" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Raumgruppe" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Aktueller Zustand" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Datei" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Neu Laden" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Aus PDB öffnen" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Ausgewählte Datei öffnen" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Öffnen" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Lade gesamte Elementarzelle" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Skript öffnen" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Eine Kopie von {0} speichern" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Skript mit Status speichern" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Skript mit Verlauf speichern" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "exportiere {0} Abbild" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Alles als Jmol-Datei (zip) speichern" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "speichere JVXL Isooberfläche" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "expotiere {0} 3D Modell" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Berechnung" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "optimiere Struktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Model Kit" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "MOL-Daten extrahieren" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Gepunktete Oberfläche" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "van-der-Waals Oberfläche" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Moleküloberfläche" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Lösungsmittel Oberfläche ({0}-Angström Sonde)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Lösungsmittel-zugängliche Oberfläche \"SAS\" (VDW + {0} Ã…)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Erneut laden {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Neuladen {0} + Anzeige {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Neu Laden + Polyhedra" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Verbergen" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Gepunktet" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Pixelbreite" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Ã…ngström-Breite" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Auswahl Halo" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Wasserstoffe anzeigen" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Messungen anzeigen" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Perspektivische Tiefe" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol Farben" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Ãœber..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "Skript-Compiler FEHLER: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "x y z Achse erwartet" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} nicht erlaubt mit angezeigtem Hintergrund-Modell" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "falsche Argument Anzahl" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Nicht alle Miller-Indices können Null sein." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "fehlerhafte [R,G,B] Farbe" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "Logischer Term (Boolean) erwartet" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "Logischer Term (Boolean) oder Zahl erwartet" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "Logischer Term (Boolean), Zahl oder {0} erwartet" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "Wert konnte nicht gesetzt werden" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "Farbe erwartet" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "Eine Farbe oder ein Palettenname (Jmol, Rasmol) wird benötigt" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "Befehl erwartet" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} oder $name oder (Ausdruck) wird benötigt" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "Zeichnungs-Objekt nicht definiert" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "Unerwartetes Ende des Skript Befehls" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "gültiger (Atom Ausdruck) erwartet" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "(Atom Ausdruck) oder Ganzzahl erwartet" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "Dateiname erwartet" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "Datei nicht gefunden" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "inkompatible Argumente" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "zu wenige Argumente" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "Ganzzahl erwartet" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "Ganzzahl nicht im gültigen Bereich ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "ungültiges Argument" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "ungültige Reihenfolge der Parameter" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "Schlüsselwort erwartet" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "keine MO Koeffizient Daten vorhanden" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "Ein MO Index zwischen 1 und {0} wird benötigt" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "für diesen Frame sind keine MO Basis/Koeffizient Daten verfügbar" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "Keine Daten über die MO-Besetzung vorhanden" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "In dieser Datei isr nur ein Molekül-Orbital verfügbar" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} erfordert, dass nur ein Modell angezeigt wird" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} macht es erforderlich, dass nur ein Modell geladen wird" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Keine Daten verfügbar." - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Aus der Datei wurden keine Partialladungen gelesen; Jmol benötigt diese, um " -"die MEP-Daten darzustellen." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Keine Elementarzelle" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "Zahl erwartet" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "Zahl muss ({0} or {1}) sein" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "Dezimalzahl nicht im gültigen Bereich ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "Objektname erwartet nach '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"Fläche erwartet -- entweder drei Punkte oder Atom-Ausdrücke oder {0} oder " -"{1} oder {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "Eigenschafts Name erwartet" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "Raumgruppe {0} nicht gefunden" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "In Anführungszeichen gesetzte Zeichenkette erwartet" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "In Anführungszeichen gesetzte Zeichenkette oder Bezeichner erwartet" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "zu viele Rotationspunkte benannt" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "zu viele Skript-Ebenen" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "nicht erkannte Atom-Eigenschaft" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "nicht erkannte Bindungs-Eigenschaft" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "nicht erkannter Befehl" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "zur Laufzeit nicht erkannter Ausdruck" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "unbekanntes Objekt" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "unbekannter {0} Parameter" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "Unbekannter Parameter {0} in Jmol-Zustands-Skript (trotzdem gesetzt)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "unbekannter SHOW parameter -- benutze {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "Was schreiben? {0} oder {1} \"Dateiname\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "Skript FEHLER: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} Atome gelöscht" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} Wasserstoff(brücken)bindungen" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "Datei {0} erstellt" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "Ungültiger Kontext für {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ Zahl Zahl Zahl } erwartet" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "Ende des Ausdrucks erwartet" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "Bezeichner oder Residue-Spezifikation erwartet" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "ungültige Atom-Spezifikation" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "ungültige Ketten-Spezifikation" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "ungültiges Ausdrucks-Token: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "ungültige Modell-Spezifikation" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "fehlendes END für {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "Zahl oder Variablenname erwartet" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "Residue Spezifikation (ALA, AL?, A*) erwartet" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} erwartet" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} unerwartet" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "unbekanntes Ausdrucks-Token: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "Unbekanntes Token: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} Streben hunzugefügt" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} Bindungen gelöscht" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} neue Bindungen; {1} verändert" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "HINWEIS: Mehr als ein Modell ist in diesen Kontakt involviert!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Klicken um in das Menü zu kommen..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol-Applet Version {0} {1}.\n" -"\n" -"Ein OpenScience-Projekt.\n" -"\n" -"Mehr Informationen unter http://www.jmol.org." - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Datei-Fehler:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "zuweisen/neues Atom oder Bindung (erfordert {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "Letztes Kontextmenü aufklappen (Jmol-Emblem anklicken)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "Atom löschen (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "Bindung löschen (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "Tiefe anpassen (hintere Ebene; benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "Atom verschieben (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "ein ganzes DRAW Objekt verschieben (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "einen bestimmten DRAW-Punkt verschieben (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "Beschriftungen verschieben (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "Atom verschieben und Molekül minimieren (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "bewege und minimiere Molekül (erfordert {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "Ausgewählte Atome bewegen (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "ziehe Atome in Z-Richtung (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "multi-touch simulieren (mit der Maus)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "Navigationspunkt verschieben (benötigt {0} und {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "Atom auswählen" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "Atome verbinden (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "wähle einen ISOSURFACE Punkt (benötigt {0}" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" -"Eine Beschriftung auswählen um es zu verstecken/anzuzeigen (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"ein Atom auswählen um es in einer Messung zu verwenden (nach dem Starten " -"einer Messung oder nach {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "wähle einen Punkt oder Atom als Navigations-Ziel (erfordert {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "wähle einen DRAW Punkt (für Messungen) (erfordert {0})" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "komplettes Kontextmenü öffnen" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "zurücksetzen (wenn neben dem Modell geklickt)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "drehen" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "rotiere Verzweigung um Bindung (erfordert {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "Ausgewählte Atome drehen (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "rotieren Z-Achse" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"rotieren Z-Achse (horizontale Bewegung der Maus) oder zoomen (vertikale " -"Bewegung der Maus)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "ein Atom auswählen (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "wähle und verschiebe Atome (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "Auswahl für diese Gruppe von Atomen aufheben (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "nichts auswählen (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" -"diese Gruppe von Atomen den ausgewählten Atomen hinzufügen (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "Auswahl hin- und herschalten (erfordert {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"wenn alle ausgewählt sind, wähle alle ab, ansonsten füge diese Gruppe von " -"Atomen der Menge ausgewählten Atome hinzu (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "Atom auswählen um Messung zu initiieren oder abzuschließen" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "Schnittfläche anpassen (vordere Ebene; benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" -"Schnittfläche/Tiefe Ausschnitt verschieben (beide Ebenen; benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "Zoom (entlang der rechten Bildkante)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"klicke zwei Atome an um gegen den Uhrzeigersinn um die Achse zu drehen " -"(erfordert {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"klicke zwei Atome an um im Uhrzeigersinn um die Achse zu drehen (erfordert " -"{0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "Bewegung stoppen (benötigt {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" -"Modell in Rotation versetzen (wischen und Knopf loslassen und gleichzeitig " -"Bewegung stoppen)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "verschieben" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "Zoom" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "wähle ein weiteres Atom um das Modell um eine Achse zu drehen" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "wähle zwei Atome um das Modell um eine Achse zu drehen" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "wähle ein oder mehrere Atome um die Symmetrie-Beziehung anzuzeigen" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "wähle zwei Atome um ihre Symmetrie-Beziehung anzuzeigen" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Stelle Log Datei auf {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Kann Pfad für Log-Datei nicht setzen" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} Atome versteckt" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} Atome ausgewählt" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Ziehen um Beschriftung zu bewegen." - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" -"auf den Notizblock kann nicht zugegriffen werden -- verwenden Sie das " -"signierte Miniprogramm" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} Wasserstoff-Brücken hinzugefügt" - -#~ msgid "Hide Symmetry" -#~ msgstr "Symetrie verstecken" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Jmol-Applet wird geladen …" - -#~ msgid " {0} seconds" -#~ msgstr " {0} Sekunden" - -#~ msgid "Java version:" -#~ msgstr "Java Version" - -#~ msgid "1 processor" -#~ msgstr "1 Prozessor" - -#~ msgid "unknown processor count" -#~ msgstr "Prozessoranzahl unbekannt" - -#~ msgid "Java memory usage:" -#~ msgstr "Speicherbedarf von Java:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB frei" - -#~ msgid "unknown maximum" -#~ msgstr "Maximum unbekannt" - -#~ msgid "Open file or URL" -#~ msgstr "Datei oder URL öffnen" diff --git a/qmpy/web/static/js/jsmol/idioma/el.po b/qmpy/web/static/js/jsmol/idioma/el.po deleted file mode 100644 index a1044893..00000000 --- a/qmpy/web/static/js/jsmol/idioma/el.po +++ /dev/null @@ -1,2605 +0,0 @@ -# Greek translation for jmol -# Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2008. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Dimitrios - Georgios Kontopoulos \n" -"Language-Team: Greek \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Στοιχείο;" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Κονσόλα Script του Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "ΑÏχείο" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Κλείνω" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Βοήθεια" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Αναζήτηση..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Κατάσταση" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "ΙστοÏικό" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "ΦόÏτωση" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Κονσόλα" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Άνοιγμα" - -#: org/jmol/console/ScriptEditor.java:143 -msgid "Font" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Script" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Έλεγχος" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "ΠαÏση" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Συνέχιση" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Απαλοιφή" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Κλείνω" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "ΑÏχείο ή URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "ΤÏπος εικόνας" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Ποιότητα JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Συμπίεση PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Ποιότητα PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Îαι" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Όχι" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Θέλετε να αντικαταστήσετε το αÏχείο {0};" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Όλα τα ΑÏχεία" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "ΑκÏÏωση" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Ενότητες:" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Κατάλογος" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Άνοιγμα επιλεγμένου καταλόγου" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Όνομα" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Όνομα αÏχείου:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Μέγεθος" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "ΑÏχεία Ï„Ïπου:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Βοήθεια" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Βοήθεια για τον ΕπιλογέαΑÏχείων" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "ΑÏχική" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Λάθος δημιουÏγίας νέου φακέλου" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Îέος Φάκελος" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "ΔημιουÏγία Îέου Φακέλου" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Άνοιγμα επιλεγμένου αÏχείου" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Αποθήκευση" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Αποθήκευση επιλεγμένου αÏχείου" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Αποθήκευση στο:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "ΕνημέÏωση" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Πάνω" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Ένα επίπεδο πάνω" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "Εντάξει" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "ΠÏοεπισκόπηση" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "ΑÏαβικά" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Καταλανικά" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Τσέχικα" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Δανέζικα" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "ΓεÏμανικά" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Ελληνικά" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Αγγλικά (Îœ. Î’Ïετανίας)" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Αγγλικά (ΑμεÏικής)" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Ισπανικά" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Εσθονικά" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Îήσων ΦεÏόε" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Γαλλικά" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "ΟυγγÏικά" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Ινδονησιακά" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Ιταλικά" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Ιαπωνικά" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "ΚοÏεάτικα" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Ολλανδικά" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Πολωνέζικα" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "ΠοÏτογαλικά" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "ΠοÏτογαλικά Î’Ïαζιλίας" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Ρωσικά" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Σλοβένικα" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Σουηδικά" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "ΤοÏÏκικα" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "ΟυκÏανικά" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Απλοποιημένα Κινέζικα" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "ΠαÏαδοσιακά Κινέζικα" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Δεν επιλέχθηκαν άτομα -- δεν υπάÏχει κάτι να κάνω!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "νέο" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "αναίÏεση (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "Ï€Ïοσθήκη υδÏογόνων" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "αποθήκευση αÏχείου" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "διαγÏαφή ατόμου" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "αÏξηση φοÏτίου" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "μείωση φοÏτίου" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "διαγÏαφή δεσμοÏ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "μονός" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "διπλός" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "Ï„Ïιπλός" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -msgid "none" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Όλα" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} επεξεÏγαστές" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB σÏνολο" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB μέγιστο" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Κονσόλα Script του Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "ΜεταφÏάσεις" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "ΣÏστημα" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Δεν φοÏτώθηκαν άτομα" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Ρυθμίσεις" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Στοιχείο" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Γλώσσα" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Κατά Όνομα Καταλοίπου" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "ΜοÏιακά ΤÏοχιακά ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "ΣυμμετÏία" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "ΠληÏοφοÏίες Μοντέλου" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Επιλογή ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "άτομα: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "δεσμοί: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "ομάδες: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "αλυσίδες: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "πολυμεÏή: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "μοντέλο {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "ΚεντÏικό ΜενοÏ" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "ΒιομόÏια" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "βιομόÏιο {0} ({1} άτομα)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "φόÏτωση βιομοÏίου {0} ({1} άτομα)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Άξονες" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Άξονες" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Άξονες" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Άξονες" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Άξονες" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Άξονες" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "ΠÏωτεÎνη" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Ραχοκοκαλιά" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "ΠλευÏικές Αλυσίδες" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Πολικά Κατάλοιπα" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Μη Πολικά Κατάλοιπα" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Βασικά Κατάλοιπα (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Όξινα Κατάλοιπα (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Μη ΦοÏτισμένα Κατάλοιπα" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Îουκλεϊκό" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Βάσεις" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "ζεÏγη AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "ζεÏγη GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "ζεÏγη AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "ΔευτεÏοταγής Δομή" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "ΕτεÏοάτομα" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Όλος ο ΔιαλÏτης" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Όλο το ÎεÏÏŒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Μη υδατικός ΔιαλÏτης" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "ΠÏοσδέτης" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "ΥδατάνθÏακας" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Κανένα από τα παÏαπάνω" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "ΚαÏτοÏν" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Άτομα" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Δεσμοί" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Δεσμοί ΥδÏογόνου" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Δισουλφιδικοί Δεσμοί" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Δομές" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "ΚοÏδέλες" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} εικονοστοιχεία" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Κλίμακα {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Ετικέτες" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Με το ΣÏμβολο του Στοιχείου" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Με το Όνομα του Ατόμου" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Με τον ΑÏιθμό του Ατόμου" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Πάνω Δεξιά" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Κάτω Δεξιά" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Πάνω ΑÏιστεÏά" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Κάτω ΑÏιστεÏά" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "ΧÏώμα" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "ΜόÏιο" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "ΜεÏικό ΦοÏτίο" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "ΘεÏμοκÏασία (Σχετική)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "ΑμινοξÏ" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Αλυσίδα" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Ομάδα" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "ΜονομεÏές" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "ΜαÏÏο" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Λευκό" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Κυανό" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Κόκκινο" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "ΠοÏτοκαλί" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "ΚίτÏινο" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "ΠÏάσινο" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Μπλε" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Βιολετί" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Λαδί" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "ΓκÏι" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "ΧÏυσό" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "ΠαÏασκήνιο" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Άξονες" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Στοιχειώδης κυψελίδα" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "ΠαλινδÏομικά" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "ΑναπαÏαγωγή" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "ΜετÏήσεις" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Με διπλό κλικ ξεκινοÏν και τελειώνουν όλες οι μετÏήσεις" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Κάντε κλικ για μέτÏηση απόστασης" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Κάντε κλικ για μετÏήση γωνίας" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "ΔιαγÏαφή μετÏήσεων" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Μονάδες απόστασης νανόμετÏα" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Μονάδες απόστασης Angstroms" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Μονάδες απόστασης πικόμετÏα" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Επιλογή ατόμου" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Επιλογή αλυσίδας" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Επιλογή στοιχείου" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Επιλογή ομάδας" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Επιλογή μοÏίου" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Κονσόλα Script του Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "ΠεÏιεχόμενα ΑÏχείου" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Κεφαλίδα ΑÏχείου" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Μοντέλο" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "ΠÏοσανατολισμός" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "ΑÏχείο" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Άνοιγμα από την PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Άνοιγμα επιλεγμένου αÏχείου" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Άνοιγμα" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Άνοιγμα script" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Αποθήκευση αντιγÏάφου από {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Εξαγωγή {0} εικόνας" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Αποθήκευσέ τα όλα ÏŽÏ‚ αÏχείο JMOL (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Εξαγωγή {0} 3D μοντέλου" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Υπολογισμός" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Βελτίωση δομής" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "Επιφάνεια van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "ΜοÏιακή Επιφάνεια" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "ΕπαναφόÏτωση {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "ΑπόκÏυψη" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Πλάτος εικονοστοιχείου" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Πλάτος Angstrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Εμφάνιση ΥδÏογόνων" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Δείξε ΜετÏήσεις" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Βάθος ΠÏοοπτικής" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "ΧÏώματα RasMol" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "δε βÏέθηκε το αÏχείου" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "ασÏμβατα οÏίσματα" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "ανεπαÏκή οÏίσματα" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "μη έγκυÏο ÏŒÏισμα" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Μόνο ένα μοÏιακό Ï„Ïοχιακό είναι διαθέσιμο σε αυτό το αÏχείο" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Δεν υπάÏχουν διαθέσιμα δεδομένα" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Δεν υπάÏχει στοιχειώδης κυψελίδα" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "ο αÏιθμός Ï€Ïέπει να είναι ({0} ή {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "μη αναγνωÏίσιμη εντολή" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "μη αναγνωÏίσιμο αντικείμενο" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "μη αναγνωÏίσιμη {0} παÏάμετÏος" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} άτομα διαγÏάφηκαν" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} δεσμοί υδÏογόνου" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "αÏχείο {0} δημιουÏγήθηκε" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, fuzzy, java-format -msgid "{0} struts added" -msgstr "{0} υδÏογόνα Ï€Ïοστέθηκαν" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} συνδέσεις διαγÏάφηκαν" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} νέοι δεσμοί, {1} Ï„Ïοποποιήθηκαν" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Κάντε κλικ για μενοÏ..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Λάθος ΑÏχείου:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "διαγÏαφή ατόμου (απαιτείται {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "διαγÏαφή Î´ÎµÏƒÎ¼Î¿Ï (απαιτείται {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "μετακίνηση ατόμου (απαιτείται {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "μετακίνηση επιλεγμένων ατόμων (απαιτείται {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "επιλέξτε ένα άτομο" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "σÏνδεση ατόμων (απαιτείται {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "πεÏιστÏοφή" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "πεÏιστÏοφή επιλεγμένων ατόμων (απαιτείται {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "πεÏιστÏοφή του Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "επιλέξτε ένα άτομα (απαιτείται {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "επιλέξτε ένα άτομο για να ξεκινήσει ή να ολοκληÏωθεί μια μέτÏηση" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "μετάφÏαση" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" -"επιλέξτε ένα ακόμα άτομο για να πεÏιστÏαφεί το μοντέλο γÏÏω από έναν άξονα" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "επιλέξτε δÏο άτομα για να πεÏιστÏαφεί το μοντέλο γÏÏω από έναν άξονα" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "επιλέξτε ένα ακόμα άτομο για να απεικονιστεί η σχέση συμμετÏίας" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "επιλέξτε δÏο άτομα για να απεικονιστεί η σχέση συμμετÏίας ανάμεσά τους" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} άτομα επιλέχτηκαν" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} υδÏογόνα Ï€Ïοστέθηκαν" - -#~ msgid "Hide Symmetry" -#~ msgstr "ΑπόκÏυψη ΣυμμετÏίας" - -#~ msgid " {0} seconds" -#~ msgstr " {0} δευτεÏόλεπτα" - -#~ msgid "Java version:" -#~ msgstr "Έκδοση Java:" - -#~ msgid "1 processor" -#~ msgstr "1 επεξεÏγαστής" - -#~ msgid "unknown processor count" -#~ msgstr "άγνωστος αÏιθμός επεξεÏγαστών" - -#~ msgid "Java memory usage:" -#~ msgstr "ΧÏήση μνήμης από Java:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} ελεÏθεÏα MB" - -#~ msgid "unknown maximum" -#~ msgstr "άγνωστο μέγιστο" - -#~ msgid "Open file or URL" -#~ msgstr "Άνοιγμα αÏχείου ή URL" diff --git a/qmpy/web/static/js/jsmol/idioma/en_GB.po b/qmpy/web/static/js/jsmol/idioma/en_GB.po deleted file mode 100644 index 46c1991f..00000000 --- a/qmpy/web/static/js/jsmol/idioma/en_GB.po +++ /dev/null @@ -1,2636 +0,0 @@ -# English (United Kingdom) translation for jmol -# Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2008. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 23:44+0000\n" -"Last-Translator: Nicolas Vervelle \n" -"Language-Team: English (United Kingdom) \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Element?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol Script Console" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "File" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Close" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Help" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Search..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Commands" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Maths &Functions" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Set &Parameters" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&More" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Editor" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "State" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Run" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Clear Output" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Clear Input" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "History" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Load" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "press CTRL-ENTER for new line or paste model data and press Load" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol Script Editor" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Console" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Open" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Front" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Script" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Check" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Top" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Step" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pause" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Resume" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Halt" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Clear" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Close" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "File or URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Image Type" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG Quality ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG Compression ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG Quality ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Yes" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "No" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Do you want to overwrite file {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Warning" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "All Files" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Cancel" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Abort file chooser dialog" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Details" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Directory" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Open selected directory" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Attributes" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Modified" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Generic File" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Name" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "File Name:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Size" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Files of Type:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Type" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Help" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "FileChooser help" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Home" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "List" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Look In:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Error creating new folder" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "New Folder" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Create New Folder" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Open selected file" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Save" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Save selected file" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Save In:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Update" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Update directory listing" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Up" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Up One Level" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Preview" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Append models" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "PDB cartoons" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arabic" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturian" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "Azerbaijani" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosnian" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Catalan" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Czech" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Danish" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "German" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Greek" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Australian English" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "British English" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "American English" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Spanish" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estonian" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "Basque" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finnish" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Faroese" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "French" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Frisian" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "Galician" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Croatian" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Hungarian" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armenian" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesian" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italian" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japanese" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Javanese" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Korean" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Malay" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norwegian Bokmal" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Dutch" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitan" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polish" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portuguese" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Brazilian Portuguese" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Russian" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Slovenian" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbian" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Swedish" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turkish" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uyghur" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukrainian" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "Uzbek" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Simplified Chinese" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Traditional Chinese" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Could not get class for force field {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "No atoms selected -- nothing to do!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atoms will be minimised." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "could not setup force field {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "new" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "undo (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "redo (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "centre" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "add hydrogens" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimise" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "fix hydrogens and minimise" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "clear" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "save file" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "save state" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "invert ring stereochemistry" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "delete atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "drag to bond" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "drag atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "drag atom (and minimise)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "drag and minimise molecule (docking)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "increase charge" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "decrease charge" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "delete bond" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "single" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "double" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "triple" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "increase order" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "decrease order" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "rotate bond (SHIFT-DRAG)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "exit modelkit mode" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Space group" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "None" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "All" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} processors" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB total" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB maximum" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol Script Console" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Mouse Manual" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Translations" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "System" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "No atoms loaded" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Configurations" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Element" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Model/Frame" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Language" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "By Residue Name" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "By HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Molecular Orbitals ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Symmetry" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Model information" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Select ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "All {0} models" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Configurations ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Collection of {0} models" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atoms: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "bonds: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "groups: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "chains: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polymers: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "View {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Main Menu" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolecules" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolecule {0} ({1} atoms)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "load biomolecule {0} ({1} atoms)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "None" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Display Selected Only" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Invert Selection" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "View" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Front" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Left" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Right" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Top" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Bottom" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Back" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Protein" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Backbone" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Side Chains" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Polar Residues" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Nonpolar Residues" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Basic Residues (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Acidic Residues (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Uncharged Residues" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nucleic" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Bases" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT pairs" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC pairs" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU pairs" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Secondary Structure" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "All PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "All Solvent" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "All Water" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Nonaqueous Solvent" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "Nonaqueous HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Carbohydrate" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "None of the above" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Style" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Scheme" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK Spacefill" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Ball and Stick" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Sticks" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Wireframe" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Cartoon" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Trace" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atoms" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Off" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Bonds" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "On" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Hydrogen Bonds" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Calculate" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Set H-Bonds Side Chain" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Set H-Bonds Backbone" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Disulfide Bonds" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Set SS-Bonds Side Chain" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Set SS-Bonds Backbone" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Structures" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Cartoon Rockets" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Ribbons" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Rockets" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Strands" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibration" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vectors" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Spectra" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pixels" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Scale {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereographic" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Red+Cyan glasses" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Red+Blue glasses" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Red+Green glasses" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Cross-eyed viewing" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Wall-eyed viewing" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Labels" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "With Element Symbol" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "With Atom Name" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "With Atom Number" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Position Label on Atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Centred" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Upper Right" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Lower Right" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Upper Left" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Lower Left" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Colour" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "By Scheme" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Element (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Alternative Location" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molecule" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Formal Charge" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Partial Charge" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Temperature (Relative)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Temperature (Fixed)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Amino Acid" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Chain" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Group" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Shapely" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Inherit" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Black" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "White" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Cyan" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Red" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Orange" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Yellow" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Green" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Blue" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violet" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Salmon" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Olive" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Maroon" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Grey" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Slate Blue" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Gold" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orchid" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Make Opaque" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Make Translucent" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Background" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Surfaces" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Boundbox" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Unit cell" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Zoom" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Zoom In" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Zoom Out" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Spin" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Set X Rate" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Set Y Rate" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Set Z Rate" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Set FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animation" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Animation Mode" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Play Once" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindrome" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Loop" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Play" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Stop" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Next Frame" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Previous Frame" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Rewind" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Reverse" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Restart" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Measurements" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Double-Click begins and ends all measurements" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Click for distance measurement" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Click for angle measurement" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Click for torsion (dihedral) measurement" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Click two atoms to display a sequence in the console" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Delete measurements" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "List measurements" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Distance units nanometers" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Distance units Angstroms" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Distance units picometers" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Set picking" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Center" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identity" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Label" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Select atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Select chain" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Select element" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "exit modelkit mode" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Select group" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Select molecule" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Select site" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Show symmetry operation" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Show" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol Script Console" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "File Contents" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "File Header" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Isosurface JVXL data" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Molecular orbital JVXL data" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Model" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientation" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Space group" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Current state" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "File" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Reload" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Open from PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Open selected file" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Open" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Load full unit cell" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Open script" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Save a copy of {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Save script with state" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Save script with history" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Export {0} image" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Save all as JMOL file (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Save JVXL isosurface" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Export {0} 3D model" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Computation" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimise structure" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Model kit" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Extract MOL data" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Dot Surface" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "van der Waals Surface" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Molecular Surface" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Solvent Surface ({0}-Angstrom probe)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Solvent-Accessible Surface (VDW + {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Reload {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Reload {0} + Display {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Reload + Polyhedra" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Hide" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Dotted" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Pixel Width" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Angstrom Width" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Selection Halos" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Show Hydrogens" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Show Measurements" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Perspective Depth" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol Colours" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "About..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "Script compiler ERROR: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "x y z axis expected" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} not allowed with background model displayed" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "bad argument count" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Miller indices cannot all be zero." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "bad [R,G,B] colour" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "boolean expected" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "boolean or number expected" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "boolean, number, or {0} expected" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "cannot set value" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "colour expected" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "a colour or palette name (Jmol, Rasmol) is required" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "command expected" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} or $name or (atom expression) required" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "draw object not defined" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "unexpected end of script command" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "valid (atom expression) expected" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "(atom expression) or integer expected" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "filename expected" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "file not found" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "incompatible arguments" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "insufficient arguments" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "integer expected" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "integer out of range ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "invalid argument" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "invalid parameter order" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "keyword expected" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "no MO coefficient data available" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "An MO index from 1 to {0} is required" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "no MO basis/coefficient data available for this frame" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "no MO occupancy data available" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Only one molecular orbital is available in this file" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} require that only one model be displayed" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} requires that only one model be loaded" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "No data available" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "No unit cell" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "number expected" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "number must be ({0} or {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "decimal number out of range ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "object name expected after '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "property name expected" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "space group {0} was not found." - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "quoted string expected" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "quoted string or identifier expected" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "too many rotation points were specified" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "too many script levels" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "unrecognised atom property" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "unrecognised bond property" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "unrecognised command" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "runtime unrecognised expression" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "unrecognised object" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "unrecognised {0} parameter" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "unrecognised {0} parameter in Jmol state script (set anyway)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "unrecognised SHOW parameter -- use {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "write what? {0} or {1} \"filename\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "script ERROR: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atoms deleted" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} hydrogen bonds" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "file {0} created" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "invalid context for {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ number number number } expected" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "end of expression expected" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "identifier or residue specification expected" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "invalid atom specification" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "invalid chain specification" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "invalid expression token: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "invalid model specification" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "missing END for {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "number or variable name expected" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "residue specification (ALA, AL?, A*) expected" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} expected" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} unexpected" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "unrecognised expression token: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "unrecognised token: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} struts added" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} connections deleted" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} new bonds; {1} modified" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Note: More than one model is involved in this contact!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Click for menu..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "File Error:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "assign/new atom or bond (requires {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "pop up recent context menu (click on Jmol frank)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "delete atom (requires {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "delete bond (requires {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "adjust depth (back plane; requires {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "move atom (requires {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "move whole DRAW object (requires {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "move specific DRAW point (requires {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "move label (requires {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "move atom and minimise molecule (requires {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "move and minimise molecule (requires {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "move selected atoms (requires {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "Drag atoms in Z direction (requires {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simulate multi-touch using the mouse)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "translate navigation point (requires {0} and {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "pick an atom" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "connect atoms (requires {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "pick an ISOSURFACE point (requires {0}" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "pick a label to toggle it hidden/displayed (requires {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "pick a point or atom to navigate to (requires {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "pick a DRAW point (for measurements) (requires {0}" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "pop up the full context menu" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "reset (when clicked off the model)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "rotate" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "rotate branch around bond (requires {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "rotate selected atoms (requires {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "rotate Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "select an atom (requires {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "select and drag atoms (requires {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "deselect this group of atoms (requires {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "select NONE (requires {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "add this group of atoms to the set of selected atoms (requires {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "toggle selection (requires {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"if all are selected, deselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "pick an atom to initiate or conclude a measurement" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "adjust slab (front plane; requires {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "move slab/depth window (both planes; requires {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "zoom (along right edge of window)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "click on two points to spin around axis anti-clockwise (requires {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "click on two points to spin around axis clockwise (requires {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "stop motion (requires {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "spin model (swipe and release button and stop motion simultaneously)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "translate" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "zoom" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "pick one more atom in order to spin the model around an axis" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "pick two atoms in order to spin the model around an axis" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "pick one more atom in order to display the symmetry relationship" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" -"pick two atoms in order to display the symmetry relationship between them" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Setting log file to {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Cannot set log file path." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} atoms hidden" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atoms selected" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Drag to move label" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "clipboard is not accessible -- use signed applet" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} hydrogens added" - -#~ msgid "Hide Symmetry" -#~ msgstr "Hide Symmetry" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Loading Jmol applet ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} seconds" - -#~ msgid "Java version:" -#~ msgstr "Java version:" - -#~ msgid "1 processor" -#~ msgstr "1 processor" - -#~ msgid "unknown processor count" -#~ msgstr "unknown processor count" - -#~ msgid "Java memory usage:" -#~ msgstr "Java memory usage:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB free" - -#~ msgid "unknown maximum" -#~ msgstr "unknown maximum" - -#~ msgid "Open file or URL" -#~ msgstr "Open file or URL" diff --git a/qmpy/web/static/js/jsmol/idioma/es.po b/qmpy/web/static/js/jsmol/idioma/es.po deleted file mode 100644 index 16722a7f..00000000 --- a/qmpy/web/static/js/jsmol/idioma/es.po +++ /dev/null @@ -1,2599 +0,0 @@ -msgid "" -msgstr "" -"Project-Id-Version: Jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2015-12-27 20:42+0100\n" -"Last-Translator: Angel Herráez \n" -"Language-Team: Spanish \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Country: SPAIN\n" -"X-Poedit-Language: Spanish\n" -"X-Poedit-SourceCharset: utf-8\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "¿Quieres reemplazar el modelo actual por el nuevo modelo seleccionado?" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "¿Elemento?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Consola de guiones de Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "&Guardar como..." - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "&Archivo" - -#: org/jmol/console/GenericConsole.java:92 -msgid "&Close" -msgstr "&Cerrar" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "Ay&uda" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Buscar..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Instrucciones" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "&Funciones matemáticas" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Establecer &parámetros" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Más" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Editor" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Estado" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Ejecutar" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Limpiar salida" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Limpiar entrada" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Historial" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Cargar" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "pulsa Ctrl+Intro para una línea nueva o pega datos de un modelo y luego pulsa Cargar" - -#: org/jmol/console/GenericConsole.java:113 -msgid "Messages will appear here. Enter commands in the box below. Click the console Help menu item for on-line help, which will appear in a new browser window." -msgstr "Aquí aparecerán los mensajes. Escribe las instrucciones en el recuadro de abajo. Puedes solicitar ayuda en línea usando el menú situado aquí encima; la ayuda se mostrará en una ventana nueva del navegador." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Editor de guiones de Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Consola" - -#: org/jmol/console/ScriptEditor.java:142 -#: org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 -#: org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Abrir" - -#: org/jmol/console/ScriptEditor.java:143 -msgid "Font" -msgstr "Letra" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Guión" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Comprobar" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Subir" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Un paso" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pausa" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Reanudar" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Detener" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Limpiar" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Cerrar" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Archivo o URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Tipo de imagen" - -#: org/jmol/dialog/Dialog.java:290 -#: org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Calidad de JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Compresión de PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Calidad de PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 -#: org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Sí" - -#: org/jmol/dialog/Dialog.java:385 -#: org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "No" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "¿Quieres sobreescribir el archivo {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Aviso" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Todos los archivos" - -#: org/jmol/dialog/Dialog.java:448 -#: org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Cancelar" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Cancelar el diálogo de elección de archivo" - -#: org/jmol/dialog/Dialog.java:452 -#: org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Detalles" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Carpeta" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Abrir carpeta seleccionada" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Atributos" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Modificado" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Archivo genérico" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Nombre" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Nombre del archivo:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Tamaño" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Archivos del tipo:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Tipo" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Ayuda" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Ayuda para elegir archivo" - -#: org/jmol/dialog/Dialog.java:469 -#: org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Inicio" - -#: org/jmol/dialog/Dialog.java:471 -#: org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Lista" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Buscar en:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Error al crear nueva carpeta" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Nueva carpeta" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Crear nueva carpeta" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Abrir archivo seleccionado" - -#: org/jmol/dialog/Dialog.java:483 -#: org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Guardar" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Guardar archivo seleccionado" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Guardar en:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Actualizar" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Actualizar listado de carpeta" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Subir" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Subir un nivel" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "Aceptar" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Vista previa" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Añadir modelos" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "Esquemático PDB" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"NOTA: Existen posiciones para los hidrógenos amida del esqueleto, pero se ignorarán. Sus posiciones se aproximarán, tal como se hace en un análisis DSSP típico.\n" -"Utiliza {0} si no quieres emplear este método.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"NOTA: Existen posiciones para los hidrógenos amida del esqueleto, y se utilizarán. Los resultados pueden diferir de modo significativo de los de un análisis DSSP típico.\n" -"Utiliza {0} para ignorar dichas posiciones de los hidrógenos.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Ãrabe" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturiano (bable)" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "Azerí" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosnio" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Catalán" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Checo" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Danés" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Alemán" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Griego" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Inglés australiano" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Inglés británico" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Inglés de EE.UU." - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Español" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estonio" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "Vasco" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finés" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Feroés" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Francés" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Frisón" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "Gallego" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Croata" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Húngaro" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armenio" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesio" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italiano" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japonés" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Javanés" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Coreano" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Malayo" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Noruego «BokmÃ¥l»" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Neerlandés" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitano" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polaco" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugués" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Portugués de Brasil" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Ruso" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Esloveno" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbio" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Sueco" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugú" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turco" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uigur" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ucraniano" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "Uzbeko" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Chino simplificado" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Chino tradicional" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Imposible obtener la clase para el campo de fuerza {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "No hay átomos seleccionados -- ¡nada que hacer!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "se minimizarán {0} átomos" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "imposible establecer el campo de fuerza {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "nuevo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "deshacer (Ctrl+Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "rehacer (Ctrl+Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "centrar" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "añadir hidrógenos" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimizar" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "corregir los hidrógenos y minimizar" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "Limpiar" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "guardar archivo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "guardar estado" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "invertir la estereoquímica del anillo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "borrar el átomo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "arrastrar para enlazar" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "arrastrar el átomo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "arrastrar el átomo (y minimizar)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "arrastrar la molécula (`Alt´ para rotarla)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "arrastrar y minimizar la molécula (acoplamiento)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "aumentar la carga" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "disminuir la carga" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "borrar enlace" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "sencillo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "doble" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "triple" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "aumentar el orden" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "disminuir el orden" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "rotar enlace (May.+arrastrar)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "salir del modelado" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Grupo espacial" - -#: org/jmol/popup/JmolGenericPopup.java:770 -msgid "none" -msgstr "No" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Todo" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} procesadores" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB en total" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB máximo" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "no se está capturando" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -msgid "Jmol Script Commands" -msgstr "Instrucciones para Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Manual del ratón" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Traducciones" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Sistema" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Ningún átomo cargado" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Configuraciones" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Elemento" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Modelo o fotograma" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Idioma" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Por nombre de residuo" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Por código HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Orbitales moleculares ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Simetría" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Información del modelo" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Seleccionar ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Los {0} modelos" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Configuraciones ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Colección de {0} modelos" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "{0} átomos" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "{0} enlaces" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "{0} grupos" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "{0} cadenas" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "{0} polímeros" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "Modelo {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Mostrar {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Menú principal" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomoléculas" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolécula {0} ({1} átomos)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "abrir biomolécula {0} ({1} átomos)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "No" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Mostrar sólo lo seleccionado" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Invertir la selección" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Vista" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "Óptima" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Frontal" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Izquierda" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Derecha" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "Top[as in \"view from the top, from above\" - (translators: remove this bracketed part]" -msgstr "Desde arriba" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Desde abajo" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Desde atrás" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -msgid "Axis x" -msgstr "Eje x" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -msgid "Axis y" -msgstr "Eje y" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -msgid "Axis z" -msgstr "Eje z" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -msgid "Axis a" -msgstr "Eje a" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -msgid "Axis b" -msgstr "Eje b" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -msgid "Axis c" -msgstr "Eje c" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "Escenas" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Proteína" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Esqueleto" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Cadenas laterales" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Residuos polares" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Residuos apolares" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Residuos básicos (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Residuos ácidos (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Residuos sin carga" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Ac. nucleicos" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "ADN" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "ARN" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Bases" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "Pares AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "Pares GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "Pares AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "por estructura secundaria" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Grupos “heteroâ€" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Todos los “HETATM†de PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Todo el disolvente" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Todo el agua" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Disolvente excepto agua" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "HETATM excepto agua" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligandos" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Carbohidratos" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Ninguno de los anteriores" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Estilo" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Patrón" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "Esferas CPK" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Bolas y varillas" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Varillas" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Alambre" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Esquemático" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Cordón" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Ãtomos" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "No" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Enlaces" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Sí" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Enlaces de hidrógeno" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Calcular" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "A la cadena lateral" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Al esqueleto" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Enlaces disulfuro" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "A la cadena lateral" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Al esqueleto" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Estructuras" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Cohetes y cintas" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Cintas" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Cohetes" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Hebras" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibración" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vectores" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Espectros" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "RMN de protón" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "RMN de carbono-13" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} píxeles" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Escala {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Estereografía" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Gafas rojo+cian" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Gafas rojo+azul" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Gafas rojo+verde" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Visión bizca (“crossed-eyedâ€)" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Visión paralela (“wall-eyedâ€)" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Etiquetas" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Símbolo del elemento" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Nombre del átomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Número del átomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Posición de la etiqueta" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Centrada sobre el átomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Superior derecha" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Inferior derecha" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Superior izquierda" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Inferior izquierda" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Color" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Patrón" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "por elemento (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "por ubicación alternativa" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "por molécula" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "por carga formal" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "por carga parcial" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Temperatura (relativa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Temperatura (fija)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "por aminoácido" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "por cadena" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "por grupo" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "por monómero" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "por esquema “shapelyâ€" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Heredado" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Negro" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Blanco" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Cian" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Rojo" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Anaranjado" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Amarillo" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Verde" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Azul" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Añil" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violeta" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Salmón" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Aceituna" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Granate" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Gris" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Azul pizarra" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Dorado" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orquídea" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Opaco" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Translúcido" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Fondo" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Superficies" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Ejes" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Caja" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Celda unidad" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Tamaño" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Acercar" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Alejar" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Giro" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Velocidad X" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Velocidad Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Velocidad Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Fotogramas/segundo" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animación" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Modalidad" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Una vez" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palíndromo" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Bucle" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Reproducir" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Detener" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Fotograma siguiente" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Fotograma anterior" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Rebobinar" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Hacia atrás" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Reiniciar" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Mediciones" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Doble clic inicia y finaliza mediciones" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Clic para medir distancia" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Clic para medir ángulo" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Clic para medir torsión (ángulo diedro)" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Clic en dos átomos para mostrar una secuencia en la consola" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Borrar mediciones" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Lista de mediciones" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Distancia en nanómetros" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Distancia en ángstroms" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Distancia en picómetros" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Ãtomo elegido" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Centrar" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identificar" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Etiquetar" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Seleccionar átomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Seleccionar cadena" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Seleccionar elemento" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "Modo de modelado" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Seleccionar grupo" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Seleccionar molécula" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Seleccionar sitio" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Mostrar operación de simetría" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Mostrar" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -msgid "JavaScript Console" -msgstr "Consola JavaScript" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Contenido del archivo" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Cabecera del archivo" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Datos JVXL de isosuperficie" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Datos JVXL de orbital molecular" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Modelo" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientación" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Grupo espacial" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Estado actual" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Archivo" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "Exportar" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Recargar" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Abrir desde PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -msgid "Open local file" -msgstr "Abrir un archivo local" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -msgid "Open URL" -msgstr "Abrir desde URL" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Cargar celdilla completa" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Abrir guión" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "Capturar" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "Capturar oscilación" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "Capturar giro" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "Comenzar la captura" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "Terminar la captura" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "Desactivar la captura" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "Reactivar la captura" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "Velocidad de animación" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "(Des)activar repetición" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Guardar copia de {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Guardar guión con estado" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Guardar guión con historial" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Exportar imagen {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Guardar como archivo PNG/JMOL (imagen+zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Guardar isosuperficie JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Exportar modelo 3D {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Cálculo" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimizar estructura" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Herramienta de modelado" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Extraer datos MOL" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "de puntos" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "de van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "molecular" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "del disolvente (sonda de {0} &)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "accesible al disolvente (vdW + {0} &)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "potencial electrostático molecular (intervalo completo)" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "potencial electrostático molecular (intervalo -0.1 a 0.1)" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Recargar {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Recargar {0} y mostrar {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Recargar + Poliedros" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Oculta" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Punteados" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Grosor en píxeles" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Grosor en ángstroms" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Halos de selección" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Mostrar hidrógenos" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Mostrar mediciones" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Perspectiva" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Colores de Rasmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Acerca de..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "ERROR del compilador de guiones: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "se esperaba un eje x y z" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} no está permitido mientras se muestra un modelo de fondo" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "el número de argumentos no es correcto" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Alguno de los índices de Miller debe ser distinto de cero" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "color [Rojo, Verde, Azul] incorrecto" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "se esperaba un valor lógico" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "se esperaba un valor lógico o un número" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "se esperaba un valor lógico, un número o {0}" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "no es posible fijar el valor" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "se esperaba un color" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "se requiere un nombre de color o de paleta (Jmol, Rasmol)" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "se esperaba una instrucción" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "se requiere {x y z} o $nombre o (expresión atómica)" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "objeto de dibujo no definido" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "final imprevisto de la instrucción de guión" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "se esperaba una (expresión atómica) válida" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "se esperaba una (expresión atómica) o un número entero" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "se esperaba un nombre de archivo" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "no se encuentra el archivo" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "argumentos incompatibles" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "argumentos insuficientes" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "se esperaba un número entero" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "número entero fuera del intervalo ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "el argumento no es válido" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "el orden de parámetros es incorrecto" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "se esperaba una palabra clave" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "no hay datos disponibles de coeficientes de orbitales moleculares" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "Se requiere un índice de orbitales moleculares entre 1 y {0}" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "en este modelo no hay datos disponibles de base o coeficientes de orbitales moleculares" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "no hay datos de ocupación para orbitales moleculares" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "En este archivo sólo hay un orbital molecular" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} requieren que sólo se esté mostrando un modelo" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} requiere que sólo se haya cargado un modelo" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "no hay datos disponibles" - -#: org/jmol/script/ScriptError.java:295 -msgid "No partial charges were read from the file; Jmol needs these to render the MEP data." -msgstr "No se han podido leer las cargas parciales en el archivo; Jmol las necesita para trazar los datos de MEP" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "No hay celda unidad" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "se esperaba un número" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "el número debe ser {0} o {1}" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "número decimal fuera del intervalo ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "se esperaba un nombre de objeto tras el '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "plane expected -- either three points or atom expressions or {0} or {1} or {2}" -msgstr "se esperaba un plano, bien en forma de tres puntos, o bien de expresiones atómicas, o {0}, o {1}, o {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "se esperaba un nombre de propiedad" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "no se ha encotrado el grupo espacial {0}" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "se esperaba un texto entre comillas" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "se esperaba un texto entre comillas o un identificador" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "se han indicado demasiados puntos de rotación" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "demasiados niveles de guión" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "no se reconoce la propiedad de átomo" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "no se reconoce la propiedad de enlace" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "no se reconoce la instrucción" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "no se reconoce la expresión en ejecución" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "no se reconoce el objeto" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "no se reconoce el parámetro {0}" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "no se reconoce el parámetro {0} en el guión de estado (defínase de todos modos)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "no se reconoce el parámetro SHOW; utilice {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "¿qué escribir? {0} o {1} “nombre de archivoâ€" - -#: org/jmol/script/ScriptError.java:412 -#: org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "ERROR en guión: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "mostrar lo guardado: {0}" - -#: org/jmol/script/ScriptEval.java:3277 -#: org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "se han borrado {0} átomos" - -#: org/jmol/script/ScriptEval.java:3995 -#: org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} enlaces de hidrógeno" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "se ha creado el archivo {0}" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "para reanudarlo, escribe: &{0}" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "contexto no válido para {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "se esperaba {número número número}" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "se esperaba el fin de una expresión" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "se esperaba un identificador o una identificación de residuo" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "identificación de átomo no válida" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "identificador de cadena no válido" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "palabra clave {0} no válida" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "identificación de modelo no válida" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "falta END para {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "se esperaba un número o un nombre de variable" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "se esperaba una identificación de residuo (ALA, AL?, A*)" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "se esperaba {0}" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "no se esperaba {0}" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "no se reconoce la palabra clave {0} en la expresión" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "no se reconoce la palabra clave {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "se han modificado {0} cargas" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "se han añadido {0} puntales" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "Nota: activados los bucles usando {0}" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "Demora de animación basada en {0}" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "se han borrado {0} conexiones" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} enlaces nuevos; {1} modificados" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Atención: en este contacto están implicados varios modelos" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Pulsa para un menú..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Miniaplicación Jmol, versión {0} {1}.\n" -"\n" -"Un proyecto OpenScience.\n" -"\n" -"Para más información, visita http://www.jmol.org" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Error de archivo:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "asignar o añadir átomo o enlace (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "abrir el menú contextual reciente (pulsar en el logotipo Jmol)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "borrar átomo (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "borrar enlace (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "ajustar el plano trasero de sección (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "mover un átomo (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "mover el objeto dibujado (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "mover un punto del objeto dibujado (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "mover una etiqueta (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "mover un átomo y minimizar la molécula (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "mover y minimizar la molécula (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "mover los átomos seleccionados (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "arrastrar átomos en la dirección Z (es necesario {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simular multitáctil usando el ratón)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "trasladar el punto de navegación (requiere {0} o {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "elige un átomo" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "conectar átomos (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "elige un punto en una isosuperficie (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "elige una etiqueta para cambiar su visibilidad (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "pick an atom to include it in a measurement (after starting a measurement or after {0})" -msgstr "elige un átomo para incluirlo en una medición (tras haber comenzado una medición o tras {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "elige un punto o un átomo hacia el que navegar (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "elige un punto de un objeto dibujado (para mediciones) (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "abrir el menú contextual completo" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "restaurar (cuando se pulse fuera del modelo)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "rotar" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "rotar la rama alrededor del enlace (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "rotar los átomos seleccionados (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "rotar en Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "rotación alrededor de Z (desplazamiento horizontal del ratón) o tamaño (desplazamiento vertical del ratón)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "seleccionar un átomo (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "seleccionar y arrastrar átomos (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "deseleccionar este grupo de átomos (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "cancelar la selección (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "añadir este grupo de átomos a la selección (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "(des)activar la selección (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "if all are selected, unselect all, otherwise add this group of atoms to the set of selected atoms (requires {0})" -msgstr "si están todos seleccionados, eliminar la selección; si no, añadir este grupo de átomos a la selección (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "elige un átomo para iniciar o concluir una medición" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "ajustar el plano delantero de sección (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "desplazar los planos de sección (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "tamaño (a lo largo del borde derecho de la ventana)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "pulsa en dos puntos para definir un eje de giro antihorario (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "pulsa en dos puntos para definir un eje de giro horario (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "detener movimiento (requiere {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "girar el modelo (deslizar, deteniendo el movimiento al tiempo que se suelta el botón)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "trasladar" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "tamaño" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "elige un átomo más para que el modelo gire en torno a un eje" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "elige en orden dos átomos para que el modelo gire en torno a un eje" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "elige un átomo más para mostrar la relación de simetría" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "pick two atoms in order to display the symmetry relationship between them" -msgstr "elige en orden dos átomos para mostrar la relación de simetría entre ambos" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "cancelado" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "{0} guardado(s)" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Definiendo el archivo de registro como {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Imposible establecer la ruta del archivo de registro." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} átomos ocultos" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} átomos seleccionados" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Arrastra para mover la etiqueta" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "no es posible acceder al portapapeles; para ello debe utilizarse la miniaplicación firmada" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "se han añadido {0} hidrógenos" - -#~ msgid "Hide Symmetry" -#~ msgstr "Ocultar simetría" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Cargando Jmol..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} segundos" - -#~ msgid "Java version:" -#~ msgstr "Versión de Java:" - -#~ msgid "1 processor" -#~ msgstr "1 procesador" - -#~ msgid "unknown processor count" -#~ msgstr "nº de procesadores desconocido" - -#~ msgid "Java memory usage:" -#~ msgstr "Memoria usada por Java:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB libres" - -#~ msgid "unknown maximum" -#~ msgstr "máximo desconocido" - -#~ msgid "Open file or URL" -#~ msgstr "Abrir archivo o URL" diff --git a/qmpy/web/static/js/jsmol/idioma/et.po b/qmpy/web/static/js/jsmol/idioma/et.po deleted file mode 100644 index 8806f3b0..00000000 --- a/qmpy/web/static/js/jsmol/idioma/et.po +++ /dev/null @@ -1,2575 +0,0 @@ -# Copyright (C) 2005 -# This file is distributed under the same license as the Jmol package. -# Ivo Sarak , 2005. -# -msgid "" -msgstr "" -"Project-Id-Version: Jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Ivo Sarak \n" -"Language-Team: Estonian \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Country: Estonia\n" -"X-Poedit-Language: Estonian\n" -"X-Poedit-Basepath: ../../../..\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Fail" - -#: org/jmol/console/GenericConsole.java:92 -msgid "&Close" -msgstr "" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Abi" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "Ot&si..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Ava" - -#: org/jmol/console/ScriptEditor.java:143 -msgid "Font" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Soome" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "uus" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "keskel" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimeeri" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "puhas" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "salvesta fail" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "üksik" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "topelt" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "kolmekordne" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Ei ühtegi" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Kõik" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -msgid "Jmol Script Commands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Hiire Õpetus" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Tõlked" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Süsteem" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Ei ühtegi aatomit" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Element" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Jäänuse nime järgi" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Ei ühtegi" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Kuva Ainult Valitud" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Vaheta Valik" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Teljed" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Teljed" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Teljed" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Teljed" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Teljed" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Teljed" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Proteiin" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Selgroog" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Külgmised Ketid" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Polaarsed jäänused" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Mittepolaarsed jäänused" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Lihtsad jäänused (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Happelised jäänused (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Mittelaetud jäänused" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Tuuma" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Alused" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT paarid" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC paarid" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU paarid" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Teisene Struktuur" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Süsinikhüdraat" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Skeem" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK Spacefill" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Pall ja Kepp" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Kepid" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Sõrestik" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Pildijada" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Jälg" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Aatomid" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "välja" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Sidemed" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Sees" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Vesiniku Sidemed" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Arvuta" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Pane H-Sidemed Külgmisse Ketti" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Pane H-Sidemed Selgroogu" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Disulfiidi Sidemed" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Pane SS-Sidemed Külgmisse Ketti" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Pane SS-Sidemed Selgroogu" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Struktuurid" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Ribad" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektorid" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pikselit" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Skaala {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Punane+Sinine klaasid" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Punane+Roheline klaasid" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Rist-silmne vaatamine" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Otse vaatamine" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Sildid" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Koos Elementide Sümbolitega" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Koos Aatomite Nimetustega" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Koos Aatomite Numbritega" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Pane Aatomile Silt" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Tsentreeritud" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Ãœlemine Parem" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Alumine Vasak" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Ãœlemine Vasak" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Alumine Vasak" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Värv" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Skeemi järgi" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Element (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Formaalne Laeng" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Osaline Laeng" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Kett" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Omane" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Must" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Valge" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Rohekassinine" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Punane" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Oraanz" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Kollane" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Roheline" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Sinine" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violet" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Kollane" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Oliivroheline" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Punapruun" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Sinine" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Kuldne" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orchid" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Taust" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Teljed" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Boundbox" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Suurenda" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Suurenda sisse" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Vähenda" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Spinn" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Määra X Kiirus" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Määra Y Kiirus" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Määra Z Kiirus" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Määra FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Animatsiooni Reziim" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Mängi Ãœks Kord" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindroom" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Tagasiside" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Mängi" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Seiska" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Järgmine Kaader" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Eelmine Kaader" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Keri Tagasi" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -msgid "JavaScript Console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Mudel" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Praegune olek" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Fail" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Lae uuesti" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -msgid "Open local file" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Ava" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Arvutus" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Peida" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Punktiir" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Pikseli Laius" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Angstromi Laius" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Näita Vesinikke" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Näita Mõõted" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Perspetkiivi Sügavus" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol Värvid" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Faili viga:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "pööramine" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "tõlgi" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" diff --git a/qmpy/web/static/js/jsmol/idioma/eu.po b/qmpy/web/static/js/jsmol/idioma/eu.po deleted file mode 100644 index 33eeb545..00000000 --- a/qmpy/web/static/js/jsmol/idioma/eu.po +++ /dev/null @@ -1,2628 +0,0 @@ -# Basque translation for jmol -# Copyright (c) 2012 Rosetta Contributors and Canonical Ltd 2012 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2012. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 23:44+0000\n" -"Last-Translator: Nicolas Vervelle \n" -"Language-Team: Basque \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Elementua?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol script kontsola" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Fitxategia" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Itxi" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Laguntza" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Bilatu..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Komandoak" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "&Funtzio matematikoak" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Ezarri ¶metroak" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Gehiago" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Editorea" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Egoera" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Exekutatu" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Garbitu irteera" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Garbitu sarrera" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Historia" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Kargatu" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"sakatu KTRL+ENTER lerro berrirako edo kopiatu ereduaren datuak eta sakatu " -"Kargatu" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Mezuak hemen agertuko dira. Sartu komandoak beheko koadroan. Klikatu " -"kontsolako Laguntza menu-elementua lineako laguntza lortzeko. Laguntza hau " -"arakatzailearen leiho berri batean agertuko da." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol script editorea" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Kontsola" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Ireki" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Aurrealdea" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Script-a" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Egiaztatu" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Igo" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Pausoa" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pausatu" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Berrekin" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Gelditu" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Garbitu" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Itxi" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Fitxategia edo URLa:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Irudi-mota" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG kalitatea ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG konpresioa ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG kalitatea ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Bai" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Ez" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "{0} fitxategia gainidatzi nahi duzu?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Abisua" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Fitxategi guztiak" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Utzi" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Xehetasunak" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Direktorioa" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Ireki hautatutako direktorioa" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Atributuak" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Aldatze-data" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Fitxategi generikoa" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Izena" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Fitxategi-izena:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Tamaina" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Mota honetako fitxategiak:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Mota" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Laguntza" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Fitxategi-hautatzailearen laguntza" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Etxea" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Zerrenda" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Begiratu hemen:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Errorea karpeta berria sortzean" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Karpeta berria" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Sortu karpeta berria" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Ireki hautatutako fitxategia" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Gorde" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Gorde hautatutako fitxategia" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Gorde hemen:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Eguneratu" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Eguneratu direktorio-zerrenda" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Gora" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Igo maila bat" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "Ados" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Aurreikusi" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Gehitu ereduak" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arabiera" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturiera" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "Azerbaijanera" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosniera" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Katalana" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Txekiera" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Daniera" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Alemana" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Greziera" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Australiako ingelesa" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Erresuma Batuko ingelesa" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "AEBetako ingelesa" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Espainiera" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estoniera" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "Euskara" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finlandiera" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Faroera" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Frantsesa" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Frisiera" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "Galiziera" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Kroaziera" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Hungariera" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armeniera" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesiera" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italiera" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japoniera" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Javera" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Koreera" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Malaysiera" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Bokmal norvegiera" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Nederlandera" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Okzitaniera" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Poloniera" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugesa" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Brasilgo portugesa" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Errusiera" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Esloveniera" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbiera" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Suediera" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamilera" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turkiera" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uigurrera" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukrainera" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "Uzbekera" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Txinera sinplifikatua" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Txinera tradizionala" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Ezin izan da {0} indar-eremuarentzako klasea eskuratu" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Ez dago atomorik hautatuta -- egitekorik ez!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomo minimizatuko dira." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "ezin izan da {0} eremua konfiguratu" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "berria" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "desegin (Ktrl+Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "berregin (Ktrl+Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "erdia" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "gehitu hidrogenoak" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimizatu" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "garbitu" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "gorde fitxategia" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "gorde egoera" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "alderantzikatu eraztunaren estereokimika" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "ezabatu atomoa" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "arrastatu loturara" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "arrastatu atomoa" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "arrastatu atomoa (eta minimizatu)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "handitu karga" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "txikiagotu karga" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "ezabatu lotura" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "bakuna" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "bikoitza" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "hirukoitza" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "biratu lotura (SHIFT eta arrastatu)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "irten modelatze tresna-jokoa modutik" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Bat ere ez" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Guztiak" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} prozesatzaile" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "guztira {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB gehienez" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol script kontsola" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Itzulpenak" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Sistema" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Atomorik ez kargatuta" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Konfigurazioak" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Elementua" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Eredua/Markoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Hizkuntza" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Hondarraren izenaren arabera" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "HETATMen arabera" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Orbital molekularrak ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Simetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Ereduaren informazioa" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Hautatu ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "{0} ereduak" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "({0}) konfigurazio" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "{0} ereduren bilduma" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atomoak: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "loturak: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "taldeak: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "kateak: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polimeroak: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "{0} eredua" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "{0} ikuspegia" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Menu nagusia" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolekulak" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "{0} biomolekula ({1} atomo)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "kargatu {0} biomolekula ({1} atomo)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Bat ere ez" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Bistaratu hautatutakoak soilik" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Alderantzikatu hautapena" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Ikusi" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Aurrealdea" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Ezkerra" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Eskuina" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Goiko aldea" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Behealdea" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Atzealdea" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Ardatzak" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Ardatzak" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Ardatzak" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Ardatzak" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Ardatzak" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Ardatzak" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Proteina" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Bizkarrezurra" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Albo-kateak" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Hondar polarrak" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Hondar apolarrak" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Hondar basikoak (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Hondar azidoak (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Kargarik gabeko hondarrak" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nukleiko" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Baseak" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT pareak" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC pareak" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU pareak" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Egitura sekundarioa" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "PDB \"HETATM\" guztiak" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Disolbatzaile guztiak" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Guztia ura" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Disolbatzaile ez-akuosoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "HETATM ez-akuosoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Lotugaia" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Karbohidratoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Hauetako bat ere ez" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Estiloa" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Eskema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Bolak eta makilak" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Makilak" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Burdin-haria" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Marrazkia" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Arrastoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomoak" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Desaktibatuta" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "%{0} van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Loturak" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Aktibatuta" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Hidrogeno-loturak" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Kalkulatu" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Ezarri H-loturak albo-katean" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Ezarri H-loturen bizkarrezurrean" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Disulfuro-loturak" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Ezarri SS-loturak albo-katean" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Ezarri SS-loturak bizkarrezurrean" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Egiturak" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Xingolak" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Bibrazioa" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Bektoreak" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Espektroa" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pixel" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "{0} eskala" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Estereografikoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Gorria+zian betaurrekoak" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Gorria+urdina betaurrekoak" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Gorria+berdea betaurrekoak" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Etiketak" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Elementuaren sinboloarekin" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Atomoaren izenarekin" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Atomo zenbakiarekin" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Labelaren kokapena atomoan" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Erdian" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Goian eskuinean" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Behean eskuinean" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Goian ezkerrean" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Behean ezkerrean" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Kolorea" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Eskemaren arabera" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Elementua (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Kokapen alternatiboa" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molekula" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Karga formala" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Karga partziala" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Tenperatura (Erlatiboa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Tenperatura (Finkoa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminoazidoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Katea" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Taldea" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomeroa" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Heredatu" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Beltza" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Zuria" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Ziana" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Gorria" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Laranja" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Horia" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Berdea" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Urdina" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Anila" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Bioleta" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Izokina" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Oliba" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Granatea" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Grisa" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Arbel-urdina" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Urrea" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orkidea" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Bihurtu opako" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Bihurtu garden" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Atzeko planoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Gainazalak" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Ardatzak" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Gelaxka-unitatea" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Zooma" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Handiagotu" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Txikiagotu" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Biratu" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Ezarri X proportzioa" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Ezarri Y proportzioa" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Ezarri Z proportzioa" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Ezarri FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animazioa" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Animazio-modua" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Erreproduzitu behin" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindromoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Begizta" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Erreproduzitu" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Gelditu" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Hurrengo markoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Aurreko markoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Birbobinatu" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Alderantziz" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Berrabiarazi" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Neurketak" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Klik bikoitzak neurketa guztiak hasi eta bukatzen ditu" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Klikatu distantzia neurtzeko" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Klikatu angelua neurtzeko" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Klikatu bihurdura (angelu diedroa) neurtzeko" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Klikatu bi atomo kontsolan sekuentzia bat bistaratzeko" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Ezabatu neurketak" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Zerrendatu neurketak" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Distantzia nanometrotan" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Distantzia Angstrometan" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Distantzia pikometroetan" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Erdian" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identitatea" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Etiketa" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Hautatu atomoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Hautatu katea" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Hautatu elementua" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "irten modelatze tresna-jokoa modutik" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Hautatu taldea" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Hautatu molekula" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Hautatu lekua" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Erakutsi simetria-eragiketa" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Erakutsi" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol script kontsola" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Fitxategiaren edukiak" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Fitxategiaren goiburua" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Isoazaleraren JVXL datuak" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Orbital molekularraren JVXL datuak" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Eredua" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientazioa" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Uneko egoera" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Fitxategia" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Birkargatu" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Ireki PDBtik" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Ireki hautatutako fitxategia" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Ireki" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Kargatu gelaxka-unitate osoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Ireki scripta" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Gorde {0}(r)en kopia" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Gorde scripta egoerarekin" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Gorde scripta historiarekin" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Esportatu {0} irudia" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Gorde guztia JMOL fitxategi bezala (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Gorde JVXL isogainazala" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Esportatu {0} 3Dko eredua" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Kalkulua" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimizatu egitura" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Modelatze tresna-jokoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Erauzi MOL datuak" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Puntu gainazala" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "van der Waals gainazala" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Gainazal molekularra" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Disolbatzaile-gainazala ({0}-Angstromeko zunda)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Birkargatu {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Birkargatu {0} + erakutsi {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Ezkutatu" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Pixel zabalera" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Erakutsi hidrogenoak" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Erakutsi neurketak" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Perspektiba sakonera" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol koloreak" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Honi buruz..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "script-konpilatzailearen ERROREA: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "x y z ardatza espero zen" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "argumentu kopuru okerra" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Miller indize guztiek ezin dute zero izan" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "[R,G,B] kolore okerra" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "boolearra espero zen" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "boolearra edo zenbakia espero zen" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "boolearra, zenbakia edo {0} espero zen" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "ezin da balioa ezarri" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "kolorea espero zen" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "kolore bat edo paleta-izen bat (Jmol, Rasmol) behar da" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "komandoa espero zen" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "fitxategi-izena espero zen" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "ez da aurkitu fitxategia" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "argumentu bateraezinak" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "argumentu gutxiegi" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "osokoa espero zen" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "osokoa ({0} - {1} tartetik kanpo)" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "argumentu baliogabea" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "parametroen ordena baliogabea" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "gako-hitza espero zen" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "ez dago orbital molekularren koefizienterik eskuragarri" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "1 eta {0} arteko orbital molekular indizea behar da" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Orbital molekular bakarra dago eskuragarri fitxategi honetan" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Ez dago daturik eskuragarri" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Ez da karga partzialik irakurri fitxategitik; Jmol-ek MEP datuak " -"errendatzeko beharrezkoak dira." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Unitate-gelaxkarik ez" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "zenbakia espero zen" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "zenbakiak ({0} edo {1}) izan behar du" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "zenbaki hamartarra ({0} - {1}) tartetik kanpo" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "objektu-izena espero zen '$'ren ondoren" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "propietate-izena espero zen" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "kakotx arteko katea espero zen" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "kakotx arteko katea edo identifikatzailea espero zen" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "errotazio-puntu gehiegi zehaztu dira" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "script-maila gehiegi" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "atomoaren propietate ezezaguna" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "loturaren propietate ezezaguna" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "komando ezezaguna" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "objektu ezezaguna" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "{0} parametro ezezaguna Jmol egoera-scriptean (ezarri hala ere)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "SHOW parametro ezezaguna -- erabili {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "zer idatzi? {0} ala {1} \"fitxategi-izena\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "script ERROREA: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atomo ezabatuta" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} hidrogeno-lotura" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "{0} fitxategia sortuta" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "{0}-(r)entzako testuinguru baliogabea" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ zenbakia zenbakia zenbakia } espero zen" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "identifikatzailea edo hondarraren zehaztapena espero zen" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "atomoaren zehaztapen baliogabea" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "katearen zehaztapen baliogabea" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "ereduaren zehaztapen baliogabea" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "zenbakia edo aldagai-izena espero zen" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} espero zen" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "ez zen {0} espero" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, fuzzy, java-format -msgid "{0} struts added" -msgstr "{0} hidrogeno gehituta" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} lotura ezabatuta" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} lotura berri; {1} aldatuta" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Klikatu menurako..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol appletaren {0} {1} bertsioa.\n" -"\n" -"OpenScience proiektu bat.\n" -"\n" -"Informazio gehiagorako bisitatu http://www.jmol.org" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Fitxategi-errorea:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "ezabatu atomoa ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "ezabatu lotura ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "mugitu atomoa ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "mugitu etiketa ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "mugitu atomoa eta minimizatu molekula ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "mugitu eta minimizatu molekula ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "mugitu hautatutako atomoak ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "arrastatu atomoak Z norabidean ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "aukeratu atomo bat" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "konektatu atomoak ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "aukeratu etiketa bat ezkutatu/bistaratu txandakatzeko ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "leheneratu (eredutik kanpora klikatzean)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "biratu" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "biratu adarra loturaren inguruan ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "biratu hautatutako atomoak ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "biratu Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"biratu Z (saguaren mugimendu horizontala) edo egin zoom (saguaren mugimendu " -"bertikala)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "hautatu atomo bat ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "hautatu eta arrastatu atomoak ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "desautatu atomo-talde hau ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "gehitu atomo-talde hau hautatutako atomo-sortara ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "txandakatu hautapena ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"guztiak hautatuta badaude, desautatu guztiak, bestela gehitu atomo-talde hau " -"hautatutako atomo-sortara ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "aukeratu atomo bat neurketa bat hasi edo bukatzeko" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "zooma (leihoaren eskuineko ertzean zehar)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"klikatu bi puntutan ardatzaren inguruan ezkerrera biratzeko ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"klikatu bi puntutan ardatzaren inguruan eskuinera biratzeko ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "gelditu mugimendua ({0} behar du)" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "translazioa" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "zooma" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "aukeratu beste atomo bat eredua ardatz baten inguruan biratzeko" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "aukeratu bi atomo eredua ardatz baten inguruan biratzeko" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "aukeratu beste atomo bat simetria-erlazioa bistaratzeko" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "aukeratu bi atomo beren arteko simetria-erlazioa bistaratzeko" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "{0} egunkari-fitxategia ezartzen" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Ezin da egunkari-fitxategiaren bidea ezarri." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} atomo ezkutatuta" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atomo hautatuta" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Arrastatu etiketa mugitzeko" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} hidrogeno gehituta" - -#~ msgid "Hide Symmetry" -#~ msgstr "Ezkutatu simetria" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Jmol appleta kargatzen..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} segundo" - -#~ msgid "Java version:" -#~ msgstr "Java bertsioa:" - -#~ msgid "1 processor" -#~ msgstr "Prozesatzaile 1" - -#~ msgid "unknown processor count" -#~ msgstr "prozesatzaile kopuru ezezaguna" - -#~ msgid "Java memory usage:" -#~ msgstr "Java memoria erabilera:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB libre" - -#~ msgid "unknown maximum" -#~ msgstr "maximo ezezaguna" - -#~ msgid "Open file or URL" -#~ msgstr "Ireki fitxategia edo URLa" diff --git a/qmpy/web/static/js/jsmol/idioma/fi.po b/qmpy/web/static/js/jsmol/idioma/fi.po deleted file mode 100644 index b03f52b5..00000000 --- a/qmpy/web/static/js/jsmol/idioma/fi.po +++ /dev/null @@ -1,2647 +0,0 @@ -# Finnish translation for jmol -# Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2008. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Johannes Pernaa \n" -"Language-Team: Finnish \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Country: Finland\n" -"X-Poedit-Language: Finnish\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Alkuaine?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol-konsoli" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Tiedosto" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Sulje" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Ohje" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Etsi..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Komennot" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Matematiikka &Funktiot" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Aseta &Parametrit" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Lisää" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Editori" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Tila" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Aja" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Tyhjennä ulostulo" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Tyhjennä sisääntulo" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Historia" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Lataa" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"luo uusi rivi painamalla CTRL-ENTER tai liitä mallin tiedot ja paina Lataa" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Ilmoitukset ilmestyvät tähän. Kirjoita komennot laatikkoon alapuolelle. On-" -"line ohjeet löytyvät konsolin Ohje-valikosta, jotka ilmestyvät uuteen " -"selainikkunaan." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol-editori" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konsoli" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Avaa" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Edestä" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Komentosarja" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Tarkista" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Ylös" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Askel" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Tauko" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Jatka" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Pysäytä" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Tyhjennä" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Sulje" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Tiedosto tai URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Kuvatyyppi" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG laatu ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG pakkaaminen ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG laatu ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Kyllä" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Ei" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Korvataanko tiedosto {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Varoitus" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Kaikki tiedostot" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Lopeta" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Keskeytä tiedostovalitsimen dialogi" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Yksityiskohdat" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Kansio" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Avaa valittu kansio" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Attribuutit" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Muokattu" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Geneerinen tiedosto" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Nimi" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Tiedoston nimi:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Koko" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "TIedostotyyppi:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Tyyppi" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Ohje" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Tiedostovalitsimen ohje" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Etusivulle" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Lista" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Katso" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Uuden kansion luominen epäonnistui" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Uusi kansio" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Luo uusi kansio" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Avaa valittu tiedosto" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Tallenna" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Tallenna valittu tiedosto" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Tallenna kansioon:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Päivitä" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Päivitä kansiolista" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Ylös" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Yksi taso ylöspäin" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Esikatselu" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Lisää malleja" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"HUOMIO: Proteiinirungon amidien vedyt paikat ovat läsnä, mutta ne jätetään " -"huomioimatta. Niiden paikat approksimoidaan kuten standardi DSSP-" -"analyysissä.\n" -"Käytä {0}, niin tätä approksimaatioita ei käytetä.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"HUOMIO: Proteiinirungon amidien vedyt ovat läsnä ja ne huomioidaan. Tulokset " -"voivat vaihdella merkittävästi standardi DSSP-analyysistä.\n" -"Käytä {0}, niin vetyjen asennot jätetään huomioimatta.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arabia" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturia" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosnia" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Katalonia" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Tsekki" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Tanska" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Saksa" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Kreikka" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Australian Englanti" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Brittienglanti" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Amerikanenglanti" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Espanja" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Viro" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Suomi" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Fääri" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Ranska" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Kroatia" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Unkari" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armenia" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesia" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italia" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japani" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Jaava" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Korea" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Kirjanorja" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Hollanti" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Oksitaani" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Puola" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugali" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Portugali (Bra)" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Venäjä" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Slovenia" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbia" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Ruotsi" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turkki" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uiguuri" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukraina" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Kiina (yksinkertainen)" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Kiina (perinteinen)" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Voimakentän luokkaa ei voida hakea. {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Atomeja ei valittu -- ei mitään tehtävänä!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomit minimoidaan." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "Voimakenttää ei voitu asettaa. {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "uusi" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "kumoa (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "toista (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "keskitä" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "lisää vedyt" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "optimoi rakenne" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "sovita vedyt ja optimoi rakenne" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "tyhjennä" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "tallenna tiedosto" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "tallenna tila" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "käännä renkaan stereokemia" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "poista atomi" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "liikuta atomia ja luo sidos" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "liikuta atomia" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "liikuta atomia ja optimoi rakenne" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "liikuta ja optimoi molekyyli (telakointi)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "lisää varaus" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "vähennä varaus" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "poista sidos" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "yksinkertainen sidos" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "kaksoissidos" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "kolmoissidos" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "lisää sidoksen kertalukua" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "vähennä sidoksen kertalukua" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "pyöritä sidosta (SHIFT - LIIKUTA)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "poistu mallityökalutilasta" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Avaruusryhmä" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Ei mitään" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Kaikki" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} prosessoria" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB totaalinen" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB maksimi" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol-konsoli" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Hiirimanuaali" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Käännökset" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Systeemi" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Atomeja ei ladattu" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Konfiguraatiot" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Alkuaine" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Malli/Ruutu" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Kieli" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Lyhenteen mukaan" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Heteroatomin mukaan" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Molekyyliorbitaalit ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Symmetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Mallin tiedot" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Valitse ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Kaikki {0} mallit" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Konfiguraatiot ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Mallivalikoima {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atomit: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "sidokset: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "ryhmät: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "ketjut: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polymeerit: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "malli {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Näkymä {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Päävalikko" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolekyylit" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolekyyli {0} ({1} atomit)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "lataa biomolekyyli {0} ({1} atomit)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Ei mitään" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Näytä vain valitut" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Käännä valitut" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Näkymät" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Edestä" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Vasen" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Oikea" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Ala" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Takaa" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Akselit" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Akselit" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Akselit" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Akselit" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Akselit" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Akselit" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Proteiini" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Proteiinirunko" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Sivuketjut" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Polaariset" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Poolittomat" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Emäksiset (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Happamet (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Varauksettomat" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nukleiinihappo" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Emäkset" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT emäsparit" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC emäsparit" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU emäsparit" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Sekundäärirakenne" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Heteroatomi" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Kaikki PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Kaikki liuottimet" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Kaikki vesi" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Vedetön liuotin" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "Vedetön HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligandi" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Hiilihydraatti" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Ei mikään ylläolevista" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Tyylit" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Mallit" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "Kalotti (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Pallotikku" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Tikku" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Rautalanka" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Sarjakuva" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Jälki" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomit" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Pois" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Sidokset" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Päällä" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Vetysidokset" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Laske" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Aseta H-sidokset sivuketjuihin" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Aseta H-sidokset proteiinirunkoon" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Disulfidisidokset" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Aseta SS-sidokset sivuketjuihin" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Aseta SS-sidokset proteiinirunkoon" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Rakenteet" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Raketti (sarjakuva)" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Nauha" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Raketti" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Helminauha" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Värähtelyt" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektorit" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pikselit" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Koko {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereografiikka" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Punainen+sinivihreä" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Punainen+sininen" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Punainen+vihreä" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Cross-eyed katselu" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Wall-eyed katselu" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Nimeäminen" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Kemiallinen merkki" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Atomin nimi" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Atominumero" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Etiketin paikka" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Keskitetty" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Ylhäällä oikealla" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Alhaalla oikealla" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Ylhäällä vasemmalla" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Alhaalla vasemmalla" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Värit" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Mallin mukaan" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Alkuaine (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Vaihtoehtoinen paikka" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molekyyli" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Muodollinen varaus" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Osittaisvaraus" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Lämpötila (Suhteellinen)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Lämpötila (Sovitettu)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminohappo" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Ketju" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Ryhmä" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomeeri" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Muodokas" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Peritty" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Musta" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Valkoinen" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Sinivihreä" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Punainen" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Oranssi" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Keltainen" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Vihreä" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Sininen" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigosini" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violetti" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Lohenpunainen" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Oliivinvihreä" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Punaruskea" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Harmaa" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Siniharmaa" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Kultainen" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orkidea" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Kiinteä" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Läpinäkyvä" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Taustaväri" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Pinnat" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Akselit" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Rajoitelaatikko" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Alkeiskoppi" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Muuta kokoa" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Zoomaa lähemmäs" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Zoomaa kauemmas" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Pyörittäminen" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Aseta X asteet" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Aseta Y asteet" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Aseta Z asteet" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Aseta FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animaatio" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Animaatiotila" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Toista kerran" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindromi" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Silmukka" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Toista" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Lopeta" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Seuraava ruutu" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Edellinen ruutu" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Kelaa taaksepäin" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Toista taaksepäin" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Käynnistä uudelleen" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Mittaustyökalut" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Tuplaklikkaus: Mittaa etäisyyksiä tai kulmia" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Etäisyys" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Kulma" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Torsiokulma" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Näytä sekvenssi konsolissa aktivoimalla kaksi atomia" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Poista mittaukset" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Listaa mittaukset" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Etäisyys nanometreissä" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Etäisyys Ã¥ngtrömeissä" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Etäisyys pikometreissä" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Aseta poiminta" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Keskitä" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identiteetti" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Nimeä" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Valitse atomi" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Valitse ketju" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Valitse alkuaine" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "poistu mallityökalutilasta" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Valitse ryhmä" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Valitse molekyyli" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Valitse sijainti" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Näytä symmetriaoperaatio" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Näytä" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol-konsoli" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Tiedoston sisällys" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Tiedoston otsikko" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "JVXL-pinnan tiedot" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "JVXL-molekyyliorbitaalin tiedot" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Malli" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientaatio" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Avaruusryhmä" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Nykyinen tila" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Tiedosto" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Lataa uudelleen" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Avaa PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Avaa valittu tiedosto" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Avaa" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Lataa koko alkeiskoppi" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Avaa komentosarja-tiedosto (stp)" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Tallenna {0} kopio" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Tallenna komentosarja ja tila" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Tallenna komentosarja ja historia" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Vie tiedostoon {0} kuvana" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Tallenna kaikki JMOL-tiedostona (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Tallenna JVXL-pinta" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Vie tiedostoon {0} 3D-mallina" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Laskenta" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimoi rakenne" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Mallinnustyökalut" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Eristä MOL-data" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Pistepinta" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "van der Waals-pinta" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Molekyylipinta" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Liuotinpinta ({0}-Ã¥ngströmiä)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Liuottimen vaikutuspinta (VDW + {0} Ã¥ngströmiä)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Lataa uudelleen {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Lataa uudelleen {0} + näytä {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Lataa uudelleen + Polyhedra" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Piilota" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Pilkullinen" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Leveys pikseleinä" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Leveys Ã¥ngströmeinä" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Valinnan halovisualisointi" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Näytä vedyt" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Näytä mittaukset" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Syvyysnäkökulma" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol värit" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Tietoja..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "VIRHE komentosarjakääntäjässä: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "edellytetään x- y- z-akselit" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} ei sallittu, jos taustakuvamalli näytetään" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "huono argumenttimäärä" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Kaikki Miller indeksit eivät voi olla nollia." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "huono [R,G,B] väri" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "edellytetään boolean" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "edellytetään boolean tai numero" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "edellytetään boolean, numero, tai {0}" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "edellytetään väri" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "edellytetään värin tai paletin nimi (Jmol, Rasmol)" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "edellyttää komentoa" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "edellytetään {x y z} tai $name tai (atom expression)" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "piirrettyä objektia ei ole määritelty" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "odottamaton lopetus tai komentosarja" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "edellytetään pätevä (atom expression)" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "edellytetään (atom expression) tai kokonaisluku" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "edellytetään tiedoston nimi" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "tiedostoa ei löydy" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "yhteensopimaton argumentti" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "puutteellinen argumentti" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "edellytetään kokonaisluku" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "kokonaisluku alueen ({0} - {1}) ulkopuolelta" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "kelpaamaton argumentti" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "kelpaamaton parametrien järjestys" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "edellytetään avainsana" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "MO-kerroindataa ei ole saatavilla" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "edellytetään MO-indeksi väliltä 1 - {0}" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "MO-kantafunktio/kerroin-dataa ei ola saatavilla tälle ruudulle" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "MO hallintaan tarvittavaa dataa ei ole saatavilla" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "TIedosto sisältää vain yhden molekyyliorbitaalin" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} edellyttää vain yhden mallin näyttämistä" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} edellyttää vain yhden mallin lataamista" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Dataa ei ole saatavilla" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Osittaisvarauksia ei luettu tiedostosta; Jmol tarvitsee näitä MEP-datan " -"renderointiin." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Ei alkeiskoppia" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "edellyttää numeroa" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "numeron täytyy olla välillä ({0} tai {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "desimaali välin ({0} - {1}) ulkopuolella" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "objektin nimi edellytetään '$' jälkeen" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"edellytetään taso -- joko kolme pistettä tai atom expressions tai {0} tai " -"{1} tai {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "edellytetään ominaisuuksien nimi" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "avaruusryhmää {0} ei löytynyt." - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "edellytetään noteerattu merkkijono" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "edellytetään noteerattu merkkijono tai tunnistin" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "liian monta pyörimistasoa määritelty" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "liian monta komentosarjatasoa" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "tunnistamaton atomiominaisuus" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "tunnistamaton sidosominaisuus" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "tunnistamaton komento" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "tunnistamaton runtime-ilmaisu" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "tunnistamaton objekti" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "tunnistamaton parametri {0}" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" -"tunnistamaton {0} parametri Jmol-tila -komentosarjassa (aseta joka " -"tapauksessa)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "tunnistamaton SHOW-parametri -- käytä {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "kirjoita mitä? {0} tai {1} \"filename\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "VIRHE komentosarjassa: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atomia poistettu" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} vetysidokset" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "tiedosto {0} luotu" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "kelpaamaton konteksti: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "edellyttää { number number number }" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "edellyttää lopettamista tai lauseketta" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "edellyttää tunnistetta tai lyhenteen spesifiointia" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "atomin kelpaamaton määrittely" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "ketjun kelpaamaton määrittely" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "lausekkeessa kelpaamaton merkki: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "mallin kelpaamaton määrittely" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "puuttuva {0} END" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "edellytetetään numeroa tai muuttujan nimeä" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "edellyttää lyhenteen määrittelyä (ALA, AL?, A*)" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} edellyttää" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} odottamaton" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "lausekkeessa tunnistamaton merkki: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "tunnistamaton merkki: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} tukia lisätty" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} sidosta poistettu" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} uusia sidoksia; {1} muokattu" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Huom: Tähän yhteyteen vaikuttaa useampi kuin yksi malli!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Avaa menu klikkaamalla..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet versio {0} {1}.\n" -"\n" -"OpenScience-projekti.\n" -"\n" -"Lisätietoja: http://www.jmol.org" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Tiedostovirhe:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "aseta/uusi atomi tai sidos (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "esiin ponnahtava viimeksi käytetty valikko (valitse suoraan Jmollista)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "poista atomi (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "poista sidos (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "aseta syvyys (takataso; edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "liikuta atomia (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "liikuta koko DRAW-objektia (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "liikuta tiettyä DRAW-pistettä (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "liikuta etikettiä (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "liikuta atomia ja optimoi molekyyli (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "liikuta ja optimoi molekyyli (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "liikuta valittuja atomeja (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "liikuta atomeja Z-akselin suuntaisesti (vaatii {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simuloi multi-touch -toimintoa hiiren avulla)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "käännä navigointipiste (edellyttää {0} ja {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "valitse atomi" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "yhdistä atomeja (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "valitse ISOSURFACE-piste (edellyttää {0}" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "piilota/näytä valittu etiketti (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"valitse atomi ja sisällytä mittauksiin (mittaamisen aloittamisen tai {0} " -"jälkeen)" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "valitse piste tai atomi navigoidaksesi (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "valitse DRAW-piste (mittauksille) (edellyttää {0}" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "esiin ponnahtava koko valikko" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "nollaa (klikkaa pois mallista)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "pyöritä" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "liikuta haaraa sidoksen ympärillä (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "pyöritä valittuja atomeja (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "pyöritä Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"pyöritä Z (hiiren horisontaalinen liike) tai zoomaa (hiiren vertikaalinen " -"liike)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "valitse atomi (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "valitse ja liikuta atomeja (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "poista valinnoista tämä atomiryhmä (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "valitse EI MITÄÄN (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "lisää tämä atomijoukko valittujen atomien valikoimaan (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "vaihtele valintaa (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"jos kaikki on valittu, poista kaikki valinnat, muuten lisää tämä atomiryhmä " -"valittujen atomien valikoimaan (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "aloita tai lopeta mittaaminen valitsemalla atomi" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "aseta vaaka (etutaso; edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "siirrä vaaka/syvyysikkuna (molemmat tasot; edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "zoom (ikkunan oikeaa reunaa pitkin)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"valitse kaksi akselin ympäri vastapäivään kiertävää pistettä (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"valitse kaksi akselin ympäri myötäpäivään kiertävää pistettä (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "lopeta liike (edellyttää {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" -"pyörimismalli (lopeta liike painamalla ja vapauttamalla painikkeet " -"samanaikaisesti)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "käännä" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "zoom" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "pyöritä mallia akselin ympäri valitsemalla yksi tai useampi atomi" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "pyöritä mallia akselin ympäri valitsemalla kaksi atomia" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" -"näytä atomien välinen symmetriasuhde valitsemalla yksi tai useampi atomi" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "näytä atomien välinen symmetriasuhde valitsemalla kaksi atomia" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Asetetaan lokitiedosto: {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Lokitiedoston polkua ei voitu asettaa." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} piilotettiin atomit" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atomia valittu" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Liikuta etikettiä vetämällä" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "leikepöytä ei käytettävissä -- käytä kirjattua applettia" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} lisättiin vedyt" - -#~ msgid "Hide Symmetry" -#~ msgstr "Piilota symmetria" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Ladataan Jmol applet ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} sekuntia" - -#~ msgid "Java version:" -#~ msgstr "Java-versio:" - -#~ msgid "1 processor" -#~ msgstr "1 prosessori" - -#~ msgid "unknown processor count" -#~ msgstr "tuntematon prosessorilukumäärä" - -#~ msgid "Java memory usage:" -#~ msgstr "Java-muistin käyttö:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB vapaa" - -#~ msgid "unknown maximum" -#~ msgstr "tuntematon maksimi" - -#~ msgid "Open file or URL" -#~ msgstr "Avaa tiedosto tai URL" diff --git a/qmpy/web/static/js/jsmol/idioma/fr.po b/qmpy/web/static/js/jsmol/idioma/fr.po deleted file mode 100644 index 47020c61..00000000 --- a/qmpy/web/static/js/jsmol/idioma/fr.po +++ /dev/null @@ -1,2652 +0,0 @@ -# Jmol french translation. -# Copyright (C) 2005 -# This file is distributed under the same license as the Jmol package. -# Nicolas Vervelle , 2005. -# -msgid "" -msgstr "" -"Project-Id-Version: Jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 23:44+0000\n" -"Last-Translator: Nicolas Vervelle \n" -"Language-Team: French \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Country: France\n" -"X-Poedit-Language: French\n" -"X-Poedit-Basepath: ../../../..\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Élément?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Console de Script Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Fichier" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Fermer" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Aide" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Recherche" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Commandes" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "&Fonctions Mathématiques" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Préférences & Paramètres" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Plus" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Éditeur" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Etat" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Lancer" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Effacer la sortie" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Effacer la saisie" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Historique" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Charger" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"Appuyer sur Ctrl+Entrée pour une nouvelle ligne ou copier les données d'un " -"modèle et appuyer sur Load" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Les messages apparaissent ici. Saisissez les commandes dans la boîte ci-" -"dessous. Cliquez sur l'article Aide du menu de la console pour obtenir " -"l'aide en ligne, qui apparaitra dans une nouvelle fenêtre de navigateur." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Éditeur de scripts Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Console" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Ouvrir" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Face" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Script" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Vérifier" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Retourner en haut" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Incrément" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pause" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Reprendre" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Arrêter" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Effacer" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Fermer" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Fichier ou URL :" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Type d'image" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Qualité JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Compression PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Qualité PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Oui" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Non" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Voulez-vous écraser le fichier {0} ?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Avertissement" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Tous les Fichiers" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Annuler" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Ferme la boîte de dialogue du sélecteur de fichiers" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Détails" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "répertoire" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Ouvrir le répertoire sélectionné" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Caractéristiques" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Modifié" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Fichier générique" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Nommer" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Nom du Fichier" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Taille" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Fichiers du type :" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Type" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Aide" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Aide sur le sélecteur de fichiers" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Dossier personnel" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Liste" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Rechercher dans :" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Erreur lors de la création du nouveau dossier" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Nouveau dossier" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Créer un nouveau dossier" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Ouvre le fichier sélectionné" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Sauvegarder" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Sauvegarder le fichier sélectionné" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Sauver dans:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Mise à jour" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Mise à jour de la liste des répertoires" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Haut" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Remonter d'un niveau" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "Ok" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Aperçu" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Ajouter les modèles" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "informations de débogage pour les dessins animés" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"NOTE : Les positions structurelles d''amides d''hydrogène sont présentes et " -"seront ignorées. Leurs positions seront évaluées, conformément à l''analyse " -"standard DSSP.\n" -"Utilisez {0} afin de ne pas effectuer cette évaluation.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"NOTE : Les positions structurelles d''amides d''hydrogène sont présentes et " -"seront utilisées. Les résultats peuvent différer de façon significative par " -"rapport à l''analyse standard DSSP.\n" -"Utilisez {0} afin d'ignorer ces positions d'hydrogène.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arabe" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturien" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "Azéri" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosnien" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Catalan" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Tchèque" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Danois" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Allemand" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Grec" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Anglais australien" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Anglais britannique" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Anglais américain" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Espagnol" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estonien" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "Basque" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finnois" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Féroïen" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Français" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "frison" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "galicien" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Croate" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Hongrois" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Arménien" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonésien" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italien" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japonais" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Javanais" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Coréen" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Malais" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norvégien « Bokmal »" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Néerlandais" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitan" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polonais" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugais" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Portugais brésilien" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Russe" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Slovène" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbe" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Suédois" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamoul" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Télugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turc" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Ouïghour" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukrainien" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "Ouzbek" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Chinois Simplifié" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Chinois traditionnel" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Impossible d''obtenir la classe du champ de force {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Aucun atome sélectionné -- rien à faire!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomes seront minimisés." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "Impossible d''installer le champ de force {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "Nouveau" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "Annuler (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "Rétablir (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "centre" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "ajouter hydrogènes" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "réduire" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "fixer les hydrogènes et réduire" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "réinitialiser" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "Sauvegardez le fichier" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "sauvegardez l'état" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "inverser anneau stéréochimie" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "Effacez l'atome" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "faire glisser pour lier" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "faire glisser atome" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "faire glisser atome (et réduire)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "faire glisser et réduire la molécule (attachement)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "augmenter la charge" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "réduire la charge" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "supprimer le lien" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "simple" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "double" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "triple" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "augmenter l'ordre" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "réduire l'ordre" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "pivoter le lien (MAJ.+ glisser)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "quitter le mode kit de modélisation" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Groupe d'espace" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Aucun(e)" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Tout" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} processeurs" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "Total de {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "Maximum de {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Console de Script Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Manuel Souris" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Traductions" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Système" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Aucun atome chargé" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Configurations" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Elément" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Modèle/Frame" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Langue" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Par nom de résidu" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Par HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Orbites moléculaires ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Symétrie" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Informations du modèle" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Sélectionner ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Tous les {0} modèles" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Configurations ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Collection de {0} modèles" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "{0} atomes" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "{0} liens" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "{0} groupes" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "{0} chaînes" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "{0} polymères" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "modèle {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Voir {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Menu Principal" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolécules" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolécule {0} ({1} atomes)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "charger la biomolécule {0} ({1} atomes)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Aucun(e)" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Afficher uniquement la sélection" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Inverser la sélection" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Vue" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Face" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Gauche" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Droite" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Haut" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Bas" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Fond" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Protéine" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Squelette" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Chaînes latérales" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Résidus polaires" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Résidus non polaires" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Résidues basiques (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Résidus acides (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Résidus non chargés" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nucléique" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "ADN" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "ARN" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Bases" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "Paires AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "Paires GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "Paires AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Structure secondaire" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hétéro" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Tous les \"HETATM\" PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Tout Solvant" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Tout Eau" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Solvant non-aqueux" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "HETATM non-aqueux" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Glucide" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Aucun ci-dessus" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Style" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Combinaison" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK Remplissage" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Boule et bâton" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Bâtons" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Fil de fer" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Cartoon" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Trace" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomes" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Off" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Liens" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Activer" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Liens Hydrogène" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Calculer" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Liens H sur la chaîne latérale" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Liens H sur le squelette" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Liens disulfure" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Liens SS sur la chaîne latérale" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Liens SS sur le squelette" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Structures" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Roquettes Cartoon" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Rubans" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Roquettes" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Rives" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibration" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vecteurs" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Spectre" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-RMN" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-RMN" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pixels" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Echelle {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stéréographique" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Lunettes Rouge+Cyan" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Lunettes Rouge+Bleu" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Lunettes Rouge+Vert" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Vision yeux croisés" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Vision yeux parallèles" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Étiquettes" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Avec le symbole de l'élément" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Avec le nom de l'atome" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Avec le numéro de l'atome" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Position du texte par rapport à l'atome" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Centré" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Haut droite" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Bas droite" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Haut gauche" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Bas gauche" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Couleur" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Par combinaison" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Elément (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Emplacement alternatif" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molécule" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Charge formelle" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Charge partielle" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Température (Relative)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Température (fixée)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aicde Aminé" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Chaîne" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Groupe" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomère" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Galbé" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Hérite" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Noir" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Blanc" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Cyan" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Rouge" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Orange" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Jaune" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Vert" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Bleu" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violet" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Saumon" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Olive" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Marron" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Gris" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Bleu ardoise" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Or" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orchidée" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Rendre opaque" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Rendre translucide" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Fond" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Surfaces" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Axes" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Boîte englobante" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Cellule unitaire" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Zoom" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Zoom avant" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Zoom arrière" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Rotation" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Changer la vitesse X" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Changer la vitesse Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Changer la vitesse Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Changer FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animation" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Mode d'Animation" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Une fois" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindrome" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "En boucle" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Lancer" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Arrêter" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Trame suivante" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Trame précédente" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Revenir au début" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "En arrière" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Redémarrer" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Double-clic commence et finit toutes les mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Cliquer pour une mesure de distance" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Cliquer pour une mesure d'angle" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Cliquer pour une mesure de torsion (dihédrale)" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Cliquez sur deux atomes afin d'afficher la séquence dans la console" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Effacer les mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Donner la liste des mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Unité pour les distances en nanomètres" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Unité pour les distances en Angstroms" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Unité pour les distances en picomètres" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Réglez la cueillette" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Centre" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identité" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Texte" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Sélectionner atome" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Sélectionner chaîne" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Sélectionner élément" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "quitter le mode kit de modélisation" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Sélectionner groupe" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Sélectionner molécule" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Sélectionner site" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "opération de symétrie montrent" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Afficher" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Console de Script Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Contenu du fichier" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Entête du fichier" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Données isosurface au format JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Données orbites moléculaires au format JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Modèle" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientation" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Groupe spatial" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Etat courant" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Fichier" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Recharger" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Ouvert du PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Ouvre le fichier sélectionné" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Ouvrir" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Charger la maille élémentaire entière" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Ouvrir le script" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Enregistrer une copie de « {0} »" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Enregistrer le script avec l'état" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Enregistrer le script avec l'historique" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Exporter une image {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Tout enregistrer en tant que fichier JMOL (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Enregistrer l'isosurface JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Exporter le modèle 3D {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Calcul" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimiser la structure" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Kit de modélisation" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Extraire les données MOL" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Surface pointillée" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "Surface de van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Surface moléculaire" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Surface du solvant (sonde de {0} Ã…)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Surface accessible au solvant (VDW + {0} Ã…)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Recharger {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Recharger {0} + Afficher {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Recharger + Polyhèdre" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Masquer" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Pointillé" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Largeur en Pixels" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Largeur en Angströms" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Halos de sélection" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Afficher les Hydrogènes" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Afficher les mesures" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Profondeur de la perspective" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Couleurs RasMol" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "À propos ..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "Erreur du compilateur de script: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "axe x y z attendu" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} n'est pas autorisé avec un modèle de fond affiché" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "mauvais nombre d'arguments" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Les indices de Miller ne peuvent pas être tous égaux à 0." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "couleur [R, V, B] incorrecte" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "booléen attendu" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "boolean ou nombre attendu" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "boolean, nombre, ou {0} attendu" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "impossible d'assigner la valeur" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "couleur attendue" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "un nom de couleur ou de palette (Jmol, Rasmol) est requis" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "commande attendue" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} o $name o une expression atome requis" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "objet de dessin non défini" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "fin inattendue du script de commande" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "(expression d'atomes) valide attendue" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "(expression d'atomes) ou entier attendu" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "nom de fichier attendu" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "fichier non trouvé" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "arguments incompatibles" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "nombre d'arguments insuffisant" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "entier attendu" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "entier en dehors de la plage de valeurs ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "argument incorrect" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "ordre des paramètres incorrect" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "mot clé attendu" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "pas de données MO coefficient disponibles" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "Un indice MO de 1 à {0} est requis" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "aucune base MO / données coefficient disponible pour ce cadre" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "no MO occupancy data available" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Une seule orbite moléculaire est disponible dans ce fichier" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} requière qu'un seul modèle soit affiché" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} requiert qu'un seul modèle être chargé" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Pas de données disponibles" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Aucune charge partielle n'a été lue depuis le fichier; Jmol en a besoin pour " -"générer les données MEP." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Pas de cellule unitaire" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "nombre attendu" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "le nombre doit être ({0} ou {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "nombre décimal en dehors de la plage de valeurs ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "nom d'objet attendu après '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"plan attendu -- soit 3 points ou une expression d''atomes ou {0} ou {1} ou " -"{2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "nom de propriété attendu" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "Le groupe spatial {0} n'a pas été trouvé" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "chaîne de caractères entre guillemets attendue" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "chaîne de caractères entre guillemets ou identifiant attendu" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "trop de points de rotation ont été spécifiés" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "trop de niveaux de script" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "Propriété d'atome non reconnue" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "Propriété de lien non reconnue" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "commande non reconnue" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "expression non reconnue" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "objet non reconnu" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "Paramètre {0} non reconnu" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" -"méconnue {0} paramètre dans le script Jmol état (ensemble de toute façon)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "Paramètre SHOW non reconnu -- utiliser {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "écrire quoi? {0} ou {1} \"nom de fichier\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "ERREUR de script: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atomes supprimés" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} liens hydrogène" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "Fichier {0} crée" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "context incorrect pour {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ nombre nombre nombre } attendu" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "fin d'expression attendue" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "spécification identifiant ou de résidus prévus" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "spécification d'atome incorrecte" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "spécification de chaîne incorrecte" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "élément d''expression incorrect: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "spécification de modèle incorrecte" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "manquantes END pour {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "nombre ou nom de variable attendu" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "spécification de résidu (ALA, AL?, A*) attendue" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} attendu" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} inattendue" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "élément d''expression non reconnu: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "élément non reconnu: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} traverse(s) ajoutée(s)" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} connexions supprimées" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} de nouveaux liens; {1} modification" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Note : plus d'un modèle interagit dans ce contact !" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Cliquer pour le menu ..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet version {0} {1}.\n" -"\n" -"Fait partie du projet OpenScience.\n" -"\n" -"Voir http://www.jmol.org pour de plus amples informations" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Erreur de Fichier:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "assigner/nouvel atome ou lien (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "afficher le menu contextuel récent ( cliquez sur frank Jmol )" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "supprimer atome (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "supprimer le lien (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "ajuster la profondeur (plan arrière ; requiert {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "déplacer atome (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "déplacer objet DRAW entier (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "déplacer un point DRAW (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "déplacer le label (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "déplacer atome et réduire la molécule (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "déplacer et réduire la molécule (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "déplacer les atomes sélectionnés (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "Faire glisser les atomes selon la direction Z (nécessite {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simuler le multi-touches via la souris)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "déplacer le point de navigation (requiert {0} et {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "choisir un atome" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "connecter les atomes (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "choisir un point ISOSURFACE (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "choisir un label afin de basculer entre affiché/masqué (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"choisir un atome afin de l'inclure dans la mesure (après le début d'une " -"mesure ou après {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "choisir un point ou un atome au(x)quel(s) se rendre (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "choisir un point DRAW (pour des mesures) (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "afficher le menu contextuel complet" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "réinitialiser (lors d'un clic hors du modèle)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "rotation" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "faire pivoter la branche autour du lien (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "faire pivoter les atomes sélectionnés (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "Faire tourner Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"pivoter Z (mouvement horizontal de la souris) ou zoomer (mouvement vertical " -"de la souris)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "sélectionner un atome (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "sélectionner et faire glisser les atomes (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "Dé-sélectionner ce groupe d''atomes (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "Ne rien sélectionner (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "ajouter ce groupe d'atomes au set d'atomes sélectionnés (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "activer/désactiver sélection (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"si tous sont sélectionnés, désélectionnez les tous, autrement ajoutez ce " -"groupe d'atomes au set d'atomes sélectionnés (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "choisir un atome afin de lancer ou compléter une mesure" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "ajuster la dalle (plan frontal ; requiert {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" -"déplacer la fenêtre de dalle/profondeur (les deux plans ; requiert {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "zoomer (le long du bord droit de la fenêtre)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"Cliquez sur deux points afin de tourner autour de l'axe dans le sens inverse " -"des aiguilles d'une montre (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"Cliquez sur deux points afin de tourner autour de l'axe dans le sens des " -"aiguilles d'une montre (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "interrompre le mouvement (requiert {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" -"modèle de rotation (faire glisser vivement, relâcher le bouton et arrêter le " -"mouvement simultanément)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "Translation" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "Zoom" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" -"Choisir un atome supplémentaire pour faire tourner le modèle autour d'un axe" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "Choisir deux atomes pour faire tourner le modèle autour d'un axe" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "choisir un atome supplémentaire afin d'afficher la relation symétrique" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "choisir deux atomes afin d'afficher la relation symétrique entre eux" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Configuration du fichier journal dans {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Impossible de définir le chemin de fichier journal" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} atomes cachés" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atomes sélectionnés" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Faire glisser afin de déplacer le label" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "Le presse-papiers est inacessible -- utiliser l'applet signée" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} hydrogène(s) ajouté(s)" - -#~ msgid "Hide Symmetry" -#~ msgstr "Masquer la symétrie" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Chargement de l'applet Jmol ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} secondes" - -#~ msgid "Java version:" -#~ msgstr "Version de Java :" - -#~ msgid "1 processor" -#~ msgstr "1 processeur" - -#~ msgid "unknown processor count" -#~ msgstr "Nombre de processeurs inconnu" - -#~ msgid "Java memory usage:" -#~ msgstr "Utilisation mémoire de Java" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB libres" - -#~ msgid "unknown maximum" -#~ msgstr "Maximum inconnu" - -#~ msgid "Open file or URL" -#~ msgstr "Ouvrir un fichier ou une URL" diff --git a/qmpy/web/static/js/jsmol/idioma/fy.po b/qmpy/web/static/js/jsmol/idioma/fy.po deleted file mode 100644 index 7c520004..00000000 --- a/qmpy/web/static/js/jsmol/idioma/fy.po +++ /dev/null @@ -1,2564 +0,0 @@ -# Frisian translation for jmol -# Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2011. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Egon Willighagen \n" -"Language-Team: Frisian \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -msgid "&Close" -msgstr "" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Help" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:143 -msgid "Font" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -msgid "none" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -msgid "Jmol Script Commands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -msgid "Axis x" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -msgid "Axis y" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -msgid "Axis z" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -msgid "Axis a" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -msgid "Axis b" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -msgid "Axis c" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -msgid "JavaScript Console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -msgid "Open local file" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -msgid "Open URL" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" diff --git a/qmpy/web/static/js/jsmol/idioma/hu.po b/qmpy/web/static/js/jsmol/idioma/hu.po deleted file mode 100644 index 45ee325f..00000000 --- a/qmpy/web/static/js/jsmol/idioma/hu.po +++ /dev/null @@ -1,2619 +0,0 @@ -# Hungarian translation of the Jmol applet -# Copyright (C) 2005-2007 by the Jmol Development Team -# -# This file is distributed under the same license as the Jmol package. -# Zoltán ZörgÅ‘ , 2008. -# -msgid "" -msgstr "" -"Project-Id-Version: JmolApplet 11.7.x\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Krasznecz Zoltán \n" -"Language-Team: Hungarian \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Country: HUNGARY\n" -"X-Poedit-Language: Hungarian\n" -"X-Poedit-SourceCharset: utf-8\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol parancsnyelvi konzol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Fájl" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Bezár" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Súgó" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Keresés" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Parancsok" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Matematikai &függvények" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Paraméterek &beállítása" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Továbbiak" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "SzerkesztÅ‘" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Státus" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Futtat" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Kimenet törlése" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Bemenet törlése" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "ElÅ‘zmények" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Betöltés" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"Nyomjon Ctrl-Enter-t új sorhoz, vagy illesszen be modelladatotés nyomja meg " -"a Betöltés gombot" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Az üzenetek itt fognak megjelenni. A parancsokat az alábbi mezÅ‘be írja be." -"Kattintson a konzol Súgó menüpontjára segítségért, mely egy új böngészÅ‘-" -"ablakban fog megjelenni." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konzol" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Megnyitás" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Elölnézet" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Skript" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "EllenÅ‘rzés" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Lépés" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Megállít" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Folytatás" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Leállít" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Törlés" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Bezár" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Fájl vagy URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Kép típus" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG minÅ‘ség ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG tömörítés ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG tömörítés ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Igen" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Nem" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Fölül akarja írnia a {0} fájlt?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Figyelmeztetés" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Minden fájl" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Mégsem" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "A fájlkiválastás megszakítása" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Részletek" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Könyvtár" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "A kijelölt könyvtár megnyitása" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Attribútumok" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Módosítva" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Ãltalános fájl" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Név" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Fájlnév:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Méret" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Fájlok ezzel a típussal:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Típus" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Súgó" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Fájlkiválasztó súgója" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Haza" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Lista" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Keresés itt:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Hiba a mappalétrehozás közben" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Új mappa" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Új mappa létrehozása" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Kijelölt fájl megnyitása" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Mentés" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Kijelölt fájl mentése" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Mentés ide:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Frissítés" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Könyvtártartalom frissítése" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Fel" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Egy szintet fel" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "ElÅ‘nézet" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Modellek hozzáfűzése" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arab" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Katalán" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Cseh" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Dán" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Német" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Görög" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Britt angol" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Amerikai angol" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Spanyol" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Észt" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Francia" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -# Hungarian message ID not yet implemented! -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Magyar" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Olasz" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Kóreai" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norvég" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Holland" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Lengyel" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugál" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Brazil portugál" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Orosz" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Szlovén" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Svéd" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Török" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukrán" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Egyszerűsített kínai" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Kínai (hagyományos)" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Nem található meg az erÅ‘térhez tartozó {0} osztály" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Nincs kiválasztott atom - nincs mit tenni!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atom lessz minimalizálva." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "nem sikerült a {0} erÅ‘teret beállítani" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Egyik sem" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Mind" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} processzor" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "Összesen: {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "Maximum: {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol parancsnyelvi konzol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Egérkezelés" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Fordítások" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Rendszer" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Nincs atom betöltve" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Beállítások" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Elem" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Modell/Keret" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Nyelv" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Gyök neve szerint" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "HETATM szerint" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Szimmetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Modell jellemzÅ‘i" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Kiválasztás ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Mind a {0} modellt" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Konfigurációk ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "{0} modell gyűjteménye" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "Atomok száma: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "Kötések száma: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "Csoportok száma: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "Láncok száma: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "Polimérek száma: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "Modell {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "{0} nézet" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "FÅ‘menü" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Bio-molekulák" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "{0}. biomolekula ({1} atom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "{0}. biomolekula betöltése ({1} atom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Egyik sem" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Csak a kijelöltek látszanak" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Kijelölés megfordítása" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Nézet" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Elölnézet" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Balról" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Jobbról" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Alulnézet" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Hátulnézet" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Tengelyek" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Tengelyek" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Tengelyek" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Tengelyek" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Tengelyek" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Tengelyek" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Protein" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Váz" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Oldalláncok" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Poláros gyökök" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Nempoláros gyökök" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Bázikus gyökök (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Savas gyökök (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Semleges gyökök" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nukleikus" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNS" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNS" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Bázisok" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT-párok" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC-párok" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU-Párok" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Másodlagos struktúra" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Minden PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Minden oldószer" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Minden víz" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Vízmentes oldószer" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "Vízmentes HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Szénhidrát" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Egy sem a fentiek közül" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Stílus" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Séma" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CKP térkitöltés" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Golyók és pálcikák" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Pálcikák" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Rács" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Rajzfilm" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Követés" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomok" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Ki" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Kötések" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Be" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Hidrogénkötések" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Számítás" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Hidrogén-kötés oldallánc beállítása" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Hidrogén-kötés gerinc beállítása" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Diszulfid kötések" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "S-S kötés oldallánc beállítása" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "S-S kötés gerinc beállítása" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Struktúrák" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Rajzfilm-rakéta" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Szalagok" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Rakéták" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Fonalak" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibráció" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektorok" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} képpont" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Méretezés {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Sztereó" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Piros-cián szemüveg" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Piros-kék szemüveg" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Piros-zöld szemüveg" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Szemkeresztezés" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Párhuzamos nézés" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Feliratok" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Az elem jelével" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Az atom nevével" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Az atom sorszámával" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "A feliratok helyzete az atomokon" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Középen" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Jobb-felsÅ‘ rész" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Bal-alsó rész" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Bal-feslÅ‘ rész" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Bal-alsó rész" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Színek" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Séma szerint" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Eleme (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Alternatív elhelyezkedés" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molekula" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Formális töltés" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Részleges töltés" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "(Relatív) hÅ‘mérsékle" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "(Rögzített) hÅ‘mérséklet" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminósav" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Lánc" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Csoport" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomér" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Shapely" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Öröklés" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Fekete" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Fehér" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Ciánkék" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Piros" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Narancs" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Sárga" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Zöld" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Kék" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigó" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Ibolya" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Salmon" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Oliva" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Gesztenyebarna" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Szürke" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Angol kék" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Arany" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orchidearózsaszín" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Nem áttetszÅ‘" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "ÃttetszÅ‘" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Háttér" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Felületek" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Tengelyek" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Befoglaló doboz" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Egységcella" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Nagyítás" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Nagyítás" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Kicsinyítés" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Spin" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "X érték beállítása" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Y érték beállítása" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Z érték beállítása" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Framerate beállítása" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animáció" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Animáció módja" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Egyszeri lejátszás" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Oda-vissza játszás" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Ugrás" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Lejátszás" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Leállít" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "KövetkezÅ‘ kocka" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "ElÅ‘zÅ‘ kocka" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Visszateker" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Visszafele" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Újrakezdés" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Méretezés" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "A dupla kattintás indítja és zárja a méretezést" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Távolságmérés" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Szögméréshez" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Csavarodásmérés (diéder-torzíó)" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Mérési eredmények törlése" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Mérési eredmények listázása" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Mérték: nanométer" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Mérték: Ã…ngström" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Mérték: pikométer" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Kiválasztási mód beállítása" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Közép" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Azonosítás" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Felirat" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Atom kiválasztása" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Lánc kiválasztása" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Elem kiválasztása" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Csoport kiválasztása" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Molekula kiválasztása" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Oldal kiválasztása" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Mutat" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol parancsnyelvi konzol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Fájl tartalma" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Fájl fejléce" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Izofelület JVXL formában" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Molekuláris orbitálok JVXL formában" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Modell" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientációk" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Térbeli csoport" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Aktuállis állapot" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Fájl" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Újratölt" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Kijelölt fájl megnyitása" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Megnyitás" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Teljes egységcella betöltése" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "MOL adatok kivonatolása" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Pontozott felület" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "van der Waals felszín" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Molekuláris felszín" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Oldószer felszín ({0}-Angstrom próba)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Oldószerrel elérhetÅ‘ felszín (VDW + {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "{0} újratöltése" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Újratöltés + poliéder" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Elrejt" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Pontozott" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Piszelvastagság" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Ã…ngström szélesség" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Jelölési környezet" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Hidrogén látszik" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Méretezések látszanak" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Perspektívikus mélységszámítás" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol színek" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Névjegy…" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "skript fordítási HIBA: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "x y z tengelyeket vártam" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} nem megengedett látható háttérmodell mellett" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "nem megfelelÅ‘ argumentumszám" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "A Miller-index nem lehet zéró" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "rossz RGB színkód" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "logikai adatot vártam" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "logikai adatot vagy számot vártam" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "logikai értéket, számot vagy {0}-t vártam" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "színt vártam" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "egy szín vagy paletta név (Jmol, Rasmol) szükséges" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "parancsot vártam" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} vagy $name vagy (atom kifejezés) szükséges" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "rajzobjektum nincs definiálva" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "a skriptnek váratlanul lett vége" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "érvényes (atom kifejezést) vártam" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "(atom kifejezést) vagy egészt vártam" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "fájnevet vártam" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "A fájl nem található" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "összeférhetetlen argumentumok" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "elégtelen argumentum" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "egészt vártam" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "az egésznek a {0}-{1} tartományba kell esni" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "érvénytelen argumentum" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "érvéntelen paramétersorrend" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "kulcszót vártam" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "nincs MO együttható adat" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "Egy 1 és {0} közé esÅ‘ MO sorszám kell" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "nincs MO bázis/együttható adat ebben a keretben" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "nincs MO térfoglalási adat" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Ebben a fájlban csak egy elérhetÅ‘ molekuláris orbitál van." - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} megköveteli, hogy csak egy modell legyen látható" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Nincs adat" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Nem lett részleges töltés kiolvasva a fájlból; a Jmol-nak ezekre szükségevan " -"a MEP adatok rendereléséhez." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Nincs egységcella" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "számot vártam" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "A szám csak {0} vagy {1} lehet" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "A számnak {0} - {1} közé kell esni" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "objektumnév kell legyen a '$' után" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"síkot vártam -- vagy három pontot, vagy atom kifejezést vagy {0} vagy {1} " -"vagy {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "tulajdonságnevet vártam" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "A {0} tércsoport nem található" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "idézÅ‘jeles stringet vártam" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "idézÅ‘jeles stringet vagy azonosítót vártam" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "ez túl sok forgáspont" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "túl kevés parancsfájl szint" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "ismeretlen atomjellemzÅ‘" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "ismeretlen kötésjellemzÅ‘" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "ismeretlen parancs" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "futási idÅ‘ben értelmezhetetlen kifejezés" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "ismeretlen objektum" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "ismeretlen {0} paraméter" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" -"ismeretlen {0} paraméter a Jmol állapot parancsfájlban (mindenképp beállítva)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "ismeretlen SHOW paraméter, használja ezt: {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "mit írjak? {0} vagy {1} \"fájlnév\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "skript HIBA: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atom tötölve" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} hidrogénkötés" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "érvénytelen környezet {0} számára" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ szám szám szám } várva" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "a kifejezés végét vártam" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "azonosítót vagy csapadék specifikációt vártam" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "érvénytelen atom specifikáció" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "érvénytelen lánc specifikáció" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "érvénytelen kifejezéselem: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "érvénytelen modell specifikáció" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "hiányzik a {0} végeleme" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "számot vagy változónevet vártam" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "csapadék specifikációt (ALA, AL?, A*) vártam" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} atom kiválasztva" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} atom kiválasztva" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "ismeretlen kifejezés elem: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "ismeretlen elem: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, fuzzy, java-format -msgid "{0} struts added" -msgstr "{0} atom elrejtve" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} kapcsolat törölve" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} új kötés, {1} módosítva" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol kisalkalmazás {0} {1} verzió.\n" -"\n" -"Egy OpenScience Projekt.\n" -"\n" -"További információk a http://www.jmol.org oldalon" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Adathiba:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "fordítás" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "válassz ki még egy atomot, hogy a modell a tengely körül forogjon" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "válassz ki két atomot, hogy a modell a tengely körül forogjon" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} atom elrejtve" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atom kiválasztva" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "a vágólap nem érhetÅ‘ el, használjon aláírt Java kisalkalmazást" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "A Jmol kisalkalmazás töltÅ‘dik..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} másodperc" - -#~ msgid "1 processor" -#~ msgstr "1 processzor" - -#~ msgid "unknown processor count" -#~ msgstr "Processzorok száma ismeretlen" - -#~ msgid "{0} MB free" -#~ msgstr "Szabad: {0} MB" - -#~ msgid "unknown maximum" -#~ msgstr "Ismeretlen maximum" - -#~ msgid "Open file or URL" -#~ msgstr "Fájl vagy URL megnyitása" diff --git a/qmpy/web/static/js/jsmol/idioma/hy.po b/qmpy/web/static/js/jsmol/idioma/hy.po deleted file mode 100644 index 7ce019fd..00000000 --- a/qmpy/web/static/js/jsmol/idioma/hy.po +++ /dev/null @@ -1,2568 +0,0 @@ -# Armenian translation for jmol -# Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2011. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Serj Safarian \n" -"Language-Team: Armenian \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "ÕÕ¡ÕžÖ€Ö€" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Õ“Õ¡Õ¯Õ¥Õ¬" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Õ•Õ£Õ¶Õ¸Ö‚Õ©ÕµÕ¸Ö‚Õ¶" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&ÕˆÖ€Õ¸Õ¶Õ¥Õ¬..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Ô±Õ¾Õ¥Õ¬Õ«Õ¶" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "ÕŽÕ«Õ³Õ¡Õ¯" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Ô³Õ¸Ö€Õ®Õ¡Ö€Õ¯Õ¥Õ¬" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "ÕŠÕ¡Õ¿Õ´Õ¸Ö‚Õ©ÕµÕ¸Ö‚Õ¶" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Ô²Õ¥Õ¼Õ¶Õ¥Õ¬" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:143 -msgid "Font" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Ô³Ö€Õ¾Õ¡Õ®Ö„" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "ÕÕ¿Õ¸Ö‚Õ£Õ¸Ö‚Õ´" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Õ”Õ¡ÕµÕ¬" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Ô´Õ¡Õ¤Õ¡Ö€" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Õ„Õ¡Ö„Ö€Õ¥Õ¬" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Õ“Õ¡Õ¯Õ¥Õ¬" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Ô±ÕµÕ¸" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "ÕˆÕ¹" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Ô²Õ¸Õ¬Õ¸Ö€ Õ¶Õ·Õ¸ÖÕ¶Õ¥Ö€Õ¨" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Õ‰Õ¥Õ²Õ¡Ö€Õ¯Õ¥Õ¬" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Õ„Õ¡Õ¶Ö€Õ¡Õ´Õ¡Õ½Õ¶Õ¥Ö€" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Ô³Ö€Õ¡ÖÕ¸Ö‚ÖÕ¡Õ¯" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Õ€Õ¡Õ¿Õ¯Õ¡Õ¶Õ«Õ·Õ¥Ö€" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "ÕÕ¥Ö‚Õ¡ÖƒÕ¸Õ­Õ¾Õ¡Õ®" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Ô±Õ¶Õ¸Ö‚Õ¶Õ¨" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Õ†Õ·Õ¸ÖÕ« Õ¡Õ¶Õ¸Ö‚Õ¶Õ¨Õ" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Õ‰Õ¡ÖƒÕ¨" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Õ†Õ·Õ¸ÖÕ« Õ¿Õ¥Õ½Õ¡Õ¯Õ¨Õ" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "ÕÕ¥Õ½Õ¡Õ¯Õ¨" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Õ‘Õ¡Õ¶Õ¯" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Õ†Õ¸Ö€ ÕºÕ¡Õ¶Õ¡Õ¯" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Ô¹Õ¡Ö€Õ´Õ¡ÖÕ¶Õ¥Õ¬" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "ÕŽÕ¥Ö€Õ¥Ö‚" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "Ô¼Õ¡Õ¾" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Ô±Ö€Õ¡Õ¢Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Ô²Õ¸Õ½Õ¶Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Ô³Õ¥Ö€Õ´Õ¡Õ¶Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Õ€Õ¸Ö‚Õ¶Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Ô²Ö€Õ«Õ¿Õ¡Õ¶Õ¡Õ¯Õ¡Õ¶ Õ¡Õ¶Õ£Õ¬Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Ô±Õ´Õ¥Ö€Õ«Õ¯ÕµÕ¡Õ¶ Õ¡Õ¶Õ£Õ¬Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Õ§Õ½Õ¿Õ¸Õ¶Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Õ–Õ«Õ¶Õ¶Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Õ–Ö€Õ¡Õ¶Õ½Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Õ€Õ¸Ö‚Õ¶Õ£Õ¡Ö€Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Ô»Õ¶Õ¤Õ¸Õ¶Õ¥Õ¦Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "ÕƒÕ¡ÕºÕ¸Õ¶Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "ÕƒÕ¡Õ¾Õ¡Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Ô¿Õ¸Ö€Õ¥Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Õ€Õ¸Õ¬Õ¡Õ¶Õ¤Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Õ•Ö„Õ½Õ«Õ¿Õ¡Õ¶Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Ô¼Õ¥Õ°Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "ÕŠÕ¸Ö€Õ¿Õ¸Ö‚Õ£Õ¡Õ¬Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Ռուսերեն" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Ô¹Õ¡Õ´Õ«Õ¬Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Ô¹Õ¸Ö‚Ö€Ö„Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "ÕˆÖ‚Õ¯Ö€Õ¡Õ«Õ¶Õ¥Ö€Õ¥Õ¶" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Ô±Õ¾Õ¡Õ¶Õ¤Õ¡Õ¯Õ¡Õ¶ Õ¹Õ«Õ¶Õ¡Ö€Õ¥Õ¶" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "Õ¶Õ¸Ö€" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "Õ´Õ¡Ö„Ö€Õ¥Õ¬" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "ÕºÕ¡Õ°Õ¥Õ¬ Õ¶Õ·Õ¸ÖÕ¨" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -msgid "none" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -msgid "Jmol Script Commands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -msgid "Axis x" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -msgid "Axis y" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -msgid "Axis z" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -msgid "Axis a" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -msgid "Axis b" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -msgid "Axis c" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -msgid "JavaScript Console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -msgid "Open local file" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -msgid "Open URL" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" - -#~ msgid " {0} seconds" -#~ msgstr " {0} Õ¾Õ¡ÕµÖ€Õ¯ÕµÕ¡Õ¶" diff --git a/qmpy/web/static/js/jsmol/idioma/id.po b/qmpy/web/static/js/jsmol/idioma/id.po deleted file mode 100644 index 5d978a03..00000000 --- a/qmpy/web/static/js/jsmol/idioma/id.po +++ /dev/null @@ -1,2641 +0,0 @@ -# Indonesian translation for jmol -# Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2010. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 23:44+0000\n" -"Last-Translator: Andika Triwidada \n" -"Language-Team: Indonesian \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Unsur?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Konsul Skrip Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Berkas" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Tutup" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Bantuan" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Cari..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Perintah" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "&Fungsi Matematika" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Atur &Parameter" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Lainnya" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Penyunting" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Keadaan" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Jalankan" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Bersihkan Keluaran" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Bersihkan Masukan" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Riwayat" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Muat" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"tekan CTRL-ENTER untuk baris baru atau tempelkan model data dan tekan Muat" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Pesan akan ditampilkan disini. Tuliskan perintah dalam boks dibawah. Klik " -"konsul menu Bantuan untuk bantuan on-line yang akan ditampilkan di jendela " -"baru penjelajah." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Penyunting Skrip Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konsul" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Buka" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Depan" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Skrip" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Periksa" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Paling Atas" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Langkah" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Jeda" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Lanjutkan" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Berhenti" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Bersihkan" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Tutup" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Berkas atau URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Tipe Gambar" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Kualitas JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Pemampatan PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Kualitas PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Ya" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Tidak" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Apakah anda akan menindih berkas {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Peringatan" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Semua Berkas" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Batal" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Batalkan dialog pemilihan berkas" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Rincian" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Direktori" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Buka direktori yang dipilih" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Atribut" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Diubah" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Berkas Generik" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Nama" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Nama Berkas:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Ukuran" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Berkas Bertipe:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Tipe" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Bantuan" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Bantuan PemilihBerkas" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Beranda" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Daftar" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Lihat Pada:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Kesalahan membuat folder baru" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Folder Baru" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Buat Folder Baru" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Buka berkas yang dipilih" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Simpan" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Simpan berkas yang dipilih" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Simpan Dalam:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Perbarui" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Perbarui daftar direktori" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Naik" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Naik Satu Aras" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Pratinjau" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Tambahkan model" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"CATATAN: Tulang punggung posisi hidrogen amide ada dan akan diabaikan. " -"Posisinya akan diperkirakan, sesuai standar analisis DSSP.\n" -"Pilih {0} agar tidak menggunakan perkiraan ini.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"CATATAN:Tulang punggung posisi hidrogen amide ada dan akan digunakan. " -"Hasilnya mungkin berbeda jauh dari snadar analisis DSSP.\n" -"Pilih {0} untuk mengabaikan posisi hidrogen.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arab" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturia" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "Azerbaijan" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosnia" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Katala" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Ceko" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Denmark" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Jerman" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Yunani" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Inggris Australia" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Inggris Britania" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Inggris Amerika" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Spanyol" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estonia" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "Basque" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finlandia" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Faro" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Perancis" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Frisia" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "Galisia" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Kroasia" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Hungaria" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armenia" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesia" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italia" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Jepang" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Jawa" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Korea" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Melayu" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norwegia Bokmal" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Belanda" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occita" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polandia" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugis" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Portugis Brasil" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Rusia" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Slovenia" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbia" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Swedia" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turki" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uyghur" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukraina" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "Uzbek" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Cina Sederhana" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Cina Tradisional" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Tidak bisa memperoleh class untuk gaya bidang {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Tidak ada atom yang dipilih -- tidak ada yang perlu dikerjakan!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atom akan diminimalkan." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "tidak bisa menyiapkan bidang gaya {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "baru" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "tidakjadi (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "jadilagi (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "tengah" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "tambah hidrogen" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimalkan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "perbaiki hidrogen dan minimalkan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "bersih" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "simpan berkas" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "simpan keadaan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "balik cincin kimia stereo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "hapus atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "seret ke ikatan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "seret atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "seret atom (dan memperkecil)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "seret dan minimalkan molekul (docking)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "menaikkan muatan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "kurangi muatan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "hapus ikatan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "tunggal" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "ganda" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "rangkap tiga" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "urutan naik" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "urutan menurun" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "putar ikatan (SHIFT-DRAG)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "keluar mode modelkit" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Kelompok Ruang" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Tidak ada" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Semua" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} prosesor" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "total {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "maksimum {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Konsul Skrip Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Petunjuk Tetikus" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Terjemahan" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Sistem" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Tidak ada atom yang dimuat" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Konfigurasi" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Elemen" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Model/Bingkai" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Bahasa" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Menurut Nama Residu" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Menurut HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Orbit Molekuler ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Simetri" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Informasi Model" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Pilih ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Semua {0} model" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Konfigurasi ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Koleksi dari {0} model" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atom: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "ikatan: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "grup: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "rantai: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polimer: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Tampilan {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Menu Utama" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolekul" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolekul {0} ({1} atom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "muat biomolekul {0} ({1} atom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Tidak ada" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Tampilkan Hanya Yang Dipilih" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Pilih Sebaliknya" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Tampilan" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Depan" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Kiri" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Kanan" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Puncak" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Dasar" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Mundur" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Sumbu" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Sumbu" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Sumbu" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Sumbu" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Sumbu" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Sumbu" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Protein" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Tulangpunggung" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Rantai Sisi" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Residu Kutub" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Residu Nonkutub" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Residu Dasar (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Residu Asam (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Residu Tanpamuatan" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nukleat" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Dasar" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "pasangan AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "pasangan GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "pasangan AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Struktur Sekunder" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Semua PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Semua Pelarut" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Semua Air" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Pelarut BukanAir" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "HETATM BukanAir" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Karbohidrat" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Bukan yang diatas" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Gaya" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Skema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK Spacefill" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Bola dan Batang" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Batang" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Wireframe" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Kartun" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Telusur" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Mati" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Ikatan" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Hidup" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Ikatan Hidrogen" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Hitung" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Tetapkan Rantai Samping Ikatan-H" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Tetapkan Tulangpunggung Ikatan-H" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Ikatan Disulfida" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Tetapkan Rantai Samping Ikatan-SS" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Tetapkan Tulangpunggung Ikatan-SS" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Struktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Kartun Roket" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Pita" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Roket" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Strands" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Getaran" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektor" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Spektra" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} piksel" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Skala {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereografik" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Kaca mata merah+cyan" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Kaca mata merah+biru" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Kaca mata merah+hijau" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Penilikan juling" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Tampilan Wall-eyed" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Label" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Dengan Simbol Unsur" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Dengan Nama Atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Dengan Nomor Atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Posisi Label pada Atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Ditengahkan" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Kanan Atas" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Kanan Bawah" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Kiri Atas" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Kiri Bawah" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Warna" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Menurut Skema" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Unsur (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Lokasi Alternatif" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molekul" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Muatan Formal" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Muatan Parsial" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Suhu (Relatif)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Suhu (Tetap)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Asam Amino" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Rantai" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Kelompok" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Dengan bentuk" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Mewarisi" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Hitam" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Putih" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Cyan" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Merah" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Oranye" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Kuning" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Hijau" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Biru" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Ungu" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Salmon" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Zaitun" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Marun" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Abu-abu" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Biru Batu" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Emas" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Anggrek" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Jadikan Legap" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Jadikan Tembus Pandang" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Latar Belakang" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Permukaan" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Sumbu" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Kotak bingkai" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Satuan sel" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Zum" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Perbesar" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Perkecil" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Putar" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Tata Laju X" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Tata Laju Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Tata Laju Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Tata FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animasi" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Mode Animasi" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Mainkan Sekali" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Perulangan" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Mainkan" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Henti" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Bingkai Berikutnya" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Bingkai Sebelumnya" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Gulung Balik" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Kebalikan" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Mulai Ulang" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Pengukuran" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Klik-ganda memulai dan mengakhiri semua pengukuran" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Klik untuk pengukuran jarak" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Klik untuk pengukuran sudut" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Klik untuk pengukuran torsi (dihedral)" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Klik dua atom untuk menampilkan urutan di konsul" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Hapus pengukuran" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Daftar pengukuran" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Satuan jarak nanometer" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Satuan jarak Angstrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Satuan jarak pikometer" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Tetapkan pilihan" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Tengah" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identitas" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Label" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Pilih atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Pilih rantai" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Pilih unsur" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "keluar mode modelkit" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Pilih grup" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Pilih molekul" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Pilih situs" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Tampilkan operasi simetri" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Tampilkan" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Konsul Skrip Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Kandungan Berkas" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Kepala Berkas" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Data permukaan iso JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Data orbit molekuler JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Model" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientasi" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Kelompok ruang" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Status sekarang" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Berkas" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Muat Ulang" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Buka dari PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Buka berkas yang dipilih" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Buka" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Muat satu sel utuh" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Buka skrip" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Simpan salinan dari {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Simpan skrip dengan status" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Simpan skrip dengan riwayat" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Ekspor gambar {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Simpan semua sebagai berkas JMOL (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Simpan permukaan iso JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Ekspor 3D model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Komputasi" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimalkan struktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Model kit" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Ekstrak data MOL" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Permukaan Dot" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "Permukaan van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Permukaan Molekuler" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Pelarut Permukaan ({0}-Angstrom probe)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Pelarut-Permukaan yang bisa diakses (VDW + {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Muat ulang {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Muat ulang {0} + Tampilkan {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Mulat ulang + Polihedra" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Sembunyikan" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Bertitik" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Lebar Piksel" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Lebar Angstrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Seleksi Halo" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Tampilkan Hidrogen" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Tampilkan Pengukuran" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Kedalaman Perspektif" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Warna RasMol" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Tentang..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "KESALAHAN kompiler skrip: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "sumbu x y z diharapkan" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} tidak diijinkan dengan model latar ditampilkan" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "cacah argumen salah" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Indeks Miller tidak semuanya bisa nol." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "warna [R,G,B] buruk" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "bolean diharapkan" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "bolean atau angka diharapkan" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "bolean, angka, atau {0} diharapkan" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "tak bisa menata nilai" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "warna diharapkan" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "diperlukan warna atau nama palet (Jmol, Rasmol)" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "perintah diharapkan" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} atau $name atau (ekspresi atom) diharapkan" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "obyek gambar tidak didefinisikan" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "perintah akhir skrip yang tidak diharapkan" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "ekspresi atom (yang valid) diharapkan" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "(ekspresi atom) atau bilangan bulat diharapkan" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "namaberkas diharapkan" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "berkas tidak ditemukan" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "argumen tidak sesuai" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "argumen tidak mencukupi" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "bilangan bulat diharapkan" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "bilangan bulat diluar jangkauan ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "argumen tidak valid" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "urutan parameter tidak valid" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "katakunci diharapkan" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "tidak tersedia data koefisien MO" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "Diperlukan indeks MO dari 1 sampai {0}" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "tidak tersedia data basis/koefisien MO untuk bingkai ini" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "tidak tersedia data okupansi MO" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Hanya satu orbit molekuler tersedia pada berkas ini" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} memungkinkan hanya satu model ditampilkan" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} memungkinkan hanya satu model dimuat" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Tidak tersedia data" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Tidak ada muatan parsial dibaca dari berkas; Jmol memerlukan hal ini untuk " -"pencitraan data MEP." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Tidak ada satu sel" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "angka diharapkan" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "angka harus diantara ({0} atau {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "angka desimal diluar jangkauan ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "nama obyek diharapkan setelah '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"diharapkan bidang -- menggunakan tiga poin atau ekspresi atom atau {0} atau " -"{1} atau {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "nama properti diharapkan" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "kelompok ruang {0} tidak ditemukan." - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "karakter dengan tanda petik diharapkan" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "karakter dengan tanda petik atau pengenal diharapkan" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "terlalu banyak titik rotasi yang dinyatakan" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "terlalu banyak aras skrip" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "properti atom tidak dikenal" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "properti ikatan tidak dikenal" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "perintah tidak dikenal" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "ekspresi runtime tidak dikenal" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "obyek tidak dikenal" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "{0} parameter tidak dikenal" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "parameter {0} tidak dikenal dalam status skrip Jmol (ditetapkan saja)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "parameter SHOW tidak dikenal -- gunakan {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "menulis apa? \"berkas\" {0} atau {1}" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "KESALAHAN skrip: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atom dihapus" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} ikatan hidrogen" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "berkas {0} dibuat" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "konteks tidak valid untuk {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ angka angka angka } diharapkan" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "akhir ekspresi diharapkan" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "pengenal atau spesifikasi residu diharapkan" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "spesifikasi atom tidak valid" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "spesifikasi rantai tidak valid" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "ekspresi token tidak valid: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "spesifikasi model tidak valid" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "kurang END untuk {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "angka atau nama variabel diharapkan" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "spesifikasi residu (ALA, AL?, A*) diharapkan" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} diharapkan" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} tidak diharapkan" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "tanda ekspresi tidak dikenal: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "token tidak dikenal: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} batang ditambahkan" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} koneksi dihapus" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} ikatan baru; {1} modifikasi" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Catatan: Lebih dari satu model terlibat dalam kontak ini!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "klik untuk menu..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Aplet Jmol versi {0} {1}.\n" -"\n" -"Proyek OpenScience.\n" -"\n" -"Kunjungi http://www.jmol.org untuk keterangan lanjut" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Galat Berkas:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "tetapkan atom baru atau ikatan (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "munculkan konteks menu terkini (klik di cap Jmol)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "hapus atom (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "hapus ikatan (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "atur kedalaman (sisi belakang; memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "pindahkan atom (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "pindahkan seluruh obyek DRAW (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "pindahkan titik DRAW tertentu (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "pindahkan label (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "pindahkan atom dan perkecil molekul (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "pindahkan dan perkecil molekul (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "pindahkan atom-atom yang dipilih (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "seret atom dalam arah Z (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simulasikan sentuhan ganda menggunakan tetikus" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "geser titik navigasi (memerlukan {0} dan {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "pilih satu atom" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "hubungkan ataom (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "pilih satu titik PERMUKAAN ISO (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "pilih satu label yang disembunyikan/ditampilkan (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"pilih atom untuk disertakan dalam pengukuran (setelah menjalankan ulang " -"pengukuran atau setelah {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "pilih satu titik atu atom untuk navigasi ke (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "pilih satu titik DRAW (untuk pengukuran) (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "munculkan seluruh konteks menu" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "atur ulang (waktu mematikan model)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "putar" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "putar cabang sekitar ikatan (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "putar atom yang dipilih (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "putar Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"putar Z (gerak horisontal tetikus) atau pembesaran (gerak vertikal tetikus)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "pilih satu atom (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "pilih dan geser atom (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "lepaskan pilihan kelompok atom ini (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "pilih KOSONG (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "tambahkan kelompok atom pada atom yang sudah dipilih (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "suis pilihan (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"jika semua dipilih, lepaskan semua pilihan, atau tambahkan kelompok ini pada " -"kelompok atom yang dipilih (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "pilih satu atom untuk memulai atau mengakhiri pengukuran" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "atur dataran (sisi depan; memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "pindah dataran/kedalaman jendela (kedua sisi;memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "pembesaran (sepanjang sudut kanan jendela)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"klik dua titik untuk memutar pada sumbu berlawanan arah jarum jam " -"(memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"klik pada dua titik untuk memutar terhadap sumbu searah jarum jam " -"(memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "hentikan gerakan (memerlukan {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" -"putar model (geser dan lepaskan tombol dan hentikan gerakan secara bersamaan)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "geser" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "pembesaran" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "pilih satu atom lagi untuk memutar model pada salah satu sumbu" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "pilih dua atom untuk memutar model pada salah satu sumbu" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "pilih satu atom lagi untuk menampilkan hubungan simetri" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "pilih dua atom untuk menampilkan hubungan simetrinya" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Tetapkan berkas log menjadi {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Tidak bisa menetapkan lokasi berkas log." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} atom disembunyikan" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atom dipilih" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Seret untuk memindah label" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "clipboard tidak bisa diakses -- gunakan aplet yang disetujui" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} hidrogen ditambahkan" - -#~ msgid "Hide Symmetry" -#~ msgstr "Sembunyikan Simetri" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Memuat aplet Jmol..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} detik" - -#~ msgid "Java version:" -#~ msgstr "Versi Java:" - -#~ msgid "1 processor" -#~ msgstr "1 prosesor" - -#~ msgid "unknown processor count" -#~ msgstr "cacah prosesor tidak diketahui" - -#~ msgid "Java memory usage:" -#~ msgstr "Pemakaian memori Java:" - -#~ msgid "{0} MB free" -#~ msgstr "sisa {0} MB" - -#~ msgid "unknown maximum" -#~ msgstr "maksimum tidak diketahui" - -#~ msgid "Open file or URL" -#~ msgstr "Buka berkas atau URL" diff --git a/qmpy/web/static/js/jsmol/idioma/it.po b/qmpy/web/static/js/jsmol/idioma/it.po deleted file mode 100644 index dc819259..00000000 --- a/qmpy/web/static/js/jsmol/idioma/it.po +++ /dev/null @@ -1,2650 +0,0 @@ -# Italian translation for jmol -# Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2008. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Leonardo Corato \n" -"Language-Team: Italian \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Elemento?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol Script Console" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "File" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Chiude" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Aiuto" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Cerca" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Comandi" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "&Funzioni matematiche" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Imposta &Parametri" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Altro" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Editor" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Stato" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Esegui" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Cancella l'Output" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Cancella l'Input" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Cronologia" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Carica" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"premi CTRL-ENTER per una nuova linea o copia il modello di dati e premi " -"Carica" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"I messaggi appariranno qui. Inserisci i comandi nel box qui sotto. Clicca il " -"menu Help per ottenere aiuto on-line, che apparirà in una nuova finestra del " -"browser." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Editor di script Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Console" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Apri" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Fronte" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Script" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Verifica" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Sopra" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Passo" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pausa" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Riprendi" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Arresta" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Pulisce" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Chiude" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "File o URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Tipo di Immagine" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Qualità JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Compressione PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Qualità PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Sì" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "No" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Vuoi sovrascrivere il file {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Attenzione" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Tutti i File" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Annulla" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Esci schermata selezione file" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Dettagli" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Cartella" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Apri la cartella selezionata" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Attributi" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Modificato" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "File Generico" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Nome" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Nome File:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Dimensione" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "File di Tipo:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Tipo" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Aiuto" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Aiuto Scelta File" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Home" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Elenco" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Guarda in:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Errore nella creazione della nuova cartella" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Nuova Cartella" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Crea una Nuova Cartella" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Apri il file selezionato" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Salva" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Salva il file selezionato" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Salva In:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Aggiorna" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Aggiorna l'elenco delle cartelle" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Su" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Livello superiore" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Anteprima" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Accoda modelli" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"NOTA: le posizioni di idrogeno amidico Backbone presenti saranno ignorate. " -"Le loro posizioni saranno ravvicinate, come nelle analisi standard DSSP.\n" -"Usa {0} per non usare questa approssimazione.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"NOTA: Le posizioni di idrogeno amidico Backbone sono presenti e verranno " -"utilizzati. I risultati possono differire dagli standard di analisi DSSP.\n" -"Usa {0} per ignorare queste posizioni idrogeno.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arabo" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturiano" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosniaco" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Catalano" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Ceco" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Danese" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Tedesco" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Greco" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Inglese Australiano" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Inglese Britannico" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Inglese Americano" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Spagnolo" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estone" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "finlandese" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Faeroese" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Francese" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Frisone" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "Galiziano" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Croato" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Ungherese" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armeno" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesiano" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italiano" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Giapponese" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Giavanese" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Coreano" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Malese" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norvegese Bokmal" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Olandese" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitana" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polacco" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portoghese" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Portoghese brasiliano" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Russo" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Sloveno" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbo" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Svedese" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turco" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uiguro" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ucraino" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Cinese semplificato" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Cinese tradizionale" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Non posso ottenere la classe per il campo di forze {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Nessun atomo selezionato -- niente da fare!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomi saranno minimizzati." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "impossibile impostare il campo di forze {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "nuovo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "annulla (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "ripeti (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "centra" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "aggiungi idrogeni" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimizza" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "sistema gli idrogeni e minimizza" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "cancella" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "salva file" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "salva stato" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "anello stereochimico invertito" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "elimina atomo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "trascina al legame" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "trascina atomo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "trascina atomo (e minimizza)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "trascina e minimizza molecola (docking)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "aumento di carica" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "diminuzione di carica" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "elimina legame" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "singolo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "doppio" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "triplo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "per aumentare" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "per diminuire" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "ruota legame (SITFT-TRASCINA)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "esci dalla modalità modelkit" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Gruppo Spazio" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Nessuna" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Tutti" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} processori" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB totali" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB al massimo" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol Script Console" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Manuale Mouse" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Traduzioni" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Sistema" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Nessun atomo caricato" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Configurazioni" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Elemento" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Modello/Frame" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Lingua" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Per Nome di Residuo" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Per HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Orbitale molecolare ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Simmetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Informazioni sul modello" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Seleziona({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Tutti i {0} modelli" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Configurazioni ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Libreria di {0} modelli" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atomi: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "legami: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "gruppi: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "catene: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polimeri: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "modello {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Vista {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Menu principale" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolecole" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolecola {0} ({1} atomi)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "carica biomolecola {0} ({1} atomi)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Nessuna" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Mostra solo la Selezione" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Inverti Selezione" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Visualizza" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Fronte" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Sinistra" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Destra" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Sopra" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "In fondo" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Parte posteriore" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Assi" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Assi" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Assi" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Assi" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Assi" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Assi" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Proteina" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Backbone (Spina dorsale)" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Catene Laterali" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Residui Polari" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Residui Apolari" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Residui Basici (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Residui Acidi (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Residui Privi Di Carica" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nucleico" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Basi" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "Coppie AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "Coppie Gc" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "Coppie AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Struttura Secondaria" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Etero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Tutti gli \"HETATM\" PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Tutti i solventi" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Tutta l'Acqua" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Solvente non acquoso" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "HETATM non acquosi" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligando" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Carboidrato" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Nessuno dei precedenti" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Stile" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Schema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK Spacefill" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Sferette e Bastoni" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Sticks" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Wireframe" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Fumetto" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Traccia" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomi" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Disattivo" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Legami" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Attivo" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Legami ad Idrogeno" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Calcola" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Imposta Legame Idrogeno lungo la catena" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Imposta Legame Idrogeno lungo la catena principale" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Legame Disulfuro" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Imposta Legami disolfuro accanto la catena" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Imposta Legami disolfuro dietro la catena principale" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Strutture" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Cartoon Rockets" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Nastri" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Rockets" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Trefoli" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibrazione" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vettori" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Spettri" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pixels" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Scala {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereografico" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Lenti Rosso+Ciano" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Lenti Rosso+Blu" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Lenti Rosso+Verde" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Visualizzazione Incrociata" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Visualizzazione 3D" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Etichette" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Con Simbolo dell'Elemento" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Con Nome Atomico" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Con Numero Atomico" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Metti una Etichetta sull'Atomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Al centro" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "In Alto a Destra" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "In Basso a Destra" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "In Alto a Sinistra" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "In Basso a Sinistra" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Colore" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Secondo Schema" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Elemento (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Posizione Alternativa" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molecola" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Carica Formale" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Carica Parziale" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Temperatura (Relativa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Temperatura (Fissa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Amminoacido" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Catena" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Gruppo" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomero" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Proporzionato" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Eredita" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Nero" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Bianco" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Ciano" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Rosso" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Arancione" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Giallo" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Verde" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Blu" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indaco" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Viola" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Salmone" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Verde Oliva" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Marrone Rossiccio" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Grigio" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Slate Blue" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Oro" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orchidea" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Rendi Opaco" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Rendi Trasparente" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Sfondo" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Superfici" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Assi" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Boundbox" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Cella Unitaria" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Ingrandimento" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Ingrandisci" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Riduci Ingrandimento" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Rotazione" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Imposta il fattore per X" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Imposta il fattore per Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Imposta il fattore per Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Imposta FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animazione" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Modalità Animazione" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Riproduci Una Sola Volta" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindromo" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Ciclo" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Riproduci" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Stop" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Fotogramma Successivo" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Fotogramma Precedente" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Riavvolgi" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Inverti" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Riavvia" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Misurazioni" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Tutte le misurazioni iniziano e terminano con il Doppio-Clic" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Fare Clic per la misurazione della distanza" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Fare Clic per la misurazione dell'angolo" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Clicca per misurare l'angolo torsionale (diedro)" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Clicca su due atomi per visualizzare una sequenza nella console" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Cancella le misurazioni" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Elenca le misurazioni" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Unità di distanza in nanometri" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Unità di distanza in Ã…ngstrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Unità di distanza in picometri" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Imposta selezione" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Al centro" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identità" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Etichetta" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Seleziona atomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Seleziona catena" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Seleziona elemento" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "esci dalla modalità modelkit" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Seleziona gruppo" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Seleziona molecola" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Seleziona sito" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Mostra simmetria operazione" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Mostra" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol Script Console" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Contenuti del File" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Intestazione del File" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Isosuperficie dati JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Dati dell'orbitale molecolare JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Modello" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientazione" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Gruppo Spaziale" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Stato Attuale" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "File" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Ricarica" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Apri da PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Apri il file selezionato" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Apri" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Unità di carico completo cella" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Apri script" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Salva una copia di {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Salva script con stato" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Salva script con cronologia" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Esporta {0} immagine" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Salva tutto come file JMOL (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Salva isosuperficie JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Esporta {0} Modello 3D" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Computo" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Ottimizza struttura" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Kit Modello" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Estrai l'informazione MOL" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Superficie puntinata" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "Superficie di van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Superficie Molecolare" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Superficie del Solvente (sonda {0}-Angstrom )" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Superficie Accessibile al Solvente (VDW + {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Ricarica {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Ricarica {0} + Mostra {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Ricarica + Poliedri" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Nascondi" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Punteggiato" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Ampiezza in Pixel" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Ampiezza in Angstrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Selezione Aloni" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Mostra Idrogeni" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Mostra Misure" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Profondità della Prospettiva" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Colori di RasMol" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "A proposito di..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "ERRORE compilazione script: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "attesi assi x y z" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} non permesso con il modello di sfondo mostrato" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "numero di argomenti non valido" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Gli indici di Miller non possono essere tutti e tre zero" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "colore [R,G,B] mal formulato" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "atteso valore booleano" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "atteso un valore booleano o un numero" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "atteso un valore booleano, un numero o {0}" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "Impossibile impostare il valore" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "atteso un colore" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "si richiede un colore od una paletta (Jmol, Rasmol)" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "atteso comando" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} or $nome o (espressione atomo) richiesta" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "disegna gli oggetti non definiti" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "fine imprevista del comando script" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "valido (espressione atomo) previsto" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "(espressione atomo) o un numero intero previsto" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "atteso un nome file" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "file non trovato" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "argomenti incompatibili" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "argomenti insufficienti" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "atteso valore intero" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "intero fuori dal range ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "argomento non valido" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "ordine dei parametri non valido" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "attesa keyword" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "nessuna informazione disponibile sui coefficienti dei MO" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "Un indice di MO da 1 a {0} è richiesto" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" -"Nessuna informazione relativa alla base MO/coefficienti disponibile per " -"questo frame" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "Nessuna informazione sull'occupazione dei MO" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Solo un MO è disponibile in questo file" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} necessità uno o più modelli mostrati" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} richiede che un solo modello sia caricato" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Nessuna informazione disponibile" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Nessun cambiamento parziale è stato letto dal file; Jmol ha bisogno di " -"questi dati per il rendering dei dati MEP." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Nessuna cella unitaria" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "atteso numero" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "il numero deve essere ({0} or {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "numero decimale fuori dal range ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "nome oggetto atteso dopo '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"piano previsto - sia tre punti o espressioni di atomo o {0} o {1} o {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "nome di proprietà atteso" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "il gruppo spaziale {0} non è stato trovato" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "stringa tra virgolette prevista" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "stringa tra virgolette o identificatore previsto" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "sono stati specificati troppi punti di rotazione" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "troppi livelli di script" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "proprietà di atomo non riconosciuta" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "proprietà di legame non riconosciuta" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "comando non riconosciuto" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "espressione runtime non riconosciuta" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "oggetto non riconosciuto" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "parametro {0} inatteso" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "parametro {0} non riconosciuto in Jmol state script (imposta comunque)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "parametro SHOW non riconosciuto -- usa {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "cosa scrivere? Nome del file {0} o {1}" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "script ERROR: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "cancellati {0} atomi" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} legami idrogeno" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "file {0} creato" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "contesto non valido per {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "atteso { numero numero numero }" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "attesa fine dell'espressione" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "specificazione identificativo o residui previsto" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "specifica dell'atomo invalida" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "specifica della catena laterale invalida" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "espressione non valida simbolo: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "specifica del modello invalida" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "manca END per {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "atteso numero o nome di variabile" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "attesa specifica del residuo (ALA, AL?, A*)" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "atteso {0}" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} inatteso" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "espressione non riconosciuta simbolo : {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "simbolo sconosciuto: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} puntoni aggiunti" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "cancellate {0} connessioni" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} nuovi legami; {1} modificati" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Nota: In questo contatto è coinvolto più di un modello!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Clicca per i menu ..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet version2 {0} {1}.\n" -"\n" -"Un progetto OpenScience.\n" -"\n" -"Visita http://www.jmol.org per ulteriori informazioni." - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Errore nel file:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "assegna/nuovo atomo o legame (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "mostra menu di contesto recente (clicca su Jmol frank)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "elimina atomo (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "elimina legame (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "regolare la profondità (piano dietro, richiede {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "spostare atomo (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "sposta intero oggetto DISEGNO (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "spostare il punto di DISEGNO specifico (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "muovi etichetta (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "sposta atomo e minimizza molecole (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "sposta e minimizza molecole (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "spostare gli atomi selezionati (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "trascina gli atomi nella direzione Z (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simulare il multi-touch con il mouse)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "tradurre punto di navigazione (richiede {0}) e {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "scegliere un atomo" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "collega atomi (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "scegliere un punto isosuperficie (richiede {0}" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" -"scegliere una etichetta per attivarlo nascosto/visualizzato (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"scegliere un atomo da includere in una misura (dopo aver iniziato una " -"misurazione o dopo {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "scegliere un punto o atomo per la navigazione (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "scegliere un punto di DISEGNO (per le misurazioni) (richiede {0}" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "mostra il menu contestuale completo" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "reset (quando si spense il modello)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "ruotare" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "ruotare il ramo intorno al legame (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "ruota gli atomi selezionati (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "ruotare Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"ruotrare Z(movimento orizzontale del mouse) o zoom (movimento verticale del " -"mouse)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "seleziona un atomo (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "seleziona e sposta gli atomi (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "deseleziona questo gruppo di atomi (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "selezionare NULLA (richiede{0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" -"aggiungere questo gruppo di atomi a un insieme di atomi selezionati " -"(richiede {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "passa selezione (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"se tutti sono selezionati, deselezionare tutti, altrimenti aggiungere questo " -"gruppo di atomi a un insieme di atomi selezionati (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "scegliere un atomo di avviare o concludere una misura" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "regolare lastra (piano frontale, richiede {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" -"spostare lastra / finestra di profondità (entrambi i piani, richiede {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "zoom (lungo il bordo destro della finestra)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"cliccare su due punti a ruotare attorno al proprio asse in senso antiorario " -"(richiede {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"cliccare su due punti a ruotare attorno al proprio asse in senso orario " -"(richiede {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "stop motion (richiede {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" -"modello di rotazione (colpire e rilasciare il pulsante e fermare il " -"movimento simultaneamente)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "tradurre" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "zoom" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" -"scegliere un altro atomo, al fine di ruotare il modello attorno a un asse" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "scegliere due atomi in modo da ruotare il modello intorno a un asse" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "scegliere un altro atomo per visualizzare il rapporto di simmetria" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "scegliere due atomi per visualizzare il rapporto di simmetria fra loro" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Impostazione file di log su {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Impossibile impostare il percorso del file di registro." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} atomi nascosti" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atomi selezionati" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Trascinare per spostare l'etichetta" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "Gli appunti non sono accessibili - utilizzare applet firmati" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} idrogeni aggiunti" - -#~ msgid "Hide Symmetry" -#~ msgstr "Nascondi Simmetria" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Caricamento Jmol applet" - -#~ msgid " {0} seconds" -#~ msgstr " {0} secondi" - -#~ msgid "Java version:" -#~ msgstr "Versione java:" - -#~ msgid "1 processor" -#~ msgstr "1 processore" - -#~ msgid "unknown processor count" -#~ msgstr "conta dei processi sconosciuta" - -#~ msgid "Java memory usage:" -#~ msgstr "Utilizzo memoria java:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB liberi" - -#~ msgid "unknown maximum" -#~ msgstr "massimo sconosciuto" - -#~ msgid "Open file or URL" -#~ msgstr "Apri file o URL" diff --git a/qmpy/web/static/js/jsmol/idioma/ja.po b/qmpy/web/static/js/jsmol/idioma/ja.po deleted file mode 100644 index 3507e067..00000000 --- a/qmpy/web/static/js/jsmol/idioma/ja.po +++ /dev/null @@ -1,2637 +0,0 @@ -# Javanese translation for jmol -# Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2011. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Hiroshi Kihara \n" -"Language-Team: Japanese \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Country: Japan\n" -"X-Poedit-Language: Japanese\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "元素?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol スクリプト・コンソール" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "ファイル" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "é–‰ã˜ã‚‹" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "ヘルプ" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "検索" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "命令" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "数学関数" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "パラメータã®è¨­å®š" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "ã•ã‚‰ã«" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "エディタ" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "状態" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "実行" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "出力をクリアã™ã‚‹" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "入力をクリア" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "履歴" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "読ã¿è¾¼ã¿" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"改行ã™ã‚‹ã«ã¯Ctrl-Enterキーを押ã—ã¦ãã ã•ã„。ã¾ãŸã¯ãƒ‡ãƒ¼ã‚¿ã‚’ペーストã—ã¦[読ã¿è¾¼" -"ã¿]ボタンをクリックã—ã¦ãã ã•ã„。" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"メッセージã¯ã“ã“ã«è¡¨ç¤ºã•ã‚Œã¾ã™ã€‚下ã®ãƒœãƒƒã‚¯ã‚¹ã«ã‚³ãƒžãƒ³ãƒ‰ã‚’入力ã—ã¦ãã ã•ã„。コ" -"ンソールã®ãƒ˜ãƒ«ãƒ—メニューã®é …目をクリックã™ã‚‹ã¨ãƒ–ラウザã®æ–°ã—ã„ウィンドウã§ã‚ª" -"ンラインヘルプãŒè¡¨ç¤ºã•ã‚Œã¾ã™ã€‚" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol スクリプト・エディタ" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "コンソール" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "é–‹ã" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "å‰" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "スクリプト" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "ãƒã‚§ãƒƒã‚¯" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "トップ" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "ステップ" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "一時åœæ­¢" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "å†é–‹ã™ã‚‹" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "åœæ­¢" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "クリア" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "é–‰ã˜ã‚‹" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "ファイルã¾ãŸã¯URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "ç”»åƒã®ç¨®é¡ž" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG画質 ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG圧縮率 ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG画質 ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Yes" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "No" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "ファイル {0} を上書ãã—ã¾ã™ã‹ï¼Ÿ" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "警告" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "ã™ã¹ã¦ã®ãƒ•ã‚¡ã‚¤ãƒ«" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "キャンセル" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "ファイルé¸æŠžãƒ€ã‚¤ã‚¢ãƒ­ã‚°ã‚’中止" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "詳細" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "ディレクトリ" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "é¸æŠžã—ãŸãƒ‡ã‚£ãƒ¬ã‚¯ãƒˆãƒªã‚’é–‹ã" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "属性" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "変更ã•ã‚ŒãŸ" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "一般的ãªãƒ•ã‚¡ã‚¤ãƒ«" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "å称" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "ファイルå:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "サイズ" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "ファイルã®åž‹:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "タイプ" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "ヘルプ" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "ファイルé¸æŠžãƒ€ã‚¤ã‚¢ãƒ­ã‚°ã®ãƒ˜ãƒ«ãƒ—" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "ホーム" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "リスト" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "検索対象:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "æ–°è¦ãƒ•ã‚©ãƒ«ãƒ€ã®ä½œæˆä¸­ã«ã‚¨ãƒ©ãƒ¼ãŒç™ºç”Ÿã—ã¾ã—ãŸ" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "æ–°è¦ãƒ•ã‚©ãƒ«ãƒ€ãƒ¼" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "æ–°è¦ãƒ•ã‚©ãƒ«ãƒ€ã‚’作æˆã™ã‚‹" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "é¸æŠžã—ãŸãƒ•ã‚¡ã‚¤ãƒ«ã‚’é–‹ã" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "ä¿å­˜ã™ã‚‹" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "é¸æŠžã—ãŸãƒ•ã‚¡ã‚¤ãƒ«ã‚’ä¿å­˜ã™ã‚‹" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "ä¿å­˜:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "æ›´æ–°" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "ディレクトリ・リストã®æ›´æ–°" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Up" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "1ã¤ä¸Šã®ãƒ¬ãƒ™ãƒ«ã¸" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "プレビュー" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "モデルを追加ã™ã‚‹" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"注æ„: ãƒãƒƒã‚¯ãƒœãƒ¼ãƒ³ã®ã‚¢ãƒŸãƒ‰æ°´ç´ ã®ä½ç½®ã¯ç„¡è¦–ã•ã‚Œã¾ã™ã€‚ãれらã®ä½ç½®ã¯æ¨™æº–DSSP解" -"æžã®ã‚ˆã†ã«è¿‘ä¼¼ã•ã‚Œã¾ã™ã€‚\n" -"ã“ã®è¿‘似を用ã„ãªã„ãŸã‚ã«ã¯ {0}を使用ã—ã¦ãã ã•ã„。\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"注æ„: ãƒãƒƒã‚¯ãƒœãƒ¼ãƒ³ã®ã‚¢ãƒŸãƒ‰æ°´ç´ ã®ä½ç½®ãŒåˆ©ç”¨ã•ã‚Œã¾ã™ã€‚çµæžœã¯æ¨™æº–DSSP解æžã¨å¤§ã" -"ãç•°ãªã‚‹å¯èƒ½æ€§ãŒã‚ã‚Šã¾ã™ã€‚\n" -"ã“れらã®æ°´ç´ ã®ä½ç½®ã‚’無視ã™ã‚‹ã«ã¯ {0} を使用ã—ã¦ãã ã•ã„。\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "アラビア語" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "アストゥリアス語" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "ボスニア語" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "カタロニア語" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "ãƒã‚§ã‚³èªž" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "デンマーク語" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "ドイツ語" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "ギリシャ語" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "オーストラリア英語" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "イギリス英語" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "アメリカ英語" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "スペイン語" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "エストニア語" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "フィンランド語" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "フェロー語" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "フランス語" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "フリジア語" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "ガリシア語" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "クロアãƒã‚¢èªž" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "ãƒãƒ³ã‚¬ãƒªãƒ¼èªž" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "アルメニア語" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "インドãƒã‚·ã‚¢èªž" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "イタリア語" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "日本語" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "ジャワ語" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "韓国語" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "マレー語" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "ノルウェー語　ブークモール" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "オランダ語" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "オック語" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "ãƒãƒ¼ãƒ©ãƒ³ãƒ‰èªž" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "ãƒãƒ«ãƒˆã‚¬ãƒ«èªž" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "ãƒãƒ«ãƒˆã‚¬ãƒ«èªžï¼ˆãƒ–ラジル）" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "ロシア語" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "スロベニア語" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "セルビア語" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "スウェーデン語" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "タミル語" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "テルグ語" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "トルコ語" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "ウイグル語" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "ウクライナ語" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "中国語（簡体字）" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "中国語（ç¹ä½“字）" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "力場 {0} ã«å¯¾ã™ã‚‹ã‚¯ãƒ©ã‚¹ã‚’å–å¾—ã§ãã¾ã›ã‚“" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "原å­ãŒé¸æŠžã•ã‚Œã¦ã„ã¾ã›ã‚“ï¼ä½•ã‚‚ã§ãã¾ã›ã‚“。" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} 原å­ã‚’構造最é©åŒ–ã™ã‚‹" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "力場 {0}を設定ã§ãã¾ã›ã‚“" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "æ–°è¦" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "å…ƒã«æˆ»ã™ (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "ã‚„ã‚Šç›´ã— (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "中心" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "水素を付加ã™ã‚‹" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "構造最é©åŒ–" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "水素原å­ã¨ã®è·é›¢ã‚’一定ã«ã—ã¦æ§‹é€ æœ€é©åŒ–" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "クリア" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "構造をファイルã«ä¿å­˜" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "状態（イメージ）をä¿å­˜" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "ç’°ã®ç«‹ä½“化学をå転ã™ã‚‹" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "原å­ã‚’削除" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "ドラッグã—ã¦çµåˆã‚’作æˆ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "原å­ã‚’ドラッグ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "原å­ã‚’ドラッグ (ãã®å¾Œã€æ§‹é€ æœ€é©åŒ–ã™ã‚‹)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "ドラッグã—ã¦åˆ†å­ã‚’構造最é©åŒ– (ドッキング)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "é›»è·ã‚’増やã™" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "é›»è·ã‚’減らã™" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "çµåˆã‚’削除" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "å˜çµåˆ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "二é‡çµåˆ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "三é‡çµåˆ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "çµåˆæ¬¡æ•°ã‚’増やã™" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "çµåˆæ¬¡æ•°ã‚’減らã™" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "çµåˆã‚’回転ã•ã›ã‚‹(SHIFT-ドラッグ)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "モデル組立ã¦ãƒ¢ãƒ¼ãƒ‰ã‚’終了" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "空間群" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "ãªã—" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "ã™ã¹ã¦" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} プロセッサ" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "åˆè¨ˆ {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "最大 {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol スクリプト・コンソール" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "マウスã®ä½¿ã„æ–¹" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "翻訳" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "システム" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "何も原å­ãŒèª­ã¿è¾¼ã¾ã‚Œã¦ã„ã¾ã›ã‚“" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "立体é…ç½®" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "元素" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "モデル/フレーム" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "言語" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "残基ã®ç¨®é¡žã§" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "HETATMã§" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "分å­è»Œé“ ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "対称性" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "モデル情報" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "é¸æŠž ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "ã™ã¹ã¦ã® {0} モデル" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "立体é…ç½® ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "{0} モデルã®é›†åˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "原å­: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "çµåˆ: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "基: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "鎖: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "ãƒãƒªãƒžãƒ¼: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "モデルl {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "{0}を表示" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "メインメニュー" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "生体分å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "ç”Ÿä½“åˆ†å­ {0} ({1} 原å­)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "ç”Ÿä½“åˆ†å­ {0}を読ã¿è¾¼ã‚€ ({1} 原å­)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "ãªã—" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "é¸æŠžã—ãŸã‚‚ã®ã ã‘を表示" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "é¸æŠžç¯„囲をå転" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "表示" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "å‰" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "å·¦" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "å³" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "上" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "下" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "後" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "タンパク質" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "ãƒãƒƒã‚¯ãƒœãƒ¼ãƒ³" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "å´éŽ–" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "極性残基" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "éžæ¥µæ€§æ®‹åŸº" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "塩基性残基 (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "酸性残基 (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "éžè·é›»æ€§æ®‹åŸº" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "核酸" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "塩基" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT対" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC対" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU対" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "二次構造" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "ヘテロ" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "ã™ã¹ã¦ã®PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "ã™ã¹ã¦ã®æº¶åª’" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "ã™ã¹ã¦ã®æ°´åˆ†å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "éžæ°´æº¶åª’" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "水以外ã®ãƒ˜ãƒ†ãƒ­åŽŸå­" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "é…ä½å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "炭水化物" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "上ã®ã©ã‚Œã§ã‚‚ãªã„" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "スタイル" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "モデルã®è¡¨ç¤ºæ–¹æ³•" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK 空間充填" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "棒çƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "棒" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "ワイヤフレーム" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "カートゥーン" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "トレース" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "原å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "オフ" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "van der WaalsåŠå¾„ã®{0}%" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "çµåˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "オン" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "æ°´ç´ çµåˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "計算ã™ã‚‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "å´éŽ–ã«æ°´ç´ çµåˆã‚’設定" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "ãƒãƒƒã‚¯ãƒœãƒ¼ãƒ³ã«æ°´ç´ çµåˆã‚’設定" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "ジスルフィドçµåˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "å´éŽ–ã«ã‚¸ã‚¹ãƒ«ãƒ•ã‚£ãƒ‰çµåˆã‚’設定" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "ãƒãƒƒã‚¯ãƒœãƒ¼ãƒ³ã«ã‚¸ã‚¹ãƒ«ãƒ•ã‚£ãƒ‰çµåˆã‚’設定" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "構造" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "カーツゥーン・ロケット" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "リボン" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "ロケット" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "ストランド" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "振動" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "ベクトル" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} ピクセル" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "{0} å€" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "立体視ã®æ–¹å¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "赤+é’ç·‘ 立体視眼é¡" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "赤+é’ ç«‹ä½“è¦–çœ¼é¡" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "赤+ç·‘ 立体視眼é¡" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "交差法ã«ã‚ˆã‚‹ç«‹ä½“視" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "平行法ã«ã‚ˆã‚‹ç«‹ä½“視" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "ラベル" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "元素記å·" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "原å­å" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "原å­ç•ªå·" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "表示ä½ç½®" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "中心ã«" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "å³è‚©" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "å³ä¸‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "左肩" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "左下" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "色" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "スキームã§" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "元素（CPKモデル）" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "別ãªå ´æ‰€" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "分å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "å½¢å¼é›»è·" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "部分電è·" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "温度（相対）" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "温度（固定)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "アミノ酸" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "鎖" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "基" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "モノマー" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Shapely" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "継承" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "é»’" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "白" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "é’ç·‘" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "赤" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "æ©™" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "黄色" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "ç·‘" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "é’" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "è—" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "ç´«" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "サーモン" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "オリーブ色" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "栗色" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "ç°è‰²" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "スレートブルー(é’ç°è‰²)" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "金色" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "オーキッド(薄赤紫)" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "ä¸é€æ˜Žã«ã™ã‚‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "åŠé€æ˜Žã«ã™ã‚‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "背景" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "ãƒã‚¦ãƒ³ãƒ‰ãƒœãƒƒã‚¯ã‚¹" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "å˜ä½æ ¼å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "ズーム" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "表示を拡大" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "表示を縮å°" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "回転" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "X軸ã®å›žã‚Šã®å›žè»¢é€Ÿåº¦" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Y軸ã®å›žã‚Šã®å›žè»¢é€Ÿåº¦" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Z軸ã®å›žã‚Šã®å›žè»¢é€Ÿåº¦" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "FPSを設定" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "アニメーション" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "アニメーション・モード" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "一度実行ã™ã‚‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "往復繰り返ã—" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "ループ" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "å†ç”Ÿ" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "åœæ­¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "次ã®ãƒ•ãƒ¬ãƒ¼ãƒ " - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "å‰ã®ãƒ•ãƒ¬ãƒ¼ãƒ " - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "å·»ã戻ã—" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "逆転" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "å†èµ·å‹•" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "計測" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "始点ã¨çµ‚点ã§ãƒ€ãƒ–ルクリックã—ã¦è¨ˆæ¸¬" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "クリックã—ã¦è·é›¢ã‚’計測" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "クリックã—ã¦çµåˆè§’を計測" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "クリックã—ã¦äºŒé¢è§’を計測" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "2原å­ã‚’クリックã—ã¦ã‚³ãƒ³ã‚½ãƒ¼ãƒ«ã«é †åºã‚’表示" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "計測値を消去" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "計測値をコンソールã«è¡¨ç¤º" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "é•·ã•ã®å˜ä½ ナノメータ" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "é•·ã•ã®å˜ä½ オングストローム" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "é•·ã•ã®å˜ä½ ピコメータ" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "クリックã®æ©Ÿèƒ½" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "中心" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "原å­ã®ç•ªå·ã¨ä½ç½®" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "ラベル" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "原å­ã‚’é¸æŠž" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "鎖をé¸æŠž" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "元素をé¸æŠž" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "モデル組立ã¦ãƒ¢ãƒ¼ãƒ‰ã‚’終了" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "基をé¸æŠž" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "分å­ã‚’é¸æŠž" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "サイトをé¸æŠž" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "対称æ“作を表示" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "表示" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol スクリプト・コンソール" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "ファイルã®å†…容" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "ファイルã®ãƒ˜ãƒƒãƒ€ãƒ¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "等高é¢JVXLデータ" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "分å­è»Œé“ã®JVXLデータ" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "モデル" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "æ–¹å‘" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "空間群" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "ç¾åœ¨ã®çŠ¶æ…‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "ファイル" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "å†èª­ã¿è¾¼ã¿" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "PDBã‹ã‚‰é–‹ã" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "é¸æŠžã—ãŸãƒ•ã‚¡ã‚¤ãƒ«ã‚’é–‹ã" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "é–‹ã" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "å…¨å˜ä½æ ¼å­ã‚’読ã¿è¾¼ã‚€" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "スクリプトを開ã" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "{0}ã®ã‚³ãƒ”ーをä¿å­˜" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "状態ã¨ã‚¹ã‚¯ãƒªãƒ—トをä¿å­˜ã™ã‚‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "履歴ã¨ã‚¹ã‚¯ãƒªãƒ—トをä¿å­˜ã™ã‚‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "{0} イメージを書ã出ã™" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "ã™ã¹ã¦ã‚’JMOLファイル (zip)ã¨ã—ã¦ä¿å­˜" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "JVXL等高é¢ã‚’ä¿å­˜" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "{0} 3Dモデルを書ã出ã™" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "計算" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "構造最é©åŒ–" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "モデル組立ã¦" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "MOLデータを抽出" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "点ã§æã" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "van der Waals 表é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "分å­è¡¨é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "æº¶åª’è¡¨é¢ ({0}-オングストローム・プローブ)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "æº¶åª’æŽ¥è§¦è¡¨é¢ (VDW + {0} オングストローム)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "{0}ã‚’å†èª­ã¿è¾¼ã¿ã™ã‚‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "{0}ã‚’å†èª­ã¿è¾¼ã¿ã—{1}を表示" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "å†èª­ã¿è¾¼ã¿ + 多é¢ä½“" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "éžè¡¨ç¤º" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "点線" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "ピクセル幅" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "オングストローム幅" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "é¸æŠžå¯¾è±¡ã‚’暈ã§å›²ã‚€" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "水素を表示" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "è·é›¢ã‚„角度を表示" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "視点ã®å¥¥è¡Œã" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMollã§ä½¿ã‚ã‚Œã¦ã„る色" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Jmolã«ã¤ã„ã¦..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "スクリプト・コンパイラ　エラー: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "x y z 軸を指定ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} 背景モデルãŒè¡¨ç¤ºã•ã‚Œã¦ã„ã‚‹å ´åˆã¯ä½¿ç”¨ã§ãã¾ã›ã‚“。" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "引数ã®æ•°ãŒèª¤ã£ã¦ã„ã¾ã™" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "ミラー指数ã¯ã™ã¹ã¦0ã«ã¯ã§ãã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "[R,G,B] 色指定ãŒæ­£ã—ãã‚ã‚Šã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "ブール値を入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "ブール値ã¾ãŸã¯æ•°å€¤ã‚’入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "ブール値ã€æ•°å€¤ã¾ãŸã¯{0} を入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "色を指定ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "色ã¾ãŸã¯ãƒ‘レットå (Jmol, Rasmol)ãŒå¿…è¦ã§ã™" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "命令を入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} ã¾ãŸã¯$name ã‚ã‚‹ã„ã¯ï¼ˆåŽŸå­å¼ï¼‰ãŒå¿…è¦ã§ã™" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "æ画オブジェクトãŒå®šç¾©ã•ã‚Œã¦ã„ã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "スクリプトコマンドãŒäºˆæœŸã›ãšçµ‚了ã—ã¾ã—ãŸ" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "æ­£ã—ã„ (原å­å¼) を入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "(原å­å¼) ã¾ãŸã¯æ•´æ•°ã‚’入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "ファイルåを指定ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "ファイルãŒè¦‹ã¤ã‹ã‚Šã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "引数ãŒçŸ›ç›¾ã—ã¦ã„ã¾ã™" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "引数ãŒè¶³ã‚Šã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "整数を入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "整数㌠({0} - {1})ã®ç¯„囲を超ãˆã¦ã„ã¾ã™" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "引数ãŒä¸æ­£ã§ã™" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "パラメータã®é †åºãŒä¸æ­£ã§ã™" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "キーワードを指定ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "MOã®ä¿‚数データãŒã‚ã‚Šã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "分å­è»Œé“ã‚’1 ã‹ã‚‰ {0}ã®é–“ã§æŒ‡å®šã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "ã“ã®ãƒ•ãƒ¬ãƒ¼ãƒ ã«å¯¾ã™ã‚‹MO基底関数/係数データãŒã‚ã‚Šã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "分å­è»Œé“ã®å æœ‰é›»å­æ•°ãƒ‡ãƒ¼ã‚¿ãŒã‚ã‚Šã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "ã“ã®ãƒ•ã‚¡ã‚¤ãƒ«ã§ã¯ä¸€ã¤ã®åˆ†å­è»Œé“ã—ã‹åˆ©ç”¨ã§ãã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} ã¯ãƒ¢ãƒ‡ãƒ«ãŒ1ã¤ã ã‘表示ã•ã‚Œã¦ã„ã‚‹å¿…è¦ãŒã‚ã‚Šã¾ã™" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} ã¯ãƒ¢ãƒ‡ãƒ«ãŒ1ã¤ã ã‘読ã¿è¾¼ã¾ã‚Œã¦ã„ã‚‹å¿…è¦ãŒã‚ã‚Šã¾ã™" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "データãŒã‚ã‚Šã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Jmolã§MEPデータを表示ã™ã‚‹ã®ã«å¿…è¦ãªéƒ¨åˆ†é›»è·ãŒãƒ•ã‚¡ã‚¤ãƒ«ã‹ã‚‰èª­ã¿è¾¼ã¾ã‚Œã¦ã„ã¾ã›" -"ん。" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "å˜ä½æ ¼å­ãŒã‚ã‚Šã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "数値を入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "æ•°ã¯({0} ã¾ãŸã¯ {1}) ã§ãªã‘ã‚Œã°ãªã‚Šã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "å°æ•°ç‚¹æ•°ãŒ ({0} - {1}) ã®ç¯„囲を超ãˆã¦ã„ã¾ã™" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "'$' ã®å¾Œã«ã‚ªãƒ–ジェクトã®åå‰ã‚’指定ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "三点ã€åŽŸå­å¼ã€ {0} ã€{1} ã¾ãŸã¯ {2}ã®ã„ãšã‚Œã‹ã§å¹³é¢ã‚’指定ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "プロパティã®åå‰ã‚’指定ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "空間群 {0} ãŒè¦‹ã¤ã‹ã‚Šã¾ã›ã‚“" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "文字列を入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "文字列をã¾ãŸã¯è­˜åˆ¥å­ã‚’入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "回転軸を指定ã™ã‚‹ãŸã‚ã®ç‚¹ã®æ•°ãŒå¤šã™ãŽã¾ã™" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "スクリプトã®ãƒ¬ãƒ™ãƒ«ãŒå¤šã™ãŽã¾ã™" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "èªè­˜ã§ããªã„原å­ã®ãƒ—ロパティ" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "èªè­˜ã§ããªã„çµåˆã®ãƒ—ロパティ" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "èªè­˜ã§ããªã„命令" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "実行時ã«èªè­˜ã§ããªã„表ç¾" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "èªè­˜ã§ããªã„オブジェクト" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "èªè­˜ã§ããªã„ {0} パラメーター" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" -"Jmol state スクリプトã§ã®èªè­˜ã§ããªã„ {0} パラメーター (ã„ãšã‚Œã«ã›ã‚ˆè¨­å®š)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "èªè­˜ã§ããªã„SHOWパラメータ -- use {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "何を書ãã¾ã™ã‹? {0} ã¾ãŸã¯ {1} \"ファイルå\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "スクリプト エラー: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} 原å­ãŒå‰Šé™¤ã•ã‚Œã¾ã—ãŸ" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} æ°´ç´ çµåˆ" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "ファイル {0} ãŒä½œæˆã•ã‚Œã¾ã—ãŸ" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "{0} ã«å¯¾ã—ã¦ç„¡åŠ¹ãªã‚³ãƒ³ãƒ†ã‚­ã‚¹ãƒˆã§ã™" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ æ•° æ•° æ•° } を入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "å¼ã®æœ€å¾Œã‚’指定ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "識別å­ã¾ãŸã¯æ®‹åŸºã‚’指定ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "原å­ã®æŒ‡å®šãŒç„¡åŠ¹ã§ã™" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "鎖ã®æŒ‡å®šãŒç„¡åŠ¹ã§ã™" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "å¼ã®ãƒˆãƒ¼ã‚¯ãƒ³: {0}ãŒç„¡åŠ¹ã§ã™" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "モデルã®æŒ‡å®šãŒç„¡åŠ¹ã§ã™" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "{0}ã«å¯¾ã™ã‚‹ENDãŒã‚ã‚Šã¾ã›ã‚“" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "数値ã¾ãŸã¯å¤‰æ•°åを入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "残基 (ALA, AL?, A*) を指定ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} を入力ã—ã¦ãã ã•ã„" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} ã¯æƒ³å®šã•ã‚Œã¦ã„ã¾ã›ã‚“" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "èªè­˜ã§ããªã„å¼ã®ãƒˆãƒ¼ã‚¯ãƒ³: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "èªè­˜ã§ããªã„トークン: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} ストラットãŒè¿½åŠ ã•ã‚Œã¾ã—ãŸ" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} 原å­ãŒå‰Šé™¤ã•ã‚Œã¾ã—ãŸ" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "æ–°è¦çµåˆ {0} ; 変更 {1}" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "注æ„: 複数ã®ãƒ¢ãƒ‡ãƒ«ãŒã“ã®æŽ¥è§¦ã«é–¢ä¸Žã—ã¦ã„ã¾ã™ï¼" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "クリックã—ã¦ãƒ¡ãƒ‹ãƒ¥ãƒ¼ã‚’表示..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmolアプレット ãƒãƒ¼ã‚¸ãƒ§ãƒ³ {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"詳ã—ã㯠http://www.jmol.org ã‚’å‚ç…§ã—ã¦ãã ã•ã„" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "ファイルエラー:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "原å­ã¾ãŸã¯çµåˆã®å‰²ã‚Šå½“ã¦/æ–°è¦ä½œæˆ ({0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" -"最近ã®ã‚³ãƒ³ãƒ†ã‚­ã‚¹ãƒˆãƒ¡ãƒ‹ãƒ¥ãƒ¼ã‚’ãƒãƒƒãƒ—アップ表示ã™ã‚‹(å³ä¸‹ã®Jmolロゴをクリック)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "原å­ã‚’削除ã™ã‚‹ ( {0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "çµåˆã‚’削除ã™ã‚‹ ( {0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "深度を調節ã™ã‚‹ (後é¢; {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "原å­ã‚’移動ã™ã‚‹ ( {0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "ã™ã¹ã¦ã®DRAWオブジェクトトを移動ã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "特定ã®DRAWãƒã‚¤ãƒ³ãƒˆã‚’移動ã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "ラベルを移動ã™ã‚‹ ( {0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "移動ã—ã¦åˆ†å­ã‚’構造最é©åŒ–ã™ã‚‹ ( {0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "移動ã—ã¦åˆ†å­ã‚’構造最é©åŒ–ã™ã‚‹ ( {0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "é¸æŠžã•ã‚ŒãŸåŽŸå­ã‚’移動ã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "Z軸方å‘ã«åŽŸå­ã‚’ドラッグã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "マウスを使ã£ã¦ãƒžãƒ«ãƒã‚¿ãƒƒãƒã‚’シミュレートã™ã‚‹" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "ナビゲーションãƒã‚¤ãƒ³ãƒˆã‚’平行移動 ({0} 㨠{1} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "原å­ã‚’é¸æŠžã™ã‚‹" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "原å­ã‚’接続ã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "等高é¢ä¸Šã®ç‚¹ã‚’é¸æŠžã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "ラベルをé¸æŠžã—ã¦è¡¨ç¤º/éžè¡¨ç¤ºã‚’切り替ãˆã‚‹ ({0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "(計測を開始ã—ãŸå¾Œã¾ãŸã¯{0} ã®å¾Œã«)計測ã«å«ã‚ã‚‹ãŸã‚ã«åŽŸå­ã‚’é¸æŠžã™ã‚‹" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "( {0} ãŒå¿…è¦)ã«ç§»å‹•ã•ã›ã‚‹ãŸã‚ã«åŽŸå­ã‚’é¸æŠžã™ã‚‹" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "(計測ã®ãŸã‚ã«)DRAWãƒã‚¤ãƒ³ãƒˆã‚’é¸æŠžã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "完全ãªã‚³ãƒ³ãƒ†ã‚­ã‚¹ãƒˆãƒ¡ãƒ‹ãƒ¥ãƒ¼ã‚’ãƒãƒƒãƒ—アップ表示ã™ã‚‹" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "リセット (モデル以外ã®å ´æ‰€ã‚’クリックã—ãŸæ™‚)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "回転ã•ã›ã‚‹" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "çµåˆã®å›žã‚Šã«åˆ†æžã‚’回転ã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "é¸æŠžã•ã‚ŒãŸåŽŸå­ã‚’回転ã•ã›ã‚‹ ( {0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "Z軸ã®å›žã‚Šã®å›žè»¢" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"Z軸ã®å›žã‚Šã®å›žè»¢(マウスã®æ¨ªæ–¹å‘移動) ã¾ãŸã¯è¡¨ç¤ºã®æ‹¡å¤§(マウスã®ç¸¦æ–¹å‘移動)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "原å­ã‚’é¸æŠžã—ã¦ãã ã•ã„ ( {0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "é¸æŠžã—ã¦åŽŸå­ã‚’ドラッグã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "ã“ã®åŽŸå­ã®ã‚°ãƒ«ãƒ¼ãƒ—ã®é¸æŠžã‚’解除ã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "é¸æŠžãªã— ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "é¸æŠžã•ã‚ŒãŸåŽŸå­ã®ã‚»ãƒƒãƒˆã«ã“ã®åŽŸå­ã®ã‚°ãƒ«ãƒ¼ãƒ—を追加ã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "é¸æŠžã‚’トグルã§åˆ‡ã‚Šæ›ãˆã‚‹ ( {0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"ã™ã¹ã¦ãŒé¸æŠžã•ã‚Œã¦ã„ã‚‹å ´åˆã¯ã™ã¹ã¦ã‚’é¸æŠžè§£é™¤ã—ã¦ãã ã•ã„。ã•ã‚‚ãªã‘ã‚Œã°ã€é¸æŠž" -"ã•ã‚ŒãŸåŽŸå­ã®é›†åˆã«ã“ã®ã‚°ãƒ«ãƒ¼ãƒ—ã®åŽŸå­ã‚’追加ã—ã¦ãã ã•ã„。( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "原å­ã‚’é¸æŠžã—ã¦è¨ˆæ¸¬ã‚’開始ã¾ãŸã¯çµ‚了ã™ã‚‹" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "スラブを調節ã™ã‚‹ (å‰é¢; {0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "スラブ/深度ウィンドウを移動ã™ã‚‹ (両é¢; {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "ズーム（ウィンドウã®å³ç¸ã«æ²¿ã£ã¦ï¼‰" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "2点をクリックã—ã¦è»¸ã®å›žã‚Šã«å時計回りã«å›žè»¢ã•ã›ã‚‹ ({0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "2点をクリックã—ã¦è»¸ã®å›žã‚Šã«æ™‚計回りã«å›žè»¢ã•ã›ã‚‹ ({0}ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "動作をåœæ­¢ã™ã‚‹ ( {0} ãŒå¿…è¦)" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "モデルを回転ã•ã›ã‚‹(スワイプã—ã¦ãƒœã‚¿ãƒ³ã‚’離ã™ã¨åŒæ™‚ã«åœæ­¢ã—ã¾ã™)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "移動ã•ã›ã‚‹" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "ズーム" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "モデルを軸ã®å›žã‚Šã§å›žè»¢ã•ã›ã‚‹ãŸã‚ã«ã‚‚ã†ï¼‘ã¤ã®åŽŸå­ã‚’é¸æŠžã™ã‚‹" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "モデルを軸ã®å›žã‚Šã§å›žè»¢ã•ã›ã‚‹ãŸã‚ã«ï¼’ã¤ã®åŽŸå­ã‚’é¸æŠžã™ã‚‹" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "対称性ã®é–¢ä¿‚を表示ã™ã‚‹ãŸã‚ã«ã‚‚ã†ï¼‘ã¤ã®åŽŸå­ã‚’é¸æŠžã™ã‚‹" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "対称性ã®é–¢ä¿‚を表示ã™ã‚‹ãŸã‚ã«2ã¤ã®åŽŸå­ã‚’é¸æŠžã™ã‚‹" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "ログファイルを {0} ã«è¨­å®šã™ã‚‹" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "ログファイルã®ãƒ‘スを設定ã§ãã¾ã›ã‚“" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} 原å­ãŒéžè¡¨ç¤ºã§ã™" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} 原å­ãŒé¸æŠžã•ã‚Œã¦ã„ã¾ã™" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "ドラッグã—ã¦ãƒ©ãƒ™ãƒ«ã‚’移動" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "クリップボードã¯åˆ©ç”¨ã§ãã¾ã›ã‚“ -- ç½²å付ãアプレットを利用ã—ã¦ãã ã•ã„" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} 個ã®æ°´ç´ ãŒä»˜åŠ ã•ã‚Œã¾ã—ãŸ" - -#~ msgid "Hide Symmetry" -#~ msgstr "対称性をéžè¡¨ç¤º" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Jmolアプレットを読ã¿è¾¼ã‚“ã§ã„ã¾ã™ ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} 秒" - -#~ msgid "Java version:" -#~ msgstr "Java ãƒãƒ¼ã‚¸ãƒ§ãƒ³:" - -#~ msgid "1 processor" -#~ msgstr "1 プロセッサ" - -#~ msgid "unknown processor count" -#~ msgstr "プロセッサ数　ä¸æ˜Ž" - -#~ msgid "Java memory usage:" -#~ msgstr "Java メモリ使用é‡:" - -#~ msgid "{0} MB free" -#~ msgstr "未使用 {0} MB" - -#~ msgid "unknown maximum" -#~ msgstr "最大値　ä¸æ˜Ž" - -#~ msgid "Open file or URL" -#~ msgstr "ファイルã¾ãŸã¯URLã‚’é–‹ã" diff --git a/qmpy/web/static/js/jsmol/idioma/jv.po b/qmpy/web/static/js/jsmol/idioma/jv.po deleted file mode 100644 index 6386176d..00000000 --- a/qmpy/web/static/js/jsmol/idioma/jv.po +++ /dev/null @@ -1,2585 +0,0 @@ -# Javanese translation for jmol -# Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2011. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: zaenal arifin \n" -"Language-Team: Javanese \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol Script Console" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Tutup" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Bantu" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Ngluru..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Perintahe" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Matematiko & Fungsine" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Set &Parameters" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Luweh" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Penyusun" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Negoro" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Mblayu" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Ngresikno Output" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Ngresiki Input" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Petilasan" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Ngemot" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"pejet CTRL-ENTER kanggo garis anyar utowo templekno modele doto lan pejet " -"Load" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Messages pingen dipetuk'i ningkene. Enter commands in the box below. Click " -"the console Help menu item for on-line help, which will appear in a new " -"browser window." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol Script Editor" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konsolan" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Mengo" - -#: org/jmol/console/ScriptEditor.java:143 -msgid "Font" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Script" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Check" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" -"Duwur[as in \"go to the top\" - (translators: remove this bracketed part]" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Langkahe" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Mandeg sakmentoro" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Mbaleni meneh" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Berenti" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Resik" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Tutup" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "File utowo URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Type gambar" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG Quality ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG Compression ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG Quality ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "yo i" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Mboten" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Opo kowe pingin numpuki file {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Peringatno" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Sedoyo file" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Rak sido" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Mbatalke file pemilih dialog" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Rinci" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Direktori" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Mbukak pilihan direktori" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Kelengkapan" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Modifikasi" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Brekas turunan" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Jenenge" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "nami berkas" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "ukur" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Berkas seko Type:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Jenis" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Bantu" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Bantu FileChooser" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Berondo" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Daftar" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Ndelok ning:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -msgid "none" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol Script Console" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -msgid "Axis x" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -msgid "Axis y" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -msgid "Axis z" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -msgid "Axis a" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -msgid "Axis b" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -msgid "Axis c" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol Script Console" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -msgid "Open local file" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Mengo" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"Deloki http://www.jmol.org for more information" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Berkase keliru:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Ngemot Jmol applet ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} seconds" diff --git a/qmpy/web/static/js/jsmol/idioma/ko.po b/qmpy/web/static/js/jsmol/idioma/ko.po deleted file mode 100644 index f71e1de0..00000000 --- a/qmpy/web/static/js/jsmol/idioma/ko.po +++ /dev/null @@ -1,2617 +0,0 @@ -# Translation file of the JmolApplet for Korean. -# Copyright (C) 1998-2008 The Jmol Development Team -# This file is distributed under the same license as the Jmol package. -# Won-Kyu Park , 2008. -# -msgid "" -msgstr "" -"Project-Id-Version: Jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Bundo \n" -"Language-Team: Korean \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol 스í¬ë¦½íŠ¸ 콘솔" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "파ì¼" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "닫기" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "ë„움ë§(&H)" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "찾기(&S)..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "명령(&C)" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "수학 함수(&F)" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "파ë¼ë©”í„° 설정(&P)" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "편집ìž" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "ìƒíƒœ" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "실행" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "출력 지우기" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "ìž…ë ¥ 지우기" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "기ë¡" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "불러옴" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"CTRL-ENTER를 누르면 다ìŒì¤„ë¡œ 넘어가며 í˜¹ì€ ëª¨ë¸ ë°ì´íƒ€ë¥¼ 붙여넣기한 í›„ì— ë¶ˆëŸ¬" -"ì˜´ì„ ëˆ„ë¥´ì„¸ìš”" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol 스í¬ë¦½íŠ¸ 편집기" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "콘솔" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "열기" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "ì•žë©´" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "스í¬ë¦½íŠ¸" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "검사" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "단계" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "멈춤" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "다시" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "ë내기" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "지우기" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "닫기" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "íŒŒì¼ í˜¹ì€ URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "그림 형ì‹" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG 화질 ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG 압축 ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG 품질 ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "확ì¸" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "취소" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "íŒŒì¼ {0}ì„(를) ë®ì–´ì“¸ê¹Œìš”?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "주ì˜" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "모든 파ì¼" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "취소" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "íŒŒì¼ ì„ íƒ ëŒ€í™”ì°½ 취소" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "ìžì„¸ížˆ" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "디렉토리" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "ì„ íƒëœ 디렉토리 열기" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "ì†ì„±" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "수정ë¨" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "ì¼ë°˜ 파ì¼" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "ì´ë¦„" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "íŒŒì¼ ì´ë¦„:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "í¬ê¸°" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "íŒŒì¼ í˜•ì‹:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "종류" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "ë„움ë§" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "íŒŒì¼ ì„ íƒê¸° ë„움ë§" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "홈" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "목ë¡" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "보기 ë°©ì‹:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "새 í´ë” 만들기 실패" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "새 í´ë”" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "새 í´ë” 만들기" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "ì„ íƒí•œ íŒŒì¼ ì—´ê¸°" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "저장" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "ì„ íƒí•œ íŒŒì¼ ì €ìž¥" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "갱신" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "디렉토리 리스트 갱신" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "위로" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "ìƒìœ„ í´ë”" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "확ì¸" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "미리보기" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "ëª¨ë¸ ì¶”ê°€" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "ì•„ëžì–´" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "카탈로니아어" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "체코어" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "ë´ë§ˆí¬ì–´" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "ë…ì¼ì–´" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "그리스어" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "ì˜êµ­ ì˜ì–´" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "미국 ì˜ì–´" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "스페ì¸ì–´" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "ì—스토니아어" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "프랑스어" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "í—가리어" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "ì¸ë„네시아어" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "ì´íƒˆë¦¬ì•„ì–´" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "ì¼ë³¸ì–´" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "한국어" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "노르웨ì´ì–´" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "네ë¸ëž€ë“œì–´" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "오시탄어" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "í´ëž€ë“œì–´" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "í¬ë£¨íˆ¬ê°ˆì–´" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "í¬ë£¨íˆ¬ê°ˆì–´(브ë¼ì§ˆ)" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "러시아어" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "슬로베니아어" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "스웨ë´ì–´" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "터키어" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "ìš°í¬ë¼ì´ë‚˜ì–´" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "중국어 ê°„ì²´" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "중국어 번체" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "í¬ìŠ¤í•„ë“œ {0}ì„(를) 위한 í´ëž˜ìŠ¤ë¥¼ 가져올 수 ì—†ìŒ" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "아무 ì›ìžë„ ì„ íƒì•ˆë¨ -- 실행 안함!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} ì›ìžë¥¼ 최ì í™”하려 함" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "í¬ìŠ¤í•„ë“œ {0}(ì„)를 설정할 수 ì—†ìŒ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "중앙" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "ì—†ìŒ" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "모ë‘" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} 프로세서" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "ì´ {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB 최대" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol 스í¬ë¦½íŠ¸ 콘솔" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "마우스 설명서" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "번역" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "시스템" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "ì›ìž ì—†ìŒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "구성" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "ì›ì†Œ" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "모ë¸/프레임" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "언어" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Residue ì´ë¦„으로" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "HETATM으로" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "대칭" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "ëª¨ë¸ ì •ë³´" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "ì„ íƒ ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "ì „ì²´ {0} 모ë¸" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "구성 ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "{0} 모ë¸ì˜ 콜렉션" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "ì›ìž: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "ê²°í•©: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "그룹: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "ì²´ì¸: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "중합체: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "ëª¨ë¸ {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "ë·° {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "주 메뉴" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "ë°”ì´ì˜¤ë¶„ìž" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "ë°”ì´ì˜¤ë¶„ìž {0} ({1}ê°œ ì›ìž)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "ë°”ì´ì˜¤ë¶„ìž {0} 부르기 ({1}ê°œ ì›ìž)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "ì—†ìŒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "ì„ íƒí•œ 것만 보기" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "ì„ íƒ ë°˜ì „" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "보기" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "ì•žë©´" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "왼쪽" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "오른쪽" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "아래" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "ë’·ë©´" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "축" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "축" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "축" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "축" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "축" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "축" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "단백질" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "백본" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "ê³ê°€ì§€ ì²´ì¸" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "극성 Residues" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "무극성 Residues" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "기본 Residues (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "산성 Residues (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "무전하 Residues" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "핵산" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "염기" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT ì§" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC ì§" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU ì§" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "ì œ2 스트럭ì³" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "헤테로" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "PDBì˜ ëª¨ë“  \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "모든 용매" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "모든 물분ìž" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Nonaqueous 용매" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "리간드" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "탄수화물" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "ìœ„ì— ì—†ìŒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "ì†ì„±" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "형ì‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK 공간채움" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "ê³µ 막대기" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "막대기" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "뼈대" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "카툰" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "트레ì´ìŠ¤" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "ì›ìž" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "ë”" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% ë°˜ë°ë¥´ë°œìŠ¤" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "ê²°í•©" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "켬" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "수소 ê²°í•©" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "계산" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "스트럭ì³" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "카본 로켓" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "리본" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "로켓" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "진ë™" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "벡터" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} 픽셀" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "ìŠ¤ì¼€ì¼ {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "ìž…ì²´" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "빨강+시안 안경" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "빨강+파랑 안경" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "빨강+녹색 안경" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Cross-eyed 보기" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Wall-eyed 보기" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "표지" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "ì›ì†Œê¸°í˜¸ë¡œ" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "ì›ìžì´ë¦„으로" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "ì›ìž 번호로" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "ì›ìžì— 번호지정" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "가운ë°" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "ìš°ìƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "우하" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "좌ìƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "좌하" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "색ìƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "ì›ì†Œ (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "다른 위치" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "분ìž" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Formal 전하" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "부분 전하" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "ì˜¨ë„ (ìƒëŒ€ì )" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "ì˜¨ë„ (절대값)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "아미노산" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "ì²´ì¸" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "그룹" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "모노머" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "ìƒì†" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "검정" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "í°ìƒ‰" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "시안" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "빨강" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "오렌지" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "노랑" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "녹색" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "파랑" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "ì¸ë””ê³ " - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "ë³´ë¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "연어살색" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "올리브" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "진한빨강" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "회색" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "ì—°ì²­" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "금색" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "ì—°ë³´ë¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "불투명으로" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "투명으로" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "ë°°ê²½" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "표면" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "축" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "경계ìƒìž" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "단위 cell" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "확대" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "확대" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "축소" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "회전" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "X축 회전" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Y축 회전" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Z축 회전" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "FPS 설정" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "ë™ì˜ìƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "ë™ì˜ìƒ 모드" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "한번만" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "왔다갔다" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "반복" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "재ìƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "정지" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "ë‹¤ìŒ ìž¥ë©´" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "ì´ì „ 장면" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "ë˜ê°ê¸°" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "반대로" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "재시작" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "측정" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "시작하고 ë낼때 ë”블 í´ë¦­ì„ 누름" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "í´ë¦­í•˜ë©´ 거리 측정" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "í´ë¦­í•˜ë©´ ê°ë„ 측정" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "í´ë¦­í•˜ë©´ 꼬ì¸ê° (ì´ë©´ê°) 측정" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "측정 지우기" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "측정 리스트" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "길ì´ë‹¨ìœ„ 나노미터" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "ê¸¸ì´ ë‹¨ìœ„ 옹스트롬" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "ê¸¸ì´ ë‹¨ìœ„ 피코미터" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "ì„ íƒ ì„¤ì •" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "가운ë°" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "ì‹ë³„ìž" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "표지" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "ì›ìž ì„ íƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "ì²´ì¸ ì„ íƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "ì›ì†Œ ì„ íƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "그룹 ì„ íƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "ë¶„ìž ì„ íƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "사ì´íŠ¸ ì„ íƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "보기" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol 스í¬ë¦½íŠ¸ 콘솔" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "íŒŒì¼ ë‚´ìš©" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "íŒŒì¼ í—¤ë”" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Isosurface JVXL ë°ì´í„°" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "ë¶„ìž ì˜¤ë¹„íƒˆ JVXL ë°ì´í„°" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "모ë¸" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "ë°°í–¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "공간 그룹" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "현재 ìƒíƒœ" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "파ì¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "다시 ì½ê¸°" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "PDBì—ì„œ 열기" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "ì„ íƒí•œ íŒŒì¼ ì—´ê¸°" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "열기" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "ì „ì²´ 단위 ì„¸í¬ ë¶ˆëŸ¬ì˜¤ê¸°" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "{0}ì˜ ë³µì‚¬ë³¸ì„ ì €ìž¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "ìƒíƒœë¥¼ 스í¬ë¦½íŠ¸ë¡œ 저장" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "기ë¡ì„ 스í¬ë¦½íŠ¸ë¡œ 저장" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "{0} ì´ë¯¸ì§€ 내보내기" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "{0} 3D ëª¨ë¸ ë‚´ë³´ë‚´ê¸°" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "ì—°ì‚°" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "최ì í™” 구조" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "MOL í…Œì´íƒ€ 추출" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "ì  í¬ë©´" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "ë°˜ë°ë¥´ë°œìŠ¤ 표면" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "ë¶„ìž í‘œë©´" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "용매 표면 ({0}-옹스트롬 프로브)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Solvent-Accessiable 표면 (VDW + {0} 옹스트롬)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "다시부르기 {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "{0} 다시ì½ê¸° + {1} 보기" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "숨기기" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "ì " - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "픽셀 너비" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "옹스트롬 너비" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "ì„ íƒ í‘œì‹œ" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "수소 보기" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "측정 보기" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "ì›ê·¼ 깊ì´" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol색" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "ì •ë³´..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "스í¬ë¦½íŠ¸ 컴파ì¼ëŸ¬ 오류: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "x y z 축 í•„ìš”" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "ì¸ìž 개수 오류" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "밀러 지수는 모든 ê°’ì´ 0ì¼ ìˆ˜ ì—†ìŒ" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "ìž˜ëª»ëœ [R,G,B] 색ìƒ" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "부울린값 í•„ìš”" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "부울린 í˜¹ì€ ìˆ«ìž í•„ìš”" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "부울린, ìˆ«ìž í˜¹ì€ {0} í•„ìš”" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "ìƒ‰ìƒ í•„ìš”" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "ìƒ‰ìƒ í˜¹ì€ íŒ”ë ˆíŠ¸ ì´ë¦„ (Jmol, Rasmol)ì´ í•„ìš”" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "ëª…ë ¹ì´ í•„ìš”í•¨" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "그림 ê°ì²´ê°€ ì •ì˜ ì•ˆë¨" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "예ìƒì¹˜ì•Šì€ 스í¬ë¦½íŠ¸ 명령" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "유효한 (ì›ìž 표현ì‹) í•„ìš”" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "(ì›ìž 표현ì‹) í˜¹ì€ ì •ìˆ˜ í•„ìš”" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "íŒŒì¼ ì´ë¦„ í•„ìš”" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "íŒŒì¼ ì—†ìŒ" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "비호환 ì¸ìž" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "부족한 ì¸ìž" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "정수가 í•„ìš”" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "정수가 ë²”ìœ„ì— ë²—ì–´ë‚¨ ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "ìž˜ëª»ëœ ì¸ìž" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "ìž˜ëª»ëœ ì¸ìž 순서" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "키워드 í•„ìš”" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "MO 계수 ì •ë³´ ì—†ìŒ" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "1ì—ì„œ {0} 사ì´ì˜ MO ì§€ì •ê°’ì´ í•„ìš”í•¨" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "현재 í”„ë ˆìž„ì— ëŒ€í•œ MO basis/계수 ì •ë³´ê°€ ì—†ìŒ" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "MO ì ìœ ê°’ì´ ì—†ìŒ" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "단 í•˜ë‚˜ì˜ ë¶„ìžê¶¤ë„ê°€ 있습니다" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0}(ì€)는 단 í•˜ë‚˜ì˜ ëª¨ë¸ë§Œ 표시ë¨" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "아무 ì •ë³´ê°€ ì—†ìŒ" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"부분 전하 ì •ë³´ê°€ 없습니다; Jmolì€ MEP 정보를 보여주기 위해 ì´ ì •ë³´ê°€í•„ìš”í•©ë‹ˆ" -"다." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "단위 cell ì—†ìŒ" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "ìˆ«ìž í•„ìš”" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "유효한 숫ìžëŠ” ({0} í˜¹ì€ {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "십진수가 ë²”ìœ„ì— ë²—ì–´ë‚¨ ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "'$' ë’¤ì— ê°ì²´ ì´ë¦„ì´ í•„ìš”" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "í‰ë©´ì´ 필요함 -- ì„¸ê°œì˜ ì  í˜¹ì€ ì›ìž í‘œí˜„ì‹ í˜¹ì€ {0} í˜¹ì€ {1} í˜¹ì€ {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "ì†ì„± ì´ë¦„ í•„ìš”" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "공간 그룹 {0}(ì„)를 ì°¾ì„ ìˆ˜ ì—†ìŒ" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "따옴표로 ê°ì‹¼ 문ìžì—´ í•„ìš”" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "ì¸ìš©ëœ 문ìžì—´ í˜¹ì€ ì§€ì •ìž í•„ìš”" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "너무 ë§Žì€ íšŒì „ í¬ì¸íŠ¸ê°€ 지정ë¨" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "너무 ë§Žì€ ìŠ¤í¬ë¦½íŠ¸ 단계" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "모르는 ì›ìž ì†ì„±" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "모르는 ê²°í•© ì†ì„±" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "모르는 명령" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "런타임시 ì¸ì‹ì•ˆë˜ëŠ” 표현ì‹" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "모르는 ê°ì²´" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "ì´í•´í•  수 없는 {0} 파ë¼ë©”í„°" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "SHOW ì¸ìžê°€ ì¸ì‹ì•ˆë¨ -- {0} 사용" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "ë¬´ì—‡ì„ ì“°ë‚˜ìš”? {0} í˜¹ì€ {1} \"파ì¼ì´ë¦„\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "스í¬ë¦½íŠ¸ 오류: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} ì›ìž 지움" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} 수소 ê²°í•©" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "{0}ì— ëŒ€í•œ ìž˜ëª»ëœ ì»¨í…스트" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ ìˆ«ìž ìˆ«ìž ìˆ«ìž } í•„ìš”" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "수ì‹ì˜ ëì´ ìš”êµ¬ë¨" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "ì‹ë³„ìž í˜¹ì€ residue ì§€ì •ì´ í•„ìš”í•¨" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "ìž˜ëª»ëœ ì›ìž 지정" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "ìž˜ëª»ëœ ì²´ì¸ ì§€ì •" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "ìž˜ëª»ëœ ìˆ˜ì‹ í† í°: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "ìž˜ëª»ëœ ëª¨ë¸ ì§€ì •" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "{0}ì— ENDê°€ 없습니다" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "ìˆ«ìž í˜¹ì€ ë³€ìˆ˜ ì´ë¦„ì´ í•„ìš”" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0}ì´(ê°€) 필요함" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0}ì€(는) 불필요함" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "ì´í•´í•  수 없는 ìˆ˜ì‹ í† í°: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "ì´í•´í•  수 없는 토í°: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, fuzzy, java-format -msgid "{0} struts added" -msgstr "{0} ì›ìž 숨김" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} 결함 제거" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} 새 ê²°í•©: {1} 변경ë¨" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol 애플릿 버전 {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"ë” ë§Žì€ ì •ë³´ëŠ” http://www.jmol.org를 참조하세요" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "íŒŒì¼ ì˜¤ë¥˜:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "회전" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "번역" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "확대" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "축ìƒìœ¼ë¡œ ëŒë¦¬ê¸°ìœ„í•´ 하나 í˜¹ì€ ë” ë§Žì€ ì›ìžë¥¼ 고르세요" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "모ë¸ì„ 축ìƒìœ¼ë¡œ 회전하기 위해 ë‘ê°œì˜ ì›ìžë¥¼ 고르세요" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} ì›ìž 숨김" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} ì›ìž ì„ íƒ" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" - -#~ msgid "Hide Symmetry" -#~ msgstr "대칭 숨기기" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Jmol 애플릿 부르기 ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} ì´ˆ" - -#~ msgid "Java version:" -#~ msgstr "ìžë°” 버전:" - -#~ msgid "1 processor" -#~ msgstr "1 프로세서" - -#~ msgid "unknown processor count" -#~ msgstr "프로세서 개수 모름" - -#~ msgid "Java memory usage:" -#~ msgstr "ìžë°” 메모리 ìƒí™©:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB 여유" - -#~ msgid "unknown maximum" -#~ msgstr "최대 모름" - -#~ msgid "Open file or URL" -#~ msgstr "íŒŒì¼ ë˜ëŠ” URL 열기" diff --git a/qmpy/web/static/js/jsmol/idioma/ms.po b/qmpy/web/static/js/jsmol/idioma/ms.po deleted file mode 100644 index e9031c8d..00000000 --- a/qmpy/web/static/js/jsmol/idioma/ms.po +++ /dev/null @@ -1,2641 +0,0 @@ -# Malay translation for jmol -# Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2011. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: abuyop \n" -"Language-Team: Malay \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Unsur?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Konsol Skrip Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Fail" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Tutup" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Bantuan" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Gelintar..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Perintah" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "&Fungsi Matematik" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Tetapkan &Parameter" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Lagi" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Penyunting" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Keadaan" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Jalankan" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Kosongkan Output" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Kosongkan Input" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Sejarah" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Muat" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"tekan CTRL-ENTER untuk baris baru atau tampal data model dan tekan Muat" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Mesej akan muncul disini. Masukkan perintah didalam kotak dibawah. Klik pada " -"konsol item menu Bantuan untuk bantuan atas-talian, yang mana akan muncul " -"didalam tetingkap pelayar baru." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Penyunting Skrip Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konsol" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Buka" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Hadapan" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Skrip" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Semak" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Atas[sebagaimana \"pergi ke atas\"" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Langkah" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Jeda" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Sambung" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Henti" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Kosongkan" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Tutup" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Fail atau URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Jenis Imej" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Kualiti JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Pemampatan PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Kualiti PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Ya" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Tidak" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Anda ingin menulis-ganti fail {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Amaran" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Semua Fail" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Batal" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Henti paksa dialog pemilih fail" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Perincian" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Direktori" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Buka direktori pilihan" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Atribut" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Diubahsuai" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Fail Generik" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Nama" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Nama Fail:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Saiz" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Jenis Fail:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Jenis" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Bantuan" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Bantuan Pemilih Fail" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Rumah" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Senarai" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Lihat Dalam:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Ralat mencipta folder baru" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Folder Baru" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Cipta Folder Baru" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Buka fail pilihan" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Simpan" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Simpan fail pilihan" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Simpan Dalam:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Kemaskini" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Kemaskini penyenaraian direktori" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Naik" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Naik Satu Aras" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Pratonton" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Tambah model" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "Karton PDB" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"PERHATIAN: Kedudukan tulang belakang hidrogen amida adalah hadir dan akan " -"diabaikan. Kedudukan mereka akan dianggarkan, sebagaimana didalam analisis " -"DSSP piawai.\n" -"Guna {0} untuk tidak gunakan anggaran ini.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"PERHATIAN: Kedudukan tulang belakang hidrogen amida adalah hadir dan akan " -"digunakan. Keputusan akan berbeza sedikit daripada analisis DSSP piawai.\n" -"Guna {0} untuk abaikan kedudukan hidrogen ini.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arab" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturia" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "Azerbaijan" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosnia" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Catalan" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Czech" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Denmark" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Jerman" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Yunani" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Inggeris Australia" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Inggeris Britain" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Inggeris Amerika" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Sepanyol" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estonia" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "Basque" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finland" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Faroese" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Perancis" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Frisian" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "Galician" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Croatia" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Hungari" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armenia" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesia" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Itali" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Jepun" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Jawa" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Korea" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Melayu" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norwegian Bokmal" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Belanda" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitan" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Poland" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugis" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Portugis Brazil" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Rusia" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Slovenia" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbia" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Sweden" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turki" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uighur" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukraine" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "Uzbek" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Cina Ringkas" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Cina Tradisional" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Tidak dapat kelas untuk medan kuasa {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Tiada atom dipilih -- tiada apa dilakukan!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atom akan diminimumkan." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "tidak dapat pasang medan kuasa {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "baru" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "buat asal (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "buat semula (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "tengah" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "tambah hidrogen" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimakan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "baiki hidrogen dan minimumkan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "kosongkan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "simpan fail" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "simpan keadaan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "Songsangkan gelang stereokimia" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "padam atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "seret ke ikatan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "seret atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "seret atom (dan minimakan)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "seret dan minimumkan molekul (labuhkan)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "naikkan cas" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "kurangkan cas" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "padam ikatan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "tunggal" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "ganda dua" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "ganda tiga" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "tingkatkan tertib" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "kurangkan tertib" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "putar ikatan (SHIFT-SERET)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "keluar dari mod kit model" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Kumpulan Ruang" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Tiada" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Semua" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "Pemproses {0}" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB keseluruhan" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB maksimum" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Konsol Skrip Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Panduan Tetikus" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Terjemahan" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Sistem" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Tiada atom dimuatkan" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Konfigurasi" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Unsur" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Model/Bingkai" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Bahasa" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Mengikut Nama Residu" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Berdasarkan HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Petala Molekul ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Simetri" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Maklumat model" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Pilih ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Semua {0} model" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Konfigurasi ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Koleksi dari {0} model" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atom: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "ikatan: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "kumpulsn: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "rantaian: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polimer: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Paparan {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Menu Utama" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolekul" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolekul {0} ({1} atom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "muatkan biomolekul {0} ({1} atom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Tiada" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Papar Dipilih Sahaja" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Terbalik Pemilihan" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Papar" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Hadapan" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Kiri" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Kanan" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Atas" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Bawah" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Undur" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Paksi" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Paksi" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Paksi" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Paksi" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Paksi" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Paksi" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Protein" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Tulang Belakang" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Rantai Sisi" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Residu Kutub" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Residu Bukan Kutub" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Residu Asas (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Residu Berasid (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Residu Tidak Dicas" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nukleik" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Asas" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "Pasangan AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "Pasangan GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "Pasangan AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Struktur Sekunder" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Semua PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Semua Pelarut" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Semua Air" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Pelarut Bukan-Air" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "HETATM Bukan-Air" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligan" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Karbohidrat" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Tiada seperti diatas" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Gaya" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Skema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "Isian Ruang CPK" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Bola dan Kayu" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Ranting" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Bingkai Wayar" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Kartun" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Surih" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Dimatikan" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Ikatan" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Dihidupkan" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Kira Hidrogen" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Kira" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Tetapkan Rantai Sisi Ikatan-H" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Tetapkan Tulang Belakang Ikatan-H" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Ikatan Disulfida" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Tetapkan Rantai Sisi Ikatan-SS" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Tetapkan Tulang Belakang Ikatan-SS" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Struktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Roket Karton" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Reben" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Roket" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Bebenang" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Getaran" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektor" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Spektra" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} piksel" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Skala {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereografik" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Kaca Merah+Sian" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Kaca Merah+Biru" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Kaca Merah+Hijau" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Pemaparan mata-silang" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Pemaparan mata-dinding" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Label" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Dengan Simbol Unsur" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Dengan Nama Atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Dengan Nombor Atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Kedudukan Label Atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Ditengah" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Kanan Atas" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Kanan Bawah" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Kiri Atas" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Kiri Bawah" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Warna" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Berdasarkan Skema" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Unsur (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Lokasi Alternatif" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molekul" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Cas Formal" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Cas Separa" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Suhu (Relatif)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Suhu (Tetap)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Acid Amino" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Rantai" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Kumpulan" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Berbentuk" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Warisi" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Hitam" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Putih" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Sian" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Merah" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Jingga" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Kuning" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Hijau" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Biru" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Ungu" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Salmon" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Hijau Zaitun" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Merah Manggis" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Kelabu" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Biru Loh" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Emas" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orkid" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Jadikan Legap" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Jadikan Lutsinar" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Latar belakang" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Permukaan" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Paksi" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Kotak Ikatan" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Sel unit" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Zum" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Zum Masuk" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Zum Keluar" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Putar" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Tetapkan Kadar X" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Tetapkan Kadar Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Tetapkan Kadar Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Tetapkan FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animasi" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Mod Anijmasi" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Main Sekali" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Gelung" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Main" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Henti" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Bingkai Berikut" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Bingkai Terdahulu" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Ulang" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Undur" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Mula Semula" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Pengukuran" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Dwi-Klik untuk mula dan akhirkan semua pengukuran" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Klik untuk pengukuran jarak" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Klik untuk pengukuran sudut" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Klik untuk pengukuran torsion (dihedral)" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Klik dua atom untuk paparkan jujukan didalam konsol" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Padam pengukuran" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Senarai pengukuran" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Unit jarak nanometer" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Unit jarak Angstroms" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Unit jarak pikometer" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Tetapkan pengambilan" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Tengah" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identiti" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Label" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Pilih atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Pilih rantai" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Pilih unsur" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "keluar dari mod kit model" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Pilih kumpulan" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Pilih molekul" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Pilih laman" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Papar operasi simetri" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Papar" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Konsol Skrip Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Kandungan Fail" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Pengepala Fail" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Data Isosurface JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Data JVXL orbital molekul" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Model" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientasi" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Kumpulan ruang" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Keadaan semasa" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Fail" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Muat semula" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Buka dari PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Buka fail pilihan" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Buka" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Muatkan sel unit penuh" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Buka skrip" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Simpan Salinan {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Simpan skrip dengan keadaan" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Simpan skrip dengan sejarah" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Eksport {0} imej" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Simpan sebagai fail JMOL (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Simpan isosurface JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Eksport {0} model 3D" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Pengiraan" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimumkan struktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Kit model" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Ekstrak data MOL" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Permukaan Titik" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "Permukaan van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Permukaan Molekul" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Permukaan Pelarut ({0}-Angstrom probe)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Permukaan Pelarut-Boleh-Capai (VDW + {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Muat semula {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Muat semula {0} + Papar {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Muat semula + Polyhedra" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Sembunyi" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Berbintik" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Lebar Piksel" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Lebar Angstrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Pemilihan Halo" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Papar Hidrogen" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Papar Pengukuran" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Kedalaman Perspektif" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Warna RasMol" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Perihal..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "Ralat pengompil skrip: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "paksi x y z dijangka" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} tidak dibenarkan dengan model latar belakang dipaparkan" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "Kiraan argumen teruk" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Indeks Miller tidak boleh semua kosong." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "warna [R,G,B] teruk" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "boolean dijangka" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "boolean atau nombor dijangka" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "boolean, nombor, atau {0} dijangka" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "tidak dapat tetapkan nilai" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "warna dijangka" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "nama palet atau warna (Jmol, Rasmol) diperlukan" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "perintah dijangka" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} atai $name atau (ungkapan atom) diperlukan" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "objek lukis tidak ditakrif" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "Pengakhiran perintah skrip tidak dijangka" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "(ungkapan atom) sah dijangka" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "(ungkapan atom) atau integer dijangka" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "nama fail dijangka" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "fail tidak ditemui" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "argumen tidak serasi" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "argumen tidak mencukupi" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "integer dijangka" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "integer diluar julat ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "argumen tidak sah" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "Tertib parameter tidak sah" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "kata kunci dijangka" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "tiada data pemalar MO tersedia" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "Indeks MO dari 1 ke {0} diperlukan" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "tiada data pemalar MO tersedia untuk bingkai ini" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "tiada data kependudukan MO tersedia" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Hanya satu petala molekul tersedia dalam fail ini" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} perlukan hanya satu model dipaparkan" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} perlukan hanya satu model dimuatkan" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Tiada data tersedia" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Tiada cas separa dibaca dari fail; Jmol perlukan ini untuk terapkan data MEP." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Tiada sel unit" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "nombor dijangka" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "nombor mesti ({0} atau {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "bilangan desimal di luar julat ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "nama objek dijangka selepas '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"satah dijangka -- sama ada tiga titik atau ungkapan atom atau {0} atau {1} " -"atau {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "nama ciri-ciri dijangka" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "kumpulan ruang {0} tidak ditemui." - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "rentetan terpetik dijangka" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "pengecam atau rentetan terpetik dijangka" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "terlalu banyak titik putaran ditentukan" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "terlalu banyak aras skrip" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "ciri-ciri atom tidak dikenalpasti" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "ciri-ciri ikatan tidak dikenalpasti" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "perintah tidak dikenalpasti" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "ungkapan masa-jalan tidak dikenalpasti" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "objek tidak dikenalpasti" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "parameter {0} tidak dikenali" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "parameter {0} tidak dikenali didalam skrip keadaan Jmol (tetapkan jua)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "Parameter SHOW tidak dikenalpasti -- guna {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "tulis apa? \"nama fail\" {0} atau {1}" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "RALAT skrip: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atom dipadam" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} ikatan hidrogen" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "fail {0} dicipta" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "konteks tidak sah untuk {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ number number number } dijangka" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "pengakhiran ungkapan tidak dijangka" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "pengecam atau spesifikasi residu dijangka" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "spesifikasi atom tidak sah" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "spesifikasi rantaian tidak sah" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "token ungkapan tidak sah: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "spesifikasi model tidak sah" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "hilang END untuk {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "nombor atau nama pembolehubah dijangka" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "spesifikasi residu (ALA ,AL?, A*) dijangka" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} dijangka" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} tidak dijangka" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "Token ungkapan tidak dikenali: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "Token tidak dikenali: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} struts ditambah" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} sambungan dipadam" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} ikatan baru; {1} diubahsuai" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Perhatian: Lebih dari satu model terlibat dalam kenalan ini!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Klik pada menu..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Aplet Jmol versi {0} {1}.\n" -"\n" -"Merupakan projek OpenScience.\n" -"\n" -"Lihat http://www.jmol.org untuk maklumat lanjut" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Ralat Fail:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "atom atau ikatan diumpukkan/baru (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "timbulkan menu konteks terkini (klik pada frank Jmol)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "padam atom (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "padam ikatan (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "laras kedalaman (belakang satah; perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "alih atom (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "alih keseluruhan objek LUKIS (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "alih titik LUKIS tertentu (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "alih label (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "alih atom dan minimumkan molekul (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "alih dan minimumkan molekul (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "alih atom pilihan (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "seret atom dalam arah Z (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simulasi sentuhan-berbilang menggunakan tetikus)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "terjemah titik navigasi (perlukan {0} dan {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "ambil atom" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "sambung atom (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "ambil titik ISOSURFACE (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "ambil label untuk togolkannya tersembunyi/paparkan (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"ambil atom untuk sertakannya didalam pengukuran (selepas memulakan " -"pengukuran atau selepas {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "ambil titik atau atom untuk dinavigasikan (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "ambil titik LUKIS (untuk pengukuran) (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "timbulkan menu konteks penuh" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "tetap (bila diklik diluar dari model)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "putar" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "putar ranting disekitar ikatan (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "putar atom pilihan (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "putar Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "putar Z (gerakan melintang tetikus) atau zum (gerakan menegak tetikus)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "alih satu atom (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "pilih dan seret atom (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "nyahpilih kumpulan atom ini (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "pilih TIADA (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "tambah kumpulan atom ini untuk tetapkan atom pilihan (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "togol pemilihan (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"jika semua dipilih, nyahpilih semua, jika tidak tambah kumpulan atom ini " -"untuk tetapkan atom pilihan (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "ambil satu atom untuk mulakan atau tentukan pengukuran" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "laras loh (satah hadapan; perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "alih loh/kedalaman tetingkap (kedua-dia satah; perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "zum (sepanjang bucu kanan tetingkap)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"klik pada dua titik untuk putar disekeliling paksi lawan jam (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"klik pada dua titik untuk putar disekeliling paksi ikut jam (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "henti gerakan (perlukan {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" -"model putar (leret dan lepaskan butang dan hentikan gerakan secara serentak)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "terjemah" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "zum" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" -"ambil lebi dari satu atom dalam tertib untuk putarkan model mengelilingi " -"paksi" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "ambil dua atom dalam tertib untuk putarkan model mengelilingi paksi" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "ambil dua atom dalam tertib untuk paparkan hubungan simetri" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" -"ambil dua atom dalam tertib untuk paparkan hubungan simetri diantara mereka" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Tetapkan fail log ke {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Tidak dapat tetapkan laluan log fail." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} atom tersembunyi" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atom dipilih" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Seret untuk alihkan label" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "papan keratan tidak boleh dicapai -- guna aplet terdaftar" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} hidrogen ditambah" - -#~ msgid "Hide Symmetry" -#~ msgstr "Sembunyi Simetri" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Memuatkan aplet Jmol ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} saat" - -#~ msgid "Java version:" -#~ msgstr "Versi Java:" - -#~ msgid "1 processor" -#~ msgstr "Pemproses 1" - -#~ msgid "unknown processor count" -#~ msgstr "kiraan pemproses tidak diketahui" - -#~ msgid "Java memory usage:" -#~ msgstr "Penggunaan ingatan Java" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB bebas" - -#~ msgid "unknown maximum" -#~ msgstr "maximum tidak diketahui" - -#~ msgid "Open file or URL" -#~ msgstr "Buka fail atau URL" diff --git a/qmpy/web/static/js/jsmol/idioma/nb.po b/qmpy/web/static/js/jsmol/idioma/nb.po deleted file mode 100644 index ca72f58c..00000000 --- a/qmpy/web/static/js/jsmol/idioma/nb.po +++ /dev/null @@ -1,2590 +0,0 @@ -# Norwegian Bokmal translation for jmol -# Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2008. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Anders Oftedal \n" -"Language-Team: Norwegian Bokmal \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Element ?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "jmol skriptkonsoll" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Lukk" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Hjelp" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Søk..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Kommandoer" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Mer" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Redigeringsverktøy" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Status" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Kjør" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Historikk" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Last inn" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"trykk CTRL-ENTER for ny linje eller lim inn modelldata og trykk last inn" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konsoll" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Ã…pne" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Foran" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Skript" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Steg" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pause" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Gjenoppta" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Stans" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Tøm" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Lukk" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Fil eller URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Bildetype:" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG Kvalitet ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG komprimering ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG Kvalitet ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Ja" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Nei" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Vil du overskrive filen ({0})?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Advarsel" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Alle filer" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Avbryt" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Detaljer" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Mappe" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Ã…pne valgt mappe" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Attributter" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Endret" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Navn" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Filnavn:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Størrelse" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Filer av typen:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Type" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Hjelp" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Hjem" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Liste" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Se i:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Klarte ikke Ã¥ opprette ny mappe" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Ny mappe" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Opprett ny mappe" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Ã…pne valgt fil" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Lagre" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Lagre valgt fil" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Lagre i:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Oppdater" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Opp" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Opp et nivÃ¥" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "ForhÃ¥ndsvisning" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arabisk" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Katalansk" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Tsjekkisk" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Dansk" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Tysk" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Gresk" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Engelsk (Storbritannia)" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Engelsk (Amerikansk)" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Spansk" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estisk" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finsk" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Færøyisk" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Fransk" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Kroatisk" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Ungarsk" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesisk" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italiensk" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japansk" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Javansk" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Koreansk" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norsk BokmÃ¥l" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Nederlandsk" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitansk" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polsk" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugisisk" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Brasiliansk Portugisisk" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Russisk" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Slovensk" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Svensk" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamilsk" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Tyrkisk" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukrainsk" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Forenklet kinesisk" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Tradisjonell kinesisk" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Ingen atomer er valgt -- ingen ting Ã¥ utføre!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomer vil bli minimert" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "ny" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "Angre" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "Gjør om" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "Legg til hydrogener" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimer" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "fiks hydrogener og minimer" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "tøm" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "lagre fil" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "slett atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "dra atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "dra atom (og minimer)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "dobbel" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "trippel" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Ingen" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Alle" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} prosessorer" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB totalt" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB maks" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "jmol skriptkonsoll" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Oversettelser" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "System" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Inge atomer er lastet inn" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Oppsett" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Element" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "SprÃ¥k" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Av HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Symmetri" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Modell informasjon" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Velg ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Alle {0} modeller" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Samling av {0} modeller" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atomer: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "grupper: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "modell {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Vis {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Hovedmeny" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolekyler" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolekyl {0} ({1} atomer)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "last inn biomolekyl {0} ({1} atomer)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Ingen" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Vis kun merkede" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Omgjør valg" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Vis" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Foran" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Venstre" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Høyre" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Nederst" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Tilbake" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Protein" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Ryggmarg" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Baser" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT par" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC par" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "Au par" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Stil" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Kuler og pinner" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Pinner" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Tegneserie" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Spor" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Av" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "PÃ¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Beregn" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Strukturer" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibrasjon" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektorer" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} piksler" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereografisk" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Etiketter" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Med atomnavn" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Med atomnummer" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Midtstilt" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Øverst til høyre" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Nederst til høyre" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Øverst til venstre" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Nederst til venstre" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Farge" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molekyl" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Kjede" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Gruppe" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Svart" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Hvit" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "CyanblÃ¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Rød" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Oransje" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Gul" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Grønn" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "BlÃ¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Fiolett" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Lakserød" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Olivengrønn" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "GrÃ¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Gull" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Gjør gjennomskinnelig" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Bakgrunn" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Overflater" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Akser" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Forstørr" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Zoom Inn" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Zoom Ut" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Snurr" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animasjon" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Animasjonsmodus" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Spill av" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Stopp" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Spol tilbake" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Bakover" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Start pÃ¥ nytt" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identitet" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Etikett" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Velg atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Velg kjede" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Velg element" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Velg gruppe" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Velg molekyl" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Vis" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "jmol skriptkonsoll" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Filinnhold" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Modell" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Ã…pne valgt fil" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Ã…pne" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Skjul" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Prikket" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Pikselbredde" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Vis hydrogener" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} slettede atomer" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} forventet" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} uventet" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, fuzzy, java-format -msgid "{0} struts added" -msgstr "{0} skjulte atomer" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Fil feil:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} skjulte atomer" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} valgte atomer" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" - -#~ msgid " {0} seconds" -#~ msgstr " {0} sekunder" - -#~ msgid "Java version:" -#~ msgstr "Java versjon:" - -#~ msgid "1 processor" -#~ msgstr "1 prosessor" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB ledig" diff --git a/qmpy/web/static/js/jsmol/idioma/nl.po b/qmpy/web/static/js/jsmol/idioma/nl.po deleted file mode 100644 index db17069b..00000000 --- a/qmpy/web/static/js/jsmol/idioma/nl.po +++ /dev/null @@ -1,2641 +0,0 @@ -# translation of nl.po to Nederlands -# This file is distributed under the same license as the PACKAGE package. -# Copyright (C) YEAR THE PACKAGE'S COPYRIGHT HOLDER. -# Egon Willighagen , 2005. -# -msgid "" -msgstr "" -"Project-Id-Version: nl\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Egon Willighagen \n" -"Language-Team: Nederlands \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Country: Nederlands\n" -"X-Poedit-Language: Dutch\n" -"X-Poedit-Basepath: ../../../..\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Element?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol Script Console" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Bestand" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Sluiten" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Hulp" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Zoeken..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Opdracthen" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Wiskundige &Functies" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Verander &Parameters" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Meer" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Editor" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Toestand" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Uitvoeren" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Wis uitvoer" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Wis invoer" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Geschiedenis" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Laden" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"Druk CTRL-ENTER for een nieuwe regel of het plakken van data en daarna Load" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Berichten verschijnen hier. Voer commando's in via het vak hieronder. Klik " -"op de console Help menu voor meer informatie, die in een nieuwe browser-" -"scherm zal verschijnen." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol Script Editor" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Console..." - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Openen" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Voorkant" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Script" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Controleer" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Omhoog" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Stap" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pauzeren" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Hervatten" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Stoppen" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Wissen" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Sluiten" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Bestand of URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Afbeeldingstype" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG-kwaliteit ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG-compressie ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG-kwaliteit ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Ja" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Nee" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Wilt u het bestand {0} overschrijven?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Waarschuwing" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Alle bestanden" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Annuleren" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Sluit Bestandskeuze" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Details" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Werkfolder" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Geselecteerde folder openen" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Eigenschappen" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Veranderd" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Onbekend formaat" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Naam" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Bestandsnaam:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Grootte" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Bestanden van het type:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Type" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Help" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Help Bestandskiezer" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Persoonlijke map" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Lijst" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Kijken in:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Fout tijdens maken van nieuwe folder" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Nieuwe folder" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Nieuw folder maken" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Geselecteerd bestand openen" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Opslaan" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Geselecteerd bestand opslaan" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Opslaan in:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Verversen" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Folderinhoud verversen" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Boven" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Eén niveau hoger" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Voorbeeld" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Modellen toevoegen" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"OPMERKING: backbone amide-waterstof posities zijn aanwezig maar worden " -"genegeerd. De posities worden bij benadering bepaald, as gebruikelijk in een " -"DSSP-analyse. Gebruik {0} om deze benadering niet te gebruiken.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"OPMERKING: aanwezige backbone amide-waterstof posities worden gebruikt. De " -"resultaten kunnen significant afwijken van een standaard DSSP-analyse. " -"Gebruik {0} om de aanwezige posities niet te gebruiken.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arabisch" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturisch" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosnisch" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Catalaans" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Tsjechisch" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Deens" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Duits" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Grieks" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Australisch Engels" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Brits" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Amerikaans" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Spaans" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estlands" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Fins" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Faroese" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Frans" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Kroatisch" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Hongaars" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armeens" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesisch" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italiaans" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japans" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Javaans" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Koreaans" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Maleisisch" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Noors" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Nederlands" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitaans" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Pools" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugees" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Braziliaans" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Russisch" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Sloveens" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Servisch" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Zweeds" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turks" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Oekraïns" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Vereenvoudigd Chinees" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Traditioneel Chinees" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Kon niet de Class vinden voor het krachtveld {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Geen atomen geselecteerd -- niets te doen!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomen worden geminimaliseerd." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "Kon het krachtveld {0} niet starten" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "nieuw" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "Ongedaan maken (Ctrl+Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "Opnieuw uitvoeren (Ctrl+Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "Midden" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "voeg waterstof toe" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimaliseren" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "repareer waterstof en minimaliseer" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "helder" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "bestand opslaan" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "opslagstatus" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "verander de ring stereochemie" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "verwijder atoom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "versleep naar verbinding" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "versleep atoom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "versleep atoom (en minimalizeer)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "versleep en minimalizeer molecuul (koppelen)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "verhoog lading" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "verlaag lading" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "verwijder koppeling" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "enkel" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "dubbel" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "driedubbel" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "verhoog order" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "verlaag order" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "roteer verbinding (SHIFT+slepen)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "verlaat modelkit modus" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Ruimte groep" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Uit" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Alles" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} processors" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB totaal" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB maximaal" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol Script Console" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Handleiding Muiscontrole" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Translaties" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Systeem" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Geen atomen geladen" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Orientaties" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Element" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Model/Frame" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Taal" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Op residuenaam" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Op HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Moleculaire orbitalen ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Symmetrie" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Model details" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Selecteren ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Alle {0} modellen" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Configuraties ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Collectie van {0} modellen" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atomen: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "bindingen: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "groepen: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "ketens {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polymeren: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Orientatie {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Hoofdmenu" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomoleculen" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolecuul {0} ({1} atomen)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "Laad biomolecuul {0} ({1} atomen)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Uit" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Laat alleen Selectie zien" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Inverteer Selectie" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Orientatie" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Voorkant" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Linker kant" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Rechts" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Top" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Onderkant" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Achterkant" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Assen" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Assen" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Assen" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Assen" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Assen" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Assen" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Proteïne" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Backbone" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Zijketens" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Polaire Residuen" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Niet-polaire Residuen" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Basische Residuen (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Zure Residuen (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Ongeladen Residuen" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nucleïnezuur" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Basen" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT paren" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC paren" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU paren" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Secondaire Structuur" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero-groepen" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Alle PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Al het oplosmiddel" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Al het water" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Oplosmiddel anders dan water" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "HETATM anders dan water" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Koolwaterstof" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Geen van deze" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Stijl" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Schema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK Spacefill" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Bal en staaf" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Stokjes" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Draadmodel" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Tekening" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Spoor" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomen" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Uit" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% vanderWaals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Bindingen" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Aan" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Waterstofbruggen" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Berekenen" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Kies H-bruggen van zijketens" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Kies H-bruggen van backbone" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Disulfide-bindingen" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Kies SS-bindingen van zijketens" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Kies SS-bindingen van backbone" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Structuren" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Tekening" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Banden" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Tekening" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Strands" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibratie" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vectoren" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pixels" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Schaal {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereografisch" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Rood+Cyaan-bril" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Rood+Blauw-bril" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Rood+Groen-bril" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Kruisende Blik-modus" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Muur-kijk-modus" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Labels" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Met Symbool" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Met Atoomnaam" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Met Atoomnummber" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Positie van Label op Atoom" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Gecentreerd" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Rechtsboven" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Rechtsonder" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Linksboven" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Linksonder" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Kleuren" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Volgens model" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Element (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Alternatieve locatie" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molecuul" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Formele lading" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Partiele lading" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Temperatuur" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Temperatuur (vast)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminozuur" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Keten" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Groep" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomeer" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Gevormd" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Overnemen" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Zwart" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Wit" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Cyaan" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Rood" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Oranje" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Geel" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Groen" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Blauw" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violet" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Zalm" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Olijfgroen" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Maroon" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Grijs" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Blauw" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Goud" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orchidee" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Solide maken" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Transparant maken" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Achtergrond" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Oppervlakken" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Assen" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Boundbox" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Eenheidscel" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Inzoomen" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Inzoomen" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Uitzoomen" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Spin" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Stel X-snelheid in" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Stel Y-snelheid in" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Stel Z-snelheid in" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Stel FPS in" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animatie-modus" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Animatie-modus" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Eenmaal afspelen" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindroom" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Gelusd" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Afspelen" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Stoppen" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Volgende Frame" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Vorige Frame" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Terugspoelen" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Achteruitspelen" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Herstarten" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Metingen" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Dubbel-klik begint en eindigt een meting" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Klik voor een afstandsmeting" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Klik voor een hoekmeting" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Klik voor een torsiehoekmeting" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Kies twee atomen om een sequentie de laten zien op de commandoregel" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Wis metingen" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Lijst van metingen" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Nanometer afstandsmaat" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Angstrom afstandsmaat" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Picometer afstandsmaat" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Kies klikvolgorde" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Gecentreerd" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identiteit" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Label" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Selecteer atoom" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Selecteer keten" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Selecteer element" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "verlaat modelkit modus" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Selecteer groep" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Selecteer molecuul" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Selecteer site" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Toon symetrische operatie" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Laat zien" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol Script Console" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Inhoud bestand" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Kopregels bestand" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Isosurface JVXL data" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Moleculaire orbitaal JVXL data" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Model" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientatie" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Ruimtegroep" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Huidige toestand" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Bestand" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Herlaad" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Open vanuit PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Geselecteerd bestand openen" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Openen" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Hele eenheidscel laden" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Open script" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Sla een kopie op van {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Bewaar script met status" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Bewaar script met geschiedenis" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Exporteer {0} afbeelding" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Opslaan als JMOL-bestand (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Sla JVXL iso-oppervlak" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Exporteer {0} 3D model" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Berekening" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimaliseer structuur" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Model kit" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Extraheer MOL data" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Puntenoppervlak" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "vanderWaalsoppervlak" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Moleculaire oppervlak" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Oplosmiddeloppervlak ({0}-Angstrom probe)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Oplosmiddeltoegankelijk oppervlak (VDW + {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "{0} herladen" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Herlaad {0} + Weergeven {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Herladen + Polyhedra" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Onzichtbaar" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Puntjes" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Puntgrootte" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Angstrombreedte" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Selectiewolk" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Laat waterstoffen zien" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Laat metingen zien" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Perspectiefdiepte" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Rasmol-kleuren" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Info..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "scriptcompiler FOUT: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "x-y-z-as verwacht" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} is niet toegestaan als een achtergrondmodel is weergegeven" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "injuist aantal parameters" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "De Miller-indices kunnen niet allemaal nul zijn." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "ongeldige [R,G,B] kleur" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "bool verwacht" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "boolean of getal verwacht" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "boolean, getal, of {0} vereist" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "kleur verwacht" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "een kleur of kleurenset (Jmol, Rasmol) is vereist" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "commando verwacht" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} of $naam of (atoomselectie) vereist" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "object niet gedefinieerd" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "overwacht einde van het script" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "geldige atoomexpressie verwacht" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "atoomexpressie of geheel getal verwacht" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "bestandsnaam verwacht" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "bestand niet gevonden" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "Ongeldige combinatie van parameters" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "te weinig parameters" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "geheel getal verwacht" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "geheel getal buiten bereik ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "ongeldig argument" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "ongeldige parametervolgorde" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "commandowoord verwacht" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "geen MO-coefficienten beschikbaar" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "Een MO-index van 1 tot {0} is verwacht" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "geen MO basis set of coefficienten beschikbaar voor dit frame" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "Geen MO-data beschikbaar" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Maar een moleculaire orbitaal is aanwezig in dit bestand" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} vereist dat er maar een model getoond wordt" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} vereist dat slechts een model geladen is" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Geen data beschikbaar" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Geen partiele ladingen zijn gelezen van het bestaand. Jmol heeft deze nodig " -"om MEP data te visualiseren." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Geen eenheidscel" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "getal verwacht" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "getal moet zijn ({0} of {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "getal buiten bereik ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "objectnaam verwacht na '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"Vlak verwacht -- of drie punten of een atoomexpressie of {0} or {1} or {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "naam van eigenschap verwacht" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "ruimtegroep {0} is niet bekend" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "string in haakjes verwacht" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "String-inhaakjes of geheel getal verwacht" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "te veel rotatiepunten gedefinieerd" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "te veel scriptnivo's" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "onbekend atoomeigenschap" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "onbekende bindingseigenschap" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "onbekend commando" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "ongeldige expressie" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "onbekend object" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "onbekende {0} parameter" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "onbekende {0} parameter in Jmol status script (toch gedefinieerd)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "onbekend SHOW parameter -- gebruik {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "wat opslaan? {0} of {1} \"bestandsnaam\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "script FOUT: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atomen verwijderd" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} waterstofbruggen" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "bestand {0} aangemaakt" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "ongeldige context voor {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ getal getal getal } verwacht" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "einde van commando verwacht" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "identificatie of residuespecificatie verwacht" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "ongeldige atoomspecificatie" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "ongeldige ketenspecificatie" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "ongeldige expressie woord: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "ongeldige modelspecificatie" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "missende END voor {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "getal of variabelenaam verwacht" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "residueindicator (ALA, AL?, A*) verwacht" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} verwacht" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} onverwacht" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "onbekend expressie woord: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "onbekend woord: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} stutten toegevoegd" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} bindingen verwijderd" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} nieuwe bindingen; {1} veranderd" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" -"Opmerking: Dit contact vind plaats tussen atomen uit meerdere modellen." - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Klik voor menu..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet versie {0} {1}.\n" -" \n" -"Onderdeel van het OpenScience project. \n" -"\n" -"Zie http://www.jmol.org voor meer informatie." - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Bestandsfout:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "toon recent contextmenu (klik op Jmol frank)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "wis atoom (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "verwijder binding (heeft {0} nodig)" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "pas diepte aan (achterplaat; vereist {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "verplaats atoom (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "verplaats compleet tekenobject (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "verplaats specifiek tekenpunt (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "verplaats label (heeft {0} nodig)" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "verplaats atoom en minimaliseer molecuul (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "verplaats en minimaliseer molecuul (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "verplaats geselecteerde atomen (heeft {0} nodig)" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "sleep de atomen in de Z-richting (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "vertaal navigatiepunt (vereist {0} en {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "kies een atoom" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "verbind atomen (heeft {0} nodig)" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"kies een atoom om het aan de meting toe te voegen (nadat een meting of {0} " -"is gestart)" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "kies een atoom om naar te navigeren (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "toon het volledige contextmenu" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "Draai" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "draai zijtak rond een binding (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "draau geselecteerde atomen (heeft {0} nodig)" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "roteer Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"roteer Z (horizontale beweging van de muis) of zoom (verticale beweging van " -"de muis)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "selecteer een atoom (heeft {0} nodig)" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "selecteer en sleep atomen (heeft {0} nodig)" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "deselecteer deze groep van atomen (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "selecteer GEEN (heeft {0} nodig)" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "voeg deze groep atomen toe aan de geselecteerde atoomset (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "schakel selectie (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"als alle geselecteerd zijn, deselecteer alle. Voeg anders deze groep atomen " -"toe aan de geselecteerde atoomset (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "kies een atoom om een meting te begiggen of eindigen" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "zoom (langs de rechterzijde van het scherm)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "klik op twee punten om tegen de klok in rond te draaien (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"klik op twee punten om met de klok mee te rond te draaien (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "stop beweging (vereist {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "spin model (veeg en laat de muisknop tegelijk opkomen)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "vertaal" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "Vergroot" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "kies nog een atoom om het model rond een as te laten spinnen" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "kies twee atomen om het model rond een as te laten spinnen" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "kies nog een atoom om de symmetrierelatie te laten zien" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "kies twee atomen om de de symmetrierelatie te laten zien" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "logbestand veranderd naar {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} verborgen atomen" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atomen geselecteerd" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Sleep om de label te verplaatsen" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "clipboard is niet toegankelijke -- gebruik de gesigneerde applet" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} waterstofatomen toegevoegd" - -#~ msgid "Hide Symmetry" -#~ msgstr "Verberg Symmetrie" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Laden Jmol applet ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} seconden" - -#~ msgid "Java version:" -#~ msgstr "Java versie:" - -#~ msgid "1 processor" -#~ msgstr "1 processor" - -#~ msgid "unknown processor count" -#~ msgstr "onbekend aantal processoren" - -#~ msgid "Java memory usage:" -#~ msgstr "Java geheugen gebruik:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB beschikbaar" - -#~ msgid "unknown maximum" -#~ msgstr "onbekend maximum" - -#~ msgid "Open file or URL" -#~ msgstr "Open bestand van URL" diff --git a/qmpy/web/static/js/jsmol/idioma/oc.po b/qmpy/web/static/js/jsmol/idioma/oc.po deleted file mode 100644 index c4401c65..00000000 --- a/qmpy/web/static/js/jsmol/idioma/oc.po +++ /dev/null @@ -1,2603 +0,0 @@ -# Occitan (post 1500) translation for jmol -# Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2010. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Cédric VALMARY (Tot en òc) \n" -"Language-Team: Occitan (post 1500) \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Consòla d'Escript Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Tampar" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Ajuda" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "Rec&ercar..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "Co&mandas" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "&Foncions Matematicas" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Preferéncias & Paramètres" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Mai" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Editor" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Estat" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Aviar" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Escafar la sortida" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Escafar la picada" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Istoric" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Cargar" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Editor d'escripts Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Consòla" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Dobrir" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Fàcia" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Escript" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Verificar" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Tornar amont" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Etapa" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pausa" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Contunhar" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Arrestar" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Escafar" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Tampar" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Fichièr o URL :" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Tipe d'imatge" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Qualitat JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Compression PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Qualitat PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Ã’c" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Non" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Volètz espotir lo fichièr {0} ?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Avertiment" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Totes los fichièrs" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Anullar" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Detalhs" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Dorsièr" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Atributs" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Modificat" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Fichièr generic" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Nom" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Nom del fichièr :" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Talha" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Fichièrs del tipe :" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Tipe" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Ajuda" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Ajuda sul selector de fichièrs" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Dorsièr personal" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Lista" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Recercar dins :" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Dorsièr novèl" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Crear un dorsièr novèl" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Dobrís lo fichièr seleccionat" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Salvar" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Salvar dins :" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Metre a jorn" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Naut" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Remontar d'un nivèl" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "D'acòrdi" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Apercebut" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Apondre los modèls" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arabi" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Catalan" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Chèc" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Danés" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Alemand" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Grèc" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Anglés britanic" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Anglés american" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Espanhòl" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estonian" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Francés" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Ongrés" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesian" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italian" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japonés" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Corean" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norvegian (Bokmal)" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Neerlandés" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitan" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polonés" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugués" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Portugués de Brasil" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Rus" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Eslovèn" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Suedés" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turc" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ucraïnian" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Chinés simplificat" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Chinés tradicional" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Impossible d''obténer la classa del camp de fòrça {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Cap d'atòm pas seleccionat -- pas res a far !" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atòms seràn minimizats." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Grop d'espaci" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Pas cap" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Tot" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} processors" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "Total de {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "Maximum de {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Consòla d'Escript Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Manual Mirga" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Traduccions" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Sistèma" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Configuracions" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Element" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Modèl/Frame" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Lenga" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Per nom de residut" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Per HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Simetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Informacions del modèl" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Seleccionar ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Totes los {0} modèls" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Configuracions ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Colleccion de {0} modèls" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "{0} atòms" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "{0} ligams" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "{0} gropes" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "{0} cadenas" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "{0} polimèrs" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "modèl {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Veire {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Menut principal" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomoleculas" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolecula {0} ({1} atòms)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "cargar la biomolecula {0} ({1} atòms)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Pas cap" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Afichar unicament la seleccion" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Inversar la seleccion" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Afichatge" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Fàcia" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Esquèrra" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Drecha" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Bas" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Fons" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -msgid "Axis x" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -msgid "Axis y" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -msgid "Axis z" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -msgid "Axis a" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -msgid "Axis b" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -msgid "Axis c" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Proteïna" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Colomna vertebrala" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Cadenas lateralas" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Residuts polars" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Residuts basics (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Residuts acids (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nucleïc" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "ADN" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "ARN" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Basas" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "Pars AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "Paras GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "Paras AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Etèro" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Totes los \"HETATM\" PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Tot Solvent" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Tot Aiga" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Glucid" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Estil" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Combinason" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Bastons" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Fial de fèrre" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Dessenh animat" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Traça" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atòms" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Desactivat" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Ligams" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Activar" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Calcular" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Consòla d'Escript Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Dobrís lo fichièr seleccionat" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Dobrir" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet version {0} {1}.\n" -"\n" -"Fat partida del projècte OpenScience.\n" -"\n" -"Vejatz http://www.jmol.org per mai d'entresenhas" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Error de Fichièr :" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" - -#~ msgid "Hide Symmetry" -#~ msgstr "Amagar la simetria" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Cargament de l'applet Jmol ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} segondas" - -#~ msgid "Java version:" -#~ msgstr "Version de Java :" - -#~ msgid "1 processor" -#~ msgstr "1 processor" - -#~ msgid "unknown processor count" -#~ msgstr "Nombre de processors desconegut" - -#~ msgid "Java memory usage:" -#~ msgstr "Utilizacion memòria de Java" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB liures" - -#~ msgid "unknown maximum" -#~ msgstr "Maximum desconegut" diff --git a/qmpy/web/static/js/jsmol/idioma/pl.po b/qmpy/web/static/js/jsmol/idioma/pl.po deleted file mode 100644 index 824effda..00000000 --- a/qmpy/web/static/js/jsmol/idioma/pl.po +++ /dev/null @@ -1,2605 +0,0 @@ -# Polish translation for jmol -# Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2008. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Nicolas Vervelle \n" -"Language-Team: Polish \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Konsola skryptów Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Zamknij" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "Pomoc" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "Wy&szukaj..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "Pole&cenia" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "&Funkcje matematyczne" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Ustaw ¶metry" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "WiÄ™cej" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Edytor" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Stan" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Uruchom" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Wyczyść wyniki" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Wyczyść dane wejÅ›ciowe" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Historia" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "ZaÅ‚aduj" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"naciÅ›nij CTRL-ENTER żeby rozpocząć nowÄ… liniÄ™ lub wklej dane modelu i " -"wciÅ›nij przycisk ZaÅ‚aduj" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Tutaj bÄ™dÄ… wyÅ›wietlane informacje. Komendy należy wpisywać w polu poniżej. " -"Kliknij element Pomocy w konsoli aby uzyskać pomoc online (zostanie otwarte " -"okno przeglÄ…darki)" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Edytor skryptów Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konsola" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Otwórz" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Przód" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Skrypt" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pauza" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Wznów" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Wstrzymaj" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Wyczyść" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Zamknij" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Plik lub adres URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Typ obrazu" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Jakość JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Kompresja PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Jakość PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Tak" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Nie" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Czy chcesz nadpisać plik {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Ostrzeżenie" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Wszystkie pliki" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Anuluj" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Zamknij okno wyboru pliku" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Szczegóły" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Folder" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Otwórz wybrany folder" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Atrybuty" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Zmodyfikowany" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Plik ogólny" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Nazwa" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Nazwa pliku" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Rozmiar" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Pliki typu:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Typ" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Pomoc" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Pomoc okna wyboru plików" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Katalog domowy" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Lista" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Zobacz w:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "BÅ‚Ä…d podczas tworzenia nowgo folderu" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Nowy Folder" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Utwórz nowy folder" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Otwórz wybrany plik" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Zapisz" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Zapisz wybrany plik" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Zapisz w:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Aktualizacja" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Uaktualnij listÄ™ katalogów" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "W górÄ™" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "W górÄ™ o jeden poziom" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "PodglÄ…d" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "DoÅ‚Ä…cz modele" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "arabski" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "KataloÅ„ski" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Czeski" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "DuÅ„ski" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Niemiecki" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "grecki" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Brytyjski Angielski" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "AmerykaÅ„ski angielski" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "HiszpaÅ„ski" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "EstoÅ„ski" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Francuski" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "WÄ™gierski" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonezyjski" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "WÅ‚oski" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "japoÅ„ski" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "KoreaÅ„ski" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norweski (Bokmal)" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Holenderski" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polski" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugalski" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Brazylijski Portugalski" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Rosyjski" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "SÅ‚oweÅ„ski" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Szwedzki" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turecki" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "ukraiÅ„ski" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "ChiÅ„ski uproszczony" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "ChiÅ„ski tradycyjny" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Nie zaznaczono żadnego atomu -- brak zadaÅ„ do wykonania!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomów zostanie zminimalizowanych." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "cofnij" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "żaden" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Wszystkie" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} procesorów" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "w caÅ‚oÅ›ci {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB maksimum" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Konsola skryptów Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "ObsÅ‚uga myszy" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "TÅ‚umaczenia" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Brak zaÅ‚adowanych atomów" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Konfiguracje" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Pierwiastek" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "JÄ™zyk" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Symetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Informacje o modelu" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Wybierz ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Wszystkie {0} modeli" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Konfiguracje ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Kolekcja {0} modeli" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atomy: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "wiÄ…zania: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "grupy: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "Å‚aÅ„cuchy: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polimery: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Widok {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Menu główne" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "BiomolekuÅ‚y" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolekuÅ‚a {0} ({1} atomy)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "Å‚aduj biomolekuÅ‚Ä™ {0} ({1} atomy)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "żaden" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "WyÅ›wietlaj tylko zaznaczone" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Odwróć zaznaczenie" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Pokaż" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Przód" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Lewo" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Prawo" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Dół" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "W tyÅ‚" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Osie" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Osie" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Osie" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Osie" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Osie" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Osie" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "BiaÅ‚ka" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Szkielet" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "ÅaÅ„cuchy boczne" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Reszty polarne" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Reszty niepolanrne" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Reszty zasadowe (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Reszty kwasowe (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Reszty pozbawione Å‚adunku" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Kwas nukleinowy" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Zasady" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "Pary AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "Pary GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "Pary AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Struktura drugorzÄ™dowa" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Rozpuszczalnik bezwodny" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "wodorowÄ™glan" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Å»aden z wymienionych" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Styl" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Schemat" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Kula i kreska" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Kreski" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Obraz szkieletowy" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Rysunek" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Åšlad" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomy" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "WyÅ‚Ä…czone" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "WiÄ…zania" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "WÅ‚Ä…czone" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "WiÄ…zania wodorowe" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Oblicz" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "WiÄ…zania dwusiarczkowe" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Struktury" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Wibracja" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Wektory" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pikseli" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Skala {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereograficzne" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Okulary Czerwono-Cyjanowe" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Okulary czerwono-Niebieskie" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Okulary Czerwono-Zielone" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Patrzenie zbieżne" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Etykiety" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Z symbolem atomu" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Z nazwa atomu" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Z numerem atomu" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Ustal pozycje etykiety" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "WyÅ›rodkowanie" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Na górze po prawej" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Na dole po prawej" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Na górze po lewej" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Na dole po lewej" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Kolor" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Inna lokalizacja" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "CzÄ…steczka" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Åadunek" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Åadunek częściowy" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Temperatura (WzglÄ™dna)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Temperatura (BezwzglÄ™dna)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminokwas" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "ÅaÅ„cuch" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Grupa" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Dziedziczyć" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Czarny:" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "BiaÅ‚y" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Cyjan" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Czerwony" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "PomaraÅ„czowy" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Żółty" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Zielony" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Niebieski" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indygo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Fioletowy" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Åososiowy" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Oliwkowy" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Kasztanowy" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Szary" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Niebieski Å‚upkowy" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "ZÅ‚oty" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orchidowy" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Nieprzezroczystosty" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Przezroczysty" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "TÅ‚o" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Powierzchnie" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Osie" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "PowiÄ™kszenie" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "PowiÄ™ksz" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Pomniejsz" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Ilość klatek na sekundÄ™" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animacja" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Tryb animacji" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Odtwórz raz" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "ZapÄ™tlanie" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Odtwórz" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Stop" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Nastepna klatka" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Poprzednia klatka" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "PrzewiÅ„ w tyÅ‚" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Odwróć" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Restartuj" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Pomiary" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Podwójne klikniÄ™ce rozpoczyna i koÅ„czy pomiary" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Kliknij dla pomiaru odlegÅ‚oÅ›ci" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Kliknij dla pomiaru kÄ…ta" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "UsuÅ„ pomiary" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Pokaż pomiary" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Pomiar w nanometrach" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Pomiar w Angstroemach" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Pomiar w pikometrack" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "WyÅ›rodkuj" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identyfikacja" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Etykieta" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Wyberz atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Wybierz Å‚aÅ„cuch" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Wybierz element" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Wybierz grupÄ™" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Wybierz czÄ…steczkÄ™" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Pokaż" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Konsola skryptów Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Zawartość pliku" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Nagłówek pliku" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Model" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientacja" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Bieżący stan" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Otwórz wybrany plik" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Otwórz" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "WydobÄ…dź dane MOL" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "PrzeÅ‚aduj {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Ukryj" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Kropki" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Pokaż Wodory" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Pokaż Pomiary" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "GÅ‚Ä™bokość perspektywy" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Kolory RasMol" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "niewÅ‚aÅ›ciwy kolor [R, G, B]" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "oczekiwano koloru" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "nieoczekiwany koniec skryptu" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "oczekiwano nazwy pliku" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "nie odnaleziono pliku" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "niepoprawne argumenty" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "niewystarczajÄ…ce argumenty" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "bÅ‚Ä™dny argument" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Beak dostepnych danych" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "oczekiwano liczby" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "nierozpoznany obiekt" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "BÅÄ„D skryptu: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atomy usuniÄ™to" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} wiÄ…zania wodorowe" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ number number number } oczekiwano" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, fuzzy, java-format -msgid "{0} struts added" -msgstr "{0} atomy ukryte" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Aplet Jmol wersja {0} {1}.\n" -"\n" -"Projek OpenScience.\n" -"\n" -"WiÄ™cej informacji na http://www.jmol.org" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "BÅ‚Ä…d pliku:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "wybierz atom aby obrócić model wokół osi" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "wybierz dwa atomy aby obrócić model wokół osi" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} atomy ukryte" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atomy wybrane" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Åadowanie apletu Jmol" - -#~ msgid " {0} seconds" -#~ msgstr " {0} sekund" - -#~ msgid "1 processor" -#~ msgstr "1 procesor" - -#~ msgid "unknown processor count" -#~ msgstr "nieznana liczba procesorów" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB wolnych" - -#~ msgid "unknown maximum" -#~ msgstr "maksimum nieznane" diff --git a/qmpy/web/static/js/jsmol/idioma/pt.po b/qmpy/web/static/js/jsmol/idioma/pt.po deleted file mode 100644 index 064d96eb..00000000 --- a/qmpy/web/static/js/jsmol/idioma/pt.po +++ /dev/null @@ -1,2611 +0,0 @@ -# Copyright (C) 2005 -# This file is distributed under the same license as the Jmol package. -# FIRST AUTHOR , YEAR. -# -msgid "" -msgstr "" -"Project-Id-Version: Jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Nicolas Vervelle \n" -"Language-Team: Portugal@Folding \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Country: Portugal\n" -"X-Poedit-Language: Portuguese\n" -"X-Poedit-Basepath: ../../../..\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Consola de Script Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Fechar" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Ajuda" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Localizar" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Comandos" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "&Funções Matemáticas" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Definir &Parâmetros" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Mais" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Editor" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Estado" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Executar" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Limpar Output" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Limpar Output" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Histórico" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Carregar" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"Clique em CTRL-ENTER para uma nova linha ou cole os dados do modelo e clique " -"em Carregar" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"As mensagens aparecem aqui. Introduza os comandos na caixa abaixo. Clique no " -"menú Ajuda para obter ajuda on-line, a qual aparecerá numa nova janela do " -"browser." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Editor de Script Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Consola" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Abrir" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Frente" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Script" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Verificar" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Passo" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pausa" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Resumir" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Parar" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Limpar" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Fechar" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Ficheiro ou URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Tipo de Imagem" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Qualidade JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Compressão PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Qualidade PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Sim" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Não" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Pretende substituir o ficheiro {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Aviso" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Todos os Ficheiros" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Cancelar" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Detalhes" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Directório" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Abrir directório seleccionado" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Atributos" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Modificado" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Ficheiro genérico" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Nome" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Nome do Ficheiro:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Tamanho" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Ficheiros do Tipo:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Tipo" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Ajuda" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Ajuda do FileChooser" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Início" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Listar" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Procurar em:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Erro ao criar nova pasta" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Nova Pasta" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Criar Nova Pasta" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Abrir ficheiro seleccionado" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Guardar" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Guardar ficheiro seleccionado" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Guardar Em:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Actualizar" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Actualizar lista de ficheiros" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Para cima" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Subir Um Nível" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Pré-visualizar" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Anexar modelos" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Ãrabe" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Catalão" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Checo" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Dinamarquês" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Alemão" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Grego" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Inglês de Inglaterra" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Inglês Americano" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Espanhol" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estónio" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Francês" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Húngaro" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonésio" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italiano" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japonês" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Coreano" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norueguês Bokmal" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Holandês" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polaco" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Português" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Português do Brasil" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Russo" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Esloveno" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Sueco" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turco" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ucraniano" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Chinês Simplificado" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Chinês Tradicional" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Nenhum átomo seleccionado -- nada a fazer!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Nenhum" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Todos" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} processadores" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB totais" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB Máximo" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Consola de Script Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Traduções" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Sistema" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Nenhum átomo foi carregado" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Configurações" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Elemento" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Idioma" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Por nome do resíduo" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Por HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Simetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Informação do Modelo" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Seleccionar ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Todos {0} modelos" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Configurações ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Collecção de {0} modelos" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "átomos: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "ligações: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "grupos: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "cadeias: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polímeros: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "modelo {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Ver {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Menu Principal" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomoléculas" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolécula {0} ({1} átomos)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "carregar biomolécula {0} ({1} átomos)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Nenhum" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Mostrar Somente as Escolhas" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Inverter Selecção" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Visualizar" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Frente" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Esquerda" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Direita" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Fundo" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Retroceder" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Proteína" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Esqueleto/Cadeia principal/raiz" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Cadeias laterais" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Resíduos polares" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Resíduos apolares" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Resíduos básicos (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Resíduos acídicos (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Resíduos não carregados" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nucleico" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "ADN" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "ARN" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Bases" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "Pares AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "Pares GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "ParesAU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Estrutura Secundária" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Apenas Solvente" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Apenas Ãgua" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Solvente não aquoso" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligando" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Carbohidrato" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Nenhum dos acima seleccionados" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Estilo" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Esquema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "Espaço de preenchimento (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Bola ou barra" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Barras" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Ligarframe" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Desenho" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Traçar" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Ãtomos" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Off" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Ligações" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "On" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Ligações de Hidrogénio" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Calcular" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Definir Ligações-H das cadeias laterais" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Definir Ligações-H da cadeia principal" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Ligações Disulito" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Definir Ligações-SS das cadeias lateriais" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Definir Ligações-SS da cadeia principal" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Estruturas" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Tiras" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Foguetes" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibração" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vectores" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} píxeis" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Escala {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Estereográfico" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Óculo Vermelho+Turquesa" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Óculo Vermelho+Azul" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Óculo Vermelho+Verde" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Visualização 'Cross-eyed'" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Visualização 'Wall-eyed'" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Etiquetas" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Com o Símbolo do Elemento" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Com o Nome do Ãtomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Com o Número do Ãtomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Colocar etiqueta em átomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Centrado" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Em cima, à Direita" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Em baixo, à Direita" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Em Cima, à Direita" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Em Baixo, à Esquerda" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Cor" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Por Esquema" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Elemento (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Localização Alternativa" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molécula" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Carga Formal" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Carga Parcial" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Temperatura (Relativa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Temperatura (Fixa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminoácido" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Cadeia" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Grupo" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monómero" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Inato" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Preto" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Branco" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Ciano" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Vermelho" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Laranja" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Amarelo" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Verde" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Azul" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violeta" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Salmão" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Azeitona" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Castanho" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "'Slate Blue'" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Dourado" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orquídea" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Tornar Opaco" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Tornar Translúcido" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Fundo" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Superfícies" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Caixa de ligação" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Célula Unitária" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Zoom" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Aumentar Zoom" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Diminuir Zoom" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Spin" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Definir X" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Definir Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Definir Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Definir FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animação" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Modo de Animação" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Reproduzir/tocar uma vez" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "palindroma" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Curva" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Reproduzir" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Para" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Frame seguinte" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Frame anterior" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Rebobinar" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Inverter" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Reiniciar" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Medidas" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Clique para medir o ângulo" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Apagar medições" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Listar medições" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Unidades de distância em picómetros" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identidade" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Seleccionar átomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Seleccionar cadeia" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Seleccionar molécula" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Consola de Script Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Modelo" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientação" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Abrir ficheiro seleccionado" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Abrir" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Superfície Molecular" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Esconder" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Tracejado" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Tamanho do pixel" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Tamanho Angstrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Mostrar Hidrogénios" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Mostrar medições" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Profundidade da perspectiva" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Cores RasMol" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "eixo x y z esperado" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Ãndices de Miller não podem ser todos iguais a zero" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "cor esperada" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "ficheiro não encontrado" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "argumentos incompatíveis" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "argumentos insuficientes" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "esperado inteiro" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "argumento inválido" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Apenas uma orbital molecular está disponível neste ficheiro" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "número experado" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "parâmetro {0} não reconhecido" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} esperado" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} inesperado" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet versão {0} {1}.\n" -"Um projecto OpenScience.\n" -"Ver http://www.jmol.org para mais informação" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Erro no ficheiro..." - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} átomos seleccionados" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" - -#~ msgid "Hide Symmetry" -#~ msgstr "Esconder Simetria" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "A carregar a applet Jmol ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} segundos" - -#~ msgid "Java version:" -#~ msgstr "Versão Java:" - -#~ msgid "1 processor" -#~ msgstr "1 processador" - -#~ msgid "Java memory usage:" -#~ msgstr "Utilização de memória Java:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB livres" - -#~ msgid "unknown maximum" -#~ msgstr "máximo desconhecido" diff --git a/qmpy/web/static/js/jsmol/idioma/pt_BR.po b/qmpy/web/static/js/jsmol/idioma/pt_BR.po deleted file mode 100644 index a231ddb4..00000000 --- a/qmpy/web/static/js/jsmol/idioma/pt_BR.po +++ /dev/null @@ -1,2654 +0,0 @@ -# Copyright (C) 2005 -# This file is distributed under the same license as the Jmol package. -# FIRST AUTHOR , YEAR. -# -msgid "" -msgstr "" -"Project-Id-Version: Jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Rafael Neri \n" -"Language-Team: Brazilian Portuguese \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Country: BRAZIL\n" -"X-Poedit-Language: Portuguese\n" -"X-Poedit-Basepath: ../../../..\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Elemento?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Terminal de programação do Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Arquivo" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Fechar" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "A&juda" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Pesquisar..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Comandos" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "&Funções matemáticas" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Definir &parâmetros" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Mais" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "&Editor" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Estado" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Executar" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Apagar a saída de dados" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Apagar a entrada de dados" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Histórico" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Carregar" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"Pressione CTRL-ENTER para uma nova linha ou cole os dados do modelo e " -"pressione Carregar" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"As novas mensagens aparecerão aqui. Entre com os comandos que deseja na " -"caixa abaixo. Clique no menu de ajuda do console para ajuda via Internet, a " -"qual será mostrada em nova janela do navegador." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Editor de \"script\" do Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Console" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Abrir" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Frontal" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "\"Script\"" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Conferir" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Início" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Passo" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Pausa" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Continuar" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Parar" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Apagar" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Fechar" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Arquivo ou URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Tipo de imagem" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Qualidade JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Compressão PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Qualidade PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Sim" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Não" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Deseja sobrescrever o arquivo {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Aviso" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Todos os arquivos" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Cancelar" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Cancelar diálogo do selecionador de arquivo" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Detalhes" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Diretório" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Abrir o diretório selecionado" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Atributos" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Modificado" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Arquivo genérico" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Nome" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Nome do arquivo:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Tamanho" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Arquivos do tipo:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Tipo" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Ajuda" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Ajuda do Selecionador de Arquivo" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Início" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Listar" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Procurar em:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Erro ao criar pasta nova" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Pasta nova" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Criar pasta nova" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Abrir arquivo selecionado" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Gravar" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Gravar arquivo selecionado" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Gravar em:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Atualizar" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Atualizar listagem de diretório" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Acima" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Um nível acima" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Pré-visualizar" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Anexar modelos" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"NOTA: As posições principais das pontes de amido-hidrogênio estão presentes " -"e serão ignoradas. Suas posições serão aproximadas de acordo com uma análise " -"pelo padrão DSSP.\n" -"Utilize {0} se não quiser que essa aproximação aconteça.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"NOTA: As posições principais das pontes de amido-hidrogênio estão presentes " -"e serão utilizadas. Os resultados podem diferir radicalmente da análise pelo " -"padrão DSSP.\n" -"Utilize {0} para ignorar as posições das cadeias de hidrogênio.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Ãrabe" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturiano" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bósnio" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Catalão" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Tcheco" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Dinamarquês" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Alemão" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Grego" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Inglês australiano" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Inglês britânico" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Inglês americano" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Espanhol" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estoniano" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finlandês" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Feroês" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Francês" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Frísio" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "Galego" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Croata" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Húngaro" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armênio" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonésio" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italiano" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japonês" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Javanês" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Coreano" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Malasiano" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Bokmal Norueguês" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Holandês" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitano" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polonês" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Português" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Português brasileiro" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Russo" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Esloveno" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Sérvio" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Sueco" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tâmil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turco" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uigur" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ucraniano" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Chinês simplificado" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Chinês tradicional" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Não foi possível obter a classe para o campo de força {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Nenhum átomo selecionado -- nada a fazer!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} átomo(s) será(ão) minimizado(s)" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "Não foi possível configurar o campo de força {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "Novo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "Desfazer (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "Refazer (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "centrar" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "Adicionar moléculas de hidrogênio" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "Mover um átomo (utilizando campo de força UFF)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "Consertar ligações de hidrogênio e movê-las" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "Limpar" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "Gravar arquivo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "Gravar um instantâneo da seção" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "Inverter a estereoquímica do anel" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "Remover átomo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "Arrastar até a ligação da molécula" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "Arrastar o átomo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "Arraster o átomo e movê-lo (com campo de força)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "Arrastar e mover molécula com campo de força (ligação molecular)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "Aumentar carga" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "Diminuir carga" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "Apagar ligação química" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "Molécula simples" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "Molécula com ligação dupla" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "Molécula com ligação tripla" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "Aumentar ordem de ligações" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "Diminuir ordem de ligações" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "Girar ligação molecular" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "Sair do modo de construção de moléculas" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Grupo Espacial" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Nenhum" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Todos" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} processadores" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB total" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB máximo" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Terminal de programação do Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Manual do \"mouse\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Traduções" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Sistema" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Nenhum átomo foi carregado" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Configurações" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Elemento" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Modelo/Quadro" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Idioma" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Por nome do resíduo" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Por HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Órbitas moleculares ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Simetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Informações do modelo" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Selecionar ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Todos os {0} modelos" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Configurações ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Coleção de {0} modelos" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "Ãtomos: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "Ligações: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "Grupos: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "Cadeias: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "Polímeros: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "Modelo {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Mostrar {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Menu Principal" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomoléculas" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolécula {0} ({1} átomos)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "carregar biomolécula {0} ({1} átomos)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Nenhum" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Mostrar somente os selecionados" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Inverter seleção" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Visualização" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Frontal" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Lateral esquerda" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Lateral direita" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Topo" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Inferior" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Trazeira" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Proteína" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Espinha" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Cadeias laterais" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Resíduos polares" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Resíduos apolares" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Resíduos básicos (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Resíduos ácidos (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Resíduos sem carga" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Ãcido Nucléico" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Bases" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "Pares AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "Pares GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "Pares AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Estrutura secundária" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Todos os \"HETATM\" do PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Todo o solvente" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Toda a água" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Solvente não aquoso" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "HETATM não aquoso" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligante" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Carboidrato" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Nenhum dos anteriores" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Estilo" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Esquema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "Preenchimento CPK" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Esferas e Varetas" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Varetas" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Arames" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Desenhos" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Traçados" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Ãtomos" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Desligado" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Ligações" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Ligado" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Pontes de Hidrogênio" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Calcular" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Definir pontes de H (cadeias laterais)" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Definir pontes de H (espinha)" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Pontes dissulfeto" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Definir pontes SS (cadeias lateriais)" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Definir pontes SS (espinha)" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Estruturas" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Desenhos e Foguetes" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Fitas" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Foguetes" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Tiras" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibração" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vetores" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Espectro" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pixel(éis)" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Escala {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Visão estereográfica" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Óculos Vermelho+Ciano" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Óculos Vermelho+Azul" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Óculos Vermelho+Verde" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Visualização \"estrábica\" convergente" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Visualização \"estrábica\" divergente" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Rótulos" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Símbolo do elemento" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Nome do átomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Número do átomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Posicionar rótulo no átomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Centrado" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Em cima, à direita" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Em baixo, à direita" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Em cima, à esquerda" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Em baixo, à esquerda" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Cor" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Por esquema" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Elemento (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Localização alternativa" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molécula" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Carga formal" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Carga parcial" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Temperatura (Relativa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Temperatura (Fixa)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminoácido" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Cadeia" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Grupo" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monômero" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Formato" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Herdar" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Preto" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Branco" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Ciano" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Vermelho" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Laranja" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Amarelo" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Verde" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Azul" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Ãndigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violeta" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Salmão" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Verde-oliva" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Marrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Cinzento" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Azul-acinzentado" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Dourado" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Roxo" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Tornar opaco" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Tornar translúcido" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Fundo" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Superfícies" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Eixos" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Caixa limitante" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Cela unitária" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Zoom" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Zoom [+]" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Zoom [-]" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Rotação" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Definir taxa X" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Definir taxa Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Definir taxa Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Definir FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animação" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Modo de animação" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Reproduzir/tocar uma vez" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palíndromo (vai-volta)" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Repetição" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Reproduzir" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Parar" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Próximo quadro" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Quadro anterior" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Rebobinar" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Reverter" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Reiniciar" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Medições" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Clique duplo inicia e termina todas as medições" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Clique para medição de distância" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Clique para medição de ângulo" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Clique para medição da torção (diédrica)" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Clique em dois átomos para exibir uma sequência no console" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Apagar medições" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Listar medições" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Unidade de distância em nanometros" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Unidade de distância em Angstroms" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Unidade de distância em picometros" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Definir modo de seleção" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Centrar no selecionado" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identidade" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Rotular o selecionado" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Selecionar átomo" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Selecionar cadeia" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Selecionar elemento" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "Sair do modo de construção de moléculas" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Selecionar grupo" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Selecionar molécula" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Selecionar sítio" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Mostrar operação de simetria" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Exibir" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Terminal de programação do Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Conteúdo do arquivo" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Cabeçalho do arquivo" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Dados JVXL da isosuperfície" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Dados JVXL do orbital molecular" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Modelo" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientação" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Grupo Espacial" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Estado atual" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Arquivo" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Recarregar" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Abrir de arquivo PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Abrir arquivo selecionado" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Abrir" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Carregar cela unitária completa" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Abrir \"script\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Gravar uma cópia de {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Gravar \"script\" com estado" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Gravar \"script\" com histórico" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Exportar {0} imagem" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Salvar todos como arquivo JMOL (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Gravar isosuperfície JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Exportar {0} modelo(s) 3D" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Computação" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Otimizar estrutura" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Modelagem" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Extrair dados MOL" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Superfície pontilhada" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "Superfície de van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Superfície molecular" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Superfície de solvente (sonda de {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Superfície acessível ao solvente (VDW + {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Recarregar {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Recarregar {0} + Mostrar {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Recarregar + poliédro" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Ocultar" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Tracejado" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Espessura (pixel)" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Espessura (Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Halos de seleção" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Exibir Hidrogênios" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Exibir medições" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Profundidade de perspectiva" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Cores conforme RasMol" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Sobre..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "ERRO no compilador de \"script\": " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "esperado um eixo x y z" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} não é permitido com o modelo de fundo sendo mostrado" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "número de argumentos errôneo" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Ãndices Miller não podem ser todos iguais a zero." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "cor [R,G,B] errônea" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "esperado um booleano" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "esperado um booleano ou um número" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "esperado um booleano, um número ou um {0}" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "não pode definir o valor" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "esperada uma cor" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "uma cor ou nome de paleta (Jmol, Rasmol) é necessária" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "esperado um comando" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "necessário {x y z} ou $name ou (atom expression)" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "objeto de desenho não definido" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "comando de término de \"script\" não esperado" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "esperada uma (atom expression) válida" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "esperada uma (atom expression) ou número inteiro" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "esperado um nome de arquivo" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "arquivo não encontrado" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "argumentos incompatíveis" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "argumentos insuficientes" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "esperado um número inteiro" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "número inteiro fora de limite ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "argumento inválido" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "ordem de parâmetros inválida" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "esperada uma palavra-chave" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "nenhum dado de coeficiente MO está disponível" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "Um índice MO de 1 a {0} é necessário" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "nenhum dado de base/coeficiente MO está disponível para este quadro" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "nenhum dado de utilização MO está disponível" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Somente um Orbital Molecular (MO) está disponível neste arquivo" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} requer que somente um modelo seja mostrado" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} requer que só um modelo seja carregado." - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Nenhum dado disponível" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Nenhuma carga parcial foi lida do arquivo; Jmol necessita destas para " -"renderizar os dados de MEP" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Sem cela unitária" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "esperado um número" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "o número deve ser ({0} ou {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "número decimal fora de limite ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "esperado um nome de objeto depois de '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"esperado um plano -- três pontos ou uma \"atom expression\" ou {0} ou {1} ou " -"{2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "esperado um nome de propriedade" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "o Grupo Espacial {0} não foi encontrado." - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "esperada uma série de caracteres entre aspas" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "esperada uma série de caracteres entre aspas ou um identificador" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "foram especificados excessivos pontos de rotação" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "excessivos níveis de \"script\"" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "propriedade de átomo não identificável" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "propriedade de ligação não identificável" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "comando não identificável" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "expressão não identificável durante a execução" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "objeto não identificável" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "parâmetro {0} não identificável" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" -"parâmetro {0} não identificável no \"script\" de estado do Jmol (mesmo assim " -"foi definido)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "parâmetro SHOW não identificável -- usar {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "Escrever o quê? {0} ou {1} \"nome-de-arquivo\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "ERRO no \"script\": " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} átomo(s) deletado(s)" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} ponte(s) de Hidrogênio" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "Criado o arquivo {0}" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "contexto inválido para {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "esperado { número número número }" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "esperado um término de expressão" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "esperado um identificador ou especificação de resíduo" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "especificação de átomo inválida" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "especificação de cadeia inválida" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "símbolo de expressão inválido: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "especificação de modelo inválido" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "END faltando para {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "esperado um número ou um nome de variável" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "esperada uma especificação de resíduo (ALA, AL?, A*)" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "esperado(a) {0}" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "não esperado(a) {0}" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "símbolo de expressão não identificável: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "símbolo não identificável: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} estrutura(s) adicionada(s)" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} conexão(ões) removida(s)" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} ligação(ões) nova(s); {1} modificada(s)" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Nota: Mais do que um modelo está envolvido neste contato!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Clicar para ver menu..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Mini-aplicativo Jmol versão {0} {1}.\n" -"\n" -"Um projeto OpenScience.\n" -"\n" -"Consulte http://www.jmol.org para mais informações" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Erro no arquivo:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "Anexar ou criar novo átomo ou ligação ({0} é necessário)" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "menu de contexto recente em janela extra (clicar em Jmol frank)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "Apagar átomo ({0} é necessário)" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "eliminar ligação (requer {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "ajustar profundidade (plano trazeiro; requer {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "Mover átomo ({0} é necessário)" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "mover todo o objeto \"DRAW\" (requer {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "mover um ponto \"DRAW\" específico (requer {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "mover rótulo (requer {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "Mover átomo e molécula (utilizando campo de força - {0} é necessário)" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "Mover molécula e mudar as coordenadas do átomo ({0} é necessário)" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "mover os átomos selecionados (requer {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "arrastar átomos na direção Z (requer {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simular multitoque usando o \"mouse\")" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "mover ponto de navegação (requer {0} e {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "selecionar um átomo" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "conectar átomos (requer {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "Escolha um ponto de isosuperfície ({0} é necessário)" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" -"selecionar um rótulo para alternar entre escondido/visível (requer {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"selecionar um átomo para incluí-lo em uma medição (após iniciar a medição ou " -"após {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "Escolha um ponto ou um átomo para visualizar ({0} é necessário)" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" -"Escolha um ponto para desenhar e utilizar como medição ({0} é necessário)" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "menu de contexto completo em janela extra" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "reiniciar (quando clicado fora do modelo)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "girar" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "Girar a estrutura sobre a ligação ({0} é necessáro)" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "girar os átomos selecionados (requer {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "girar no eixo Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"girar no eixo Z (movimento horizontal do \"mouse\") ou zoom (movimento " -"vertical do \"mouse\")" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "selecionar um átomo (requer {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "selecionar e arrastar átomos (requer {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "cancelar a seleção deste grupo de átomos (requer {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "selecionar \"NONE\" (requer {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" -"adicionar este grupo de átomos ao conjunto de átomos selecionados (requer " -"{0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "Marcar ou desmarcar seleção ({0} é necessário)" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"se todos estão selecionados, cancelar a seleção; senão, adicionar este grupo " -"de átomos ao conjunto de átomos selecionados (requer {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "selecione um átomo para iniciar ou concluir uma medição" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "ajustar \"slab\" (plano frontal; requer {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "mover \"slab\"/profundidade (ambos os planos; requer {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "zoom (ao longo da borda direita da janela)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"clique em dois pontos para girar o eixo no sentido anti-horário ({0} é " -"necessário)" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"clique em dois pontos para girar o eixo no sentido horário ({0} é necessário)" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "parar movimento (requer {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" -"rodar o modelo (\"bater\" girando, liberar o botão e parar o movimento " -"simultaneamente)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "translação" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "zoom" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" -"selecione um átomo adicional para poder rodar o modelo em torno de um eixo" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "selecione dois átomos para poder rodar o modelo em torno de um eixo" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "selecione um átomo adicional para mostrar a relação de simetria" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "selecione dois átomos para mostrar a relação de simetria entre eles" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Arquivo de log definido para {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Impossível definir caminho para arquivo de log" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} átomo(s) oculto(s)" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} átomo(s) selecionado(s)" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Arraste para mover rótulo" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "área de transferência não está acessível -- use o \"applet\" assinado" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} hidrogênio(s) adicionado" - -#~ msgid "Hide Symmetry" -#~ msgstr "Ocultar Simetria" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Carregando o mini-aplicativo Jmol ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} segundos" - -#~ msgid "Java version:" -#~ msgstr "Versão do Java:" - -#~ msgid "1 processor" -#~ msgstr "1 processador" - -#~ msgid "unknown processor count" -#~ msgstr "número de processadores desconhecido" - -#~ msgid "Java memory usage:" -#~ msgstr "Memória usada pelo Java:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB livre(s)" - -#~ msgid "unknown maximum" -#~ msgstr "máximo desconhecido" - -#~ msgid "Open file or URL" -#~ msgstr "Abrir arquivo ou URL" diff --git a/qmpy/web/static/js/jsmol/idioma/ru.po b/qmpy/web/static/js/jsmol/idioma/ru.po deleted file mode 100644 index ab3e2aad..00000000 --- a/qmpy/web/static/js/jsmol/idioma/ru.po +++ /dev/null @@ -1,2636 +0,0 @@ -# Russian translation for jmol -# Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2010. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2016-03-26 17:00+0200\n" -"Last-Translator: Ivlev Denis \n" -"Language-Team: Russian \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Poedit 1.8.7\n" -"Language: ru\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "Хотите заменить текущую модель выбранной?" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Элемент?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "КонÑоль Ñценариев Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Файл" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Закрыть" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Справка" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&ПоиÑк..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Команды" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Матем. &функции" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Применить &параматры" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Больше" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Редактор" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "СоÑтоÑние" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Выполнить" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "ОчиÑтить вывод" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "ОчиÑтить ввод" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "ИÑториÑ" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Загрузить" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"нажмите CTRL-ENTER Ð´Ð»Ñ Ð²Ð²Ð¾Ð´Ð° новой Ñтроки или вÑтавьте данные модели и " -"нажмите Загрузить" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"ЗдеÑÑŒ будут поÑвлÑÑ‚ÑŒÑÑ ÑообщениÑ. Вводите команды в поле ниже. Чтобы " -"получить помощь онлайн, выберите пункт меню конÑоли Справка, и она откроетÑÑ " -"в новом окне браузера." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Редактор Ñценариев Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "КонÑоль" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Открыть" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Спереди" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Сценарий" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Проверить" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Ðаверх" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Шаг" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "ПриоÑтановить" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Продолжить" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Завершить работу" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "ОчиÑтить" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Закрыть" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Файл или URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Тип изображениÑ" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "КачеÑтво JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Сжатие PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "КачеÑтво PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Да" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Ðет" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Хотите перезапиÑать файл {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Предупреждение" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Ð’Ñе файлы" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Отмена" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Прервать диалог выбора файла" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Подробно" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Папка" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Открыть выбранную папку" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "СвойÑтва" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Изменён" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Общий файл" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Ðазвание" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Ð˜Ð¼Ñ Ñ„Ð°Ð¹Ð»Ð°:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Размер" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Файлы типа:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Тип" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Справка" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Помощь окна выбора файла" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Ðачало" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "СпиÑок" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "ИÑкать в:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Ошибка ÑÐ¾Ð·Ð´Ð°Ð½Ð¸Ñ Ð½Ð¾Ð²Ð¾Ð¹ папки" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "ÐÐ¾Ð²Ð°Ñ Ð¿Ð°Ð¿ÐºÐ°" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Создать папку" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Открыть выбранный файл" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Сохранить" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Сохранить выбранный файл" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Сохранить в:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Обновить" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Обновить папку" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Вверх" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Вверх на один уровень" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "ПредпроÑмотр" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Добавить модели" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "ПредпроÑмотр PDB " - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"ЗÐМЕЧÐÐИЕ: ÐŸÐ¾Ð»Ð¾Ð¶ÐµÐ½Ð¸Ñ Ð°Ñ‚Ð¾Ð¼Ð¾Ð² водорода в амидных группах Ñкелета уÑтановлены, " -"но будут игнорированы. Их позиции будут вычиÑлены приблизительно, как в " -"Ñтандартном анализе DSSP.\n" -"ИÑпользуйте {0}, чтобы не применÑÑ‚ÑŒ Ñту аппрокÑимацию.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"ЗÐМЕЧÐÐИЕ: ÐŸÐ¾Ð»Ð¾Ð¶ÐµÐ½Ð¸Ñ Ð°Ñ‚Ð¾Ð¼Ð¾Ð² водорода в амидных группах Ñкелета уÑтановлены и " -"будут иÑпользоватьÑÑ. Результаты могут значительно отличатьÑÑ Ð¾Ñ‚ " -"Ñтандартного анализа DSSP.\n" -"ИÑпользуйте {0}, чтобы игнорировать Ñти позиции атомов водорода.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "ÐрабÑкий" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "ÐÑтурианÑкий" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "ÐзербайджанÑкий" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "БоÑнийÑкий" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "КаталанÑкий" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "ЧешÑкий" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "ДатÑкий" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Ðемецкий" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "ГречеÑкий" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "ÐвÑтралийÑкий английÑкий" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "БританÑкий английÑкий" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "ÐмериканÑкий английÑкий" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "ИÑпанÑкий" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "ЭÑтонÑкий" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "БаÑкÑкий" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "ФинÑкий" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "ФарерÑкий" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "ФранцузÑкий" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "ФризÑкий" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "ГалиÑийÑкий" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "ХорватÑкий" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "ВенгерÑкий" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "ÐрмÑнÑкий" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "ИндонезийÑкий" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "ИтальÑнÑкий" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "ЯпонÑкий" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "ЯванÑкий" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "КорейÑкий" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "МалайÑкий" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "ÐорвежÑкий (букмол)" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "ГолландÑкий" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "ОкÑитанÑкий" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "ПольÑкий" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "ПортугальÑкий" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "БразильÑкий португальÑкий" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "РуÑÑкий" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "СловенÑкий" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "СербÑкий" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "ШведÑкий" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "ТамильÑкий" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Телугу" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Турецкий" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "УйгурÑкий" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "УкраинÑкий" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "УзбекÑкий" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Упрощённый китайÑкий" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Традиционный китайÑкий" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Ðе удалоÑÑŒ получить клаÑÑ Ð´Ð»Ñ Ñилового Ð¿Ð¾Ð»Ñ {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Ðтомы не выбраны — нечего делать!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} атомов будут минимизированы." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "невозможно уÑтановить Ñиловое поле {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "новый" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "отменить (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "повторить (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "по центру" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "добавить атомы водорода" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "Ñвернуть" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "зафикÑировать атомы водорода и Ñвернуть" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "очиÑтить" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "Ñохранить файл" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "Ñохранить ÑоÑтоÑние" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "Обратить Ñтереохимию кольца" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "удалить атом" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "перетащить Ð´Ð»Ñ ÑÐ¾Ð·Ð´Ð°Ð½Ð¸Ñ ÑвÑзи" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "перетащить атом" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "перетащить атом (и минимизировать)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "перетащить молекулу (ALT Ð´Ð»Ñ Ð²Ñ€Ð°Ñ‰ÐµÐ½Ð¸Ñ)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "перетащить и минимизировать молекулу (докинг)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "увеличить зарÑд" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "уменьшить зарÑд" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "удалить ÑвÑзь" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "одинарнаÑ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "двойнаÑ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "тройнаÑ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "увеличить порÑдок" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "уменьшить порÑдок" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "повернуть ÑвÑзь (SHIFT-ТЯÐУТЬ)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "выйти из режима моделированиÑ" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "ПроÑтранÑÑ‚Ð²ÐµÐ½Ð½Ð°Ñ Ð³Ñ€ÑƒÐ¿Ð¿Ð°" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Ðичего" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Ð’Ñе" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} процеÑÑоров" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} МБ вÑего" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} МБ макÑимум" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "не захватываю" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -msgid "Jmol Script Commands" -msgstr "Команды Ñценариев Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "РуководÑтво по работе Ñ Ð¼Ñ‹ÑˆÑŒÑŽ" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Переводы" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "СиÑтема" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Ðтомы не загружены" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Конфигурации" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Элемент" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Модель/Структура" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Язык" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "По названию оÑтатка" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "По HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "МолекулÑрные орбитали ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "СимметриÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Ð˜Ð½Ñ„Ð¾Ñ€Ð¼Ð°Ñ†Ð¸Ñ Ð¾ модели" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Выберите ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Ð’Ñе {0} моделей" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Конфигурации ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "ÐšÐ¾Ð»Ð»ÐµÐºÑ†Ð¸Ñ Ð¸Ð· {0} моделей" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "атомов: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "ÑвÑзей: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "групп: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "цепей: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "полимеров: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "модель {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Вид {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Главное меню" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Биомолекулы" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "биомолекула {0} ({1} атомов)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "загрузить биомолекулу {0} ({1} атомов)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Ðичего" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Отображать только выделенное" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Обратить выделение" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Вид" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "Ðаилучший" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Спереди" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Слева" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Справа" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Сверху" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Снизу" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Сзади" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -msgid "Axis x" -msgstr "ОÑÑŒ Ñ…" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -msgid "Axis y" -msgstr "ОÑÑŒ y" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -msgid "Axis z" -msgstr "ОÑÑŒ z" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -msgid "Axis a" -msgstr "ОÑÑŒ а" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -msgid "Axis b" -msgstr "ОÑÑŒ b" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -msgid "Axis c" -msgstr "Axis c" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "Сцены" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Белок" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "КаркаÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Боковые цепи" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "ПолÑрные оÑтатки" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "ÐеполÑрные оÑтатки" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "ОÑнòвные оÑтатки (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "КиÑлотные оÑтатки(-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "ÐезарÑженные оÑтатки" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Ðуклеиновые" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "ДÐК" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "РÐК" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "ОÑнованиÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "Пары AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "Пары GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "Пары AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Ð’Ñ‚Ð¾Ñ€Ð¸Ñ‡Ð½Ð°Ñ Ñтруктура" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Гетеро" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Ð’Ñе \"HETATM\" из PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Ð’Ñе молекулы раÑтворителÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Ð’Ñе молекулы воды" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Ðеводный раÑтворитель" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "Ðеводный HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Лиганд" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Углеводы" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Ðичего из перечиÑленного" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Стиль" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Схема" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "СРК полуÑферичеÑÐºÐ°Ñ (Стюарта-Бриглеба)" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "ШароÑтержневаÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "СтержневаÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "КаркаÑнаÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "КомикÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "След" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Ðтомы" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Выкл" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% Ван-дер-ВаальÑова радиуÑа" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "СвÑзи" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Вкл." - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Водородные ÑвÑзи" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "РаÑÑчитать" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Показывать Ð-ÑвÑзи как идущие от боковых групп" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Показывать Ð-ÑвÑзи как идущие от Ñкелета" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "ДиÑульфидные моÑтики" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Показывать SS-ÑвÑзи как идущие от боковых групп" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Показывать SS-ÑвÑзи как идущие от Ñкелета" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Структуры" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "КомикÑ+ракеты" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Ленты" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Ракеты" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Ðити" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "ВибрациÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Векторы" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Спектры" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "ЯМР 1H" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "ЯМР 13С" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} пикÑелей" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "МаÑштаб {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "СтереографичеÑкаÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Очки КраÑный+Голубой" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Очки КраÑный+Синий" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Очки КраÑный+Зелёный" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Метод перекрёÑтного взглÑда" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Метод параллельного взглÑда" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Метки" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Символ Ñлемента" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Ðазвание атома" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Ðтомный номер" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "РаÑположение метки на атоме" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "По центру" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Вверху Ñправа" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Внизу Ñправа" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Вверху Ñлева" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Внизу Ñлева" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Цвет" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "По Ñхеме" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Элемент (СРК)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Ðльтернативное раÑположение" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Молекула" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Формальный зарÑд" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "ЧаÑтичный зарÑд" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Температура (отноÑÐ¸Ñ‚ÐµÐ»ÑŒÐ½Ð°Ñ ÑˆÐºÐ°Ð»Ð°)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Температура (фикÑÐ¸Ñ€Ð¾Ð²Ð°Ð½Ð½Ð°Ñ ÑˆÐºÐ°Ð»Ð°)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "ÐминокиÑлота" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Цепь" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Группа" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Мономер" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "По аминокиÑлоте/нуклеотиду" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "По умолчанию" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Черный" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Белый" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Голубой" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "КраÑный" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Оранжевый" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Жёлтый" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Зелёный" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Синий" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Индиго" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Фиолетовый" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Оранжево-розовый" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Оливковый" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Тёмно-бордовый" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Серый" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Синевато-Ñерый" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Золотой" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Светло-лиловый" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Сделать непрозрачным" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Сделать прозрачным" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Фон" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "ПоверхноÑти" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "ОÑи" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Рамка" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Ð­Ð»ÐµÐ¼ÐµÐ½Ñ‚Ð°Ñ€Ð½Ð°Ñ Ñчейка" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "МаÑштаб" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Увеличить" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Уменьшить" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Вращение" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "СкороÑÑ‚ÑŒ по Ð¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "СкороÑÑ‚ÑŒ по Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "СкороÑÑ‚ÑŒ по Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Кадров в Ñекунду" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "ÐнимациÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Режим анимации" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Проиграть однократно" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Палиндром" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Зациклить" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "ВоÑпроизвеÑти" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Стоп" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Следующий кадр" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Предыдущий кадр" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Перемотать к началу" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "От конца к началу" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "ПерезапуÑк" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "ИзмерениÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Двойной щелчок начинает и завершает измерениÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Щелчок Ð´Ð»Ñ Ð¸Ð·Ð¼ÐµÑ€ÐµÐ½Ð¸Ñ Ñ€Ð°ÑÑтоÑний" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Щелчок Ð´Ð»Ñ Ð¸Ð·Ð¼ÐµÑ€ÐµÐ½Ð¸Ñ ÑƒÐ³Ð»Ð¾Ð²" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Щелчок Ð´Ð»Ñ Ð¸Ð·Ð¼ÐµÑ€ÐµÐ½Ð¸Ñ Ñ‚Ð¾Ñ€Ñионных (диÑдральных) углов" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Щелкните два атома чтобы показать поÑледовательноÑÑ‚ÑŒ в конÑоли" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Удалить измерениÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Показать результаты измерений" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Единицы раÑÑтоÑÐ½Ð¸Ñ - нанометры" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Единицы раÑÑтоÑÐ½Ð¸Ñ - ангÑтремы" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Единицы раÑÑтоÑÐ½Ð¸Ñ - пикометры" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "ДейÑтвие по щелчку" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Центрировать" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "СвойÑтва" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Метка" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Выделить атом" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Выделить цепь" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Выделить Ñлемент" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "Ðабор инÑтрументов" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Выделить группу" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Выделить молекулу" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Выберите Ñайт" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Показать операцию Ñимметрии" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Показать" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "КонÑоль Ñценариев Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Содержимое файла" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Заголовок файла" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "JVXL-данные изоповерхноÑти" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "JVXL-данные молекулÑрной орбитали" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Модель" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "ОриентациÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "ПроÑтранÑÑ‚Ð²ÐµÐ½Ð½Ð°Ñ Ð³Ñ€ÑƒÐ¿Ð¿Ð°" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Текущее ÑоÑтоÑние" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Файл" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "ЭкÑпорт" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Перезагрузить" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Открыть файл PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -msgid "Open local file" -msgstr "Открыть локальный файл" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -msgid "Open URL" -msgstr "Открыть URL" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Загрузить Ñлементарную Ñчейку" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Открыть Ñценарий" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "Захват" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "Захватить качаниÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "Захватить вращение" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "Ðачать захват" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "Закончить захват" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "Отключить захват" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "Возобновить захват" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "УÑтановить ÑкороÑÑ‚ÑŒ Ð¿Ñ€Ð¾Ð¸Ð³Ñ€Ñ‹Ð²Ð°Ð½Ð¸Ñ Ð·Ð°Ñ…Ð²Ð°Ñ‚Ð°" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "Переключить зацикливание захвата" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Сохранить копию {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Сохранить Ñценарий Ñ ÑоÑтоÑнием" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Сохранить Ñценарий Ñ Ð¸Ñторией" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "ЭкÑпорт {0} изображениÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Сохранить как файл PNG/JMOL (риÑунок+zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Сохранить JVXL-изоповерхноÑÑ‚ÑŒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "ЭкÑпорт {0} 3D модели" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "РаÑчет" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "ÐžÐ¿Ñ‚Ð¸Ð¼Ð¸Ð·Ð°Ñ†Ð¸Ñ Ñтруктуры" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Ðабор инÑтрументов" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Извлечь MOL-данные" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Ð¢Ð¾Ñ‡ÐµÑ‡Ð½Ð°Ñ Ð¿Ð¾Ð²ÐµÑ€Ñ…Ð½Ð¾ÑÑ‚ÑŒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "ПоверхноÑÑ‚ÑŒ Ван-дер-ВаальÑа" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "МолекулÑÑ€Ð½Ð°Ñ Ð¿Ð¾Ð²ÐµÑ€Ñ…Ð½Ð¾ÑÑ‚ÑŒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "ПоверхноÑÑ‚ÑŒ раÑÑ‚Ð²Ð¾Ñ€Ð¸Ñ‚ÐµÐ»Ñ (зонд в {0}-ÐнгÑтрем )" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "ПоверхноÑÑ‚ÑŒ, доÑÑ‚ÑƒÐ¿Ð½Ð°Ñ Ñ€Ð°Ñтворителю (VDW + {0} ÐнгÑтрем)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "ЭлектроÑтатичеÑкий потенциал молекулы (ВЕСЬ диапазон)" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "ЭлектроÑтатичеÑкий потенциал молекулы (диапазон -0.1 0.1)" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Перезагрузить {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Перезагрузить {0} + Показать {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Перезагрузить + полиÑдры" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Скрыть" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "ТочечнаÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Ширина в пикÑелÑÑ…" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} пикÑелей" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Ширина в ÐнгÑтремах" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Ореол выделениÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Показать атомы водорода" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Показывать измерениÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Глубина перÑпективы" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Цвета RasMol " - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "О программе..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "ОШИБКРкомпилÑтора Ñкрипта:" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "ожидаютÑÑ Ð¾Ñи x y z" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} не разрешен при отображении фоновой модели" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "неверное чиÑло аргументов" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Ð’Ñе индекÑÑ‹ Миллера не могут равнÑÑ‚ÑŒÑÑ Ð½ÑƒÐ»ÑŽ." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "плохой цвет [R,G,B]" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "ожидаетÑÑ Ð±ÑƒÐ»ÐµÐ²Ð° переменнаÑ" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "ожидаетÑÑ Ð±ÑƒÐ»ÐµÐ²Ð° или чиÑÐ»Ð¾Ð²Ð°Ñ Ð¿ÐµÑ€ÐµÐ¼ÐµÐ½Ð½Ð°Ñ" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "ожидаетÑÑ Ð±ÑƒÐ»ÐµÐ²Ð° или чиÑÐ»Ð¾Ð²Ð°Ñ Ð¿ÐµÑ€ÐµÐ¼ÐµÐ½Ð½Ð°Ñ Ð¸Ð»Ð¸ {0}" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "не могу уÑтановить значение" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "ожидаетÑÑ Ñ†Ð²ÐµÑ‚" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "требуетÑÑ Ð½Ð°Ð·Ð²Ð°Ð½Ð¸Ðµ цвета или палитры (Jmol, Rasmol)" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "ожидаетÑÑ ÐºÐ¾Ð¼Ð°Ð½Ð´Ð°" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "требуетÑÑ {x y z} или $name или (atom expression)" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "объект Ð´Ð»Ñ Ð¾Ñ‚Ñ€Ð¸Ñовки не определен" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "неожиданное окончании команды ÑценариÑ" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "ожидаетÑÑ ÐºÐ¾Ñ€Ñ€ÐµÐºÑ‚Ð½Ñ‹Ð¹ (atom expression)" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "ожидаетÑÑ (atom expression) или целое чиÑло" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "ожидаетÑÑ Ð½Ð°Ð·Ð²Ð°Ð½Ð¸Ðµ файла" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "файл не найден" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "неÑовмеÑтимые аргументы" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "недоÑтаточно аргументов" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "ожидаетÑÑ Ñ†ÐµÐ»Ð¾Ðµ чиÑло" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "целое чиÑло вне диапазона ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "недопуÑтимый аргумент" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "неверный порÑдок параметров" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "ожидалоÑÑŒ ключевое Ñлово" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "нет доÑтупных данных по коÑффициентам МО" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "ТребуетÑÑ Ð¸Ð½Ð´ÐµÐºÑ ÐœÐž от 1 до {0}" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "Ð´Ð»Ñ Ñтого кадра нет доÑтупных данных по базиÑу/коÑффициентам МО" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "нет доÑтупных данных по заÑеленноÑти МО" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Ð’ Ñтом файле еÑÑ‚ÑŒ только одна молекулÑÑ€Ð½Ð°Ñ Ð¾Ñ€Ð±Ð¸Ñ‚Ð°Ð»ÑŒ" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} требует, чтобы была отображена только одна модель" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} требует, чтобы была загружена только одна модель" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Данные недоÑтупны" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Из файла не Ñчитаны чаÑтичные зарÑды, они необходимы Ð´Ð»Ñ Ð¾Ð±Ñ€Ð°Ð±Ð¾Ñ‚ÐºÐ¸ данных в " -"MEP в Jmol." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Ðет Ñлементарной Ñчейки" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "ожидаетÑÑ Ñ‡Ð¸Ñло" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "чиÑло должно быть ({0} или {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "деÑÑтичное чиÑло вне диапазона ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "ожидаетÑÑ Ð½Ð°Ð·Ð²Ð°Ð½Ð¸Ðµ объекта поÑле '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"ожидаетÑÑ Ð¿Ð»Ð¾ÑкоÑÑ‚ÑŒ -- три точки либо atom expressions либо {0} либо {1} " -"либо {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "ожидаетÑÑ Ð½Ð°Ð·Ð²Ð°Ð½Ð¸Ðµ ÑвойÑтва" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr " проÑтранÑÑ‚Ð²ÐµÐ½Ð½Ð°Ñ Ð³Ñ€ÑƒÐ¿Ð¿Ð° {0} не найдена" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "ожидаетÑÑ Ñтрока в кавычках" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "ожидаетÑÑ Ñтрока в кавычках или идентификатор" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "указано Ñлишком много точек вращениÑ" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "Ñлишком много уровней ÑценариÑ" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "нераÑпознанное ÑвойÑтво атома" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "нераÑпознанное ÑвойÑтво ÑвÑзи" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "нераÑÐ¿Ð¾Ð·Ð½Ð°Ð½Ð½Ð°Ñ ÐºÐ¾Ð¼Ð°Ð½Ð´Ð°" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "нераÑпознанное выражение во Ð²Ñ€ÐµÐ¼Ñ Ð²Ñ‹Ð¿Ð¾Ð»Ð½ÐµÐ½Ð¸Ñ" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "нераÑпознанный объект" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "нераÑпознанный {0} параметр" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" -"нераÑпознанный {0} параметр в Ñценарии ÑоÑтоÑÐ½Ð¸Ñ Jmol (вÑе равно уÑтановлен)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "неопознанный параметр SHOW — иÑпользуйте {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "что запиÑать? Â«Ð¸Ð¼Ñ Ñ„Ð°Ð¹Ð»Ð°Â» {0} или {1}" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "ОШИБКРÑкрипта:" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "показ Ñохранен: {0}" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} атомов удалено" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} водородных ÑвÑзей" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "файл {0} Ñоздан" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "чтобы вернутьÑÑ, введите: &{0}" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "недейÑтвительный контекÑÑ‚ Ð´Ð»Ñ {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "ожидаетÑÑ { чиÑло чиÑло чиÑло} " - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "ожидаетÑÑ ÐºÐ¾Ð½ÐµÑ† выражениÑ" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "ожидаетÑÑ Ð¸Ð´ÐµÐ½Ñ‚Ð¸Ñ„Ð¸ÐºÐ°Ñ‚Ð¾Ñ€ или опиÑание оÑтатка" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "неверное опиÑание атома" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "неверное опиÑание цепи" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "недейÑтвительный Ñимвол выражениÑ: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "неверное опиÑание модели" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "отÑутÑтвует КОÐЕЦ Ð´Ð»Ñ {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "ожидаетÑÑ Ñ‡Ð¸Ñло или Ð¸Ð¼Ñ Ð¿ÐµÑ€ÐµÐ¼ÐµÐ½Ð½Ð¾Ð¹" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "ожидаетÑÑ Ð¾Ð¿Ð¸Ñание оÑтатка (ALA, AL?, A*)" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "ожидаетÑÑ {0}" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "неожиданный {0}" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "нераÑпознанный Ñимвол выражениÑ: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "нераÑпознанный Ñимвол: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "{0} зарÑдов изменено" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} каркаÑов добавлено" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "Примечание: Включите зацикливание, иÑÐ¿Ð¾Ð»ÑŒÐ·ÑƒÑ {0}" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "Задержка анимации, оÑÐ½Ð¾Ð²Ð°Ð½Ð½Ð°Ñ Ð½Ð°: {0}" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} Ñоединений удалено" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} новых ÑвÑзей; {1} изменено" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "Примечание: Более, чем одна модель задейÑтвована в Ñтом контакте!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Ðажмите Ð´Ð»Ñ Ñ‚Ð¾Ð³Ð¾, чтобы вызвать меню..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Ðпплет Jmol верÑии {0} {1}.\n" -"\n" -"Проект OpenScience.\n" -"\n" -"Подробнее на Ñайте http://www.jmol.org" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Ошибка файла:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "назначить/новый атом или ÑвÑзь (требует {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "показать недавнее контекÑтное меню (click on Jmol frank)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "удалить атом (требует {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "удалить ÑвÑзь (требует {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "наÑтроить глубину (Ñ‡ÐµÑ€Ð½Ð°Ñ Ð¿Ð»Ð¾ÑкоÑÑ‚ÑŒ; требует {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "передвинуть атом (требует {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "передвинуть веÑÑŒ объект DRAW (требует {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "передвинуть отдельную точку DRAW (требует {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "передвинуть метку (требует {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "передвинуть атом и минимизировать молекулу (требует {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "передвинуть и минимизировать молекулу (требует {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "передвинуть выбранные атомы (требует {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "Ñ‚Ñнуть атомы в направлении Z (требует {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "Ñимулировать мульти-тач иÑÐ¿Ð¾Ð»ÑŒÐ·ÑƒÑ Ð¼Ñ‹ÑˆÑŒ)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "перемеÑтить навигационную точку (требует {0} и {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "выбрать атом" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "Ñоединить атомы (требует {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "выбрать точку ИЗОПОВЕРХÐОСТИ (требует {0})" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "выбрать метку Ð´Ð»Ñ Ð¿ÐµÑ€ÐµÐºÐ»ÑŽÑ‡ÐµÐ½Ð¸Ñ Ñкрыть/отображать (требует {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"выбрать атом Ð´Ð»Ñ Ð²ÐºÐ»ÑŽÑ‡ÐµÐ½Ð¸Ñ Ð² измерение (поÑле начала Ð¸Ð·Ð¼ÐµÑ€ÐµÐ½Ð¸Ñ Ð¸Ð»Ð¸ поÑле {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "выбрать точку или атом чтобы перемеÑтитьÑÑ Ñ‚ÑƒÐ´Ð° (требует {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "выбрать точку DRAW (Ð´Ð»Ñ Ð¸Ð·Ð¼ÐµÑ€ÐµÐ½Ð¸Ð¹) (требует {0})" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "показать полное контекÑтное меню" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "ÑÐ±Ñ€Ð¾Ñ (при отщелкивании модели)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "повернуть" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "повернуть ветвь вокруг ÑвÑзи (требует {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "повернуть выделенные атомы (требует {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "повернуть вокруг Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"повернуть вокруг Z (горизонтальным движением мыши) или маÑштаб (вертикальным " -"движением мыши)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "выделить атом (требует {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "выделить и Ñ‚Ñнуть атомы (требует {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "ÑнÑÑ‚ÑŒ выделение Ñ Ñтой группы атомов (требует {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "ÑнÑÑ‚ÑŒ выделение (требует {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "добавить Ñту группу атомов к выделенным (требует {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "вкл/выкл выделение (требует {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"еÑли выделено вÑÑ‘, ÑнÑÑ‚ÑŒ выделение, в противном Ñлучае добавить Ñту группу " -"атомов к выделенным (требует {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "выбрать атом Ð´Ð»Ñ Ð½Ð°Ñ‡Ð°Ð»Ð° или Ð¾ÐºÐ¾Ð½Ñ‡Ð°Ð½Ð¸Ñ Ð¸Ð·Ð¼ÐµÑ€ÐµÐ½Ð¸Ð¹" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "наÑтроить Ñлой (переднÑÑ Ð¿Ð»Ð¾ÑкоÑÑ‚ÑŒ; требует {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "передвинуть Ñлой/окно глубины (обе плоÑкоÑти; требует {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "маÑштаб (по правому краю окна)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"нажмите на две точки чтобы повернуть вокруг оÑи против чаÑовой Ñтрелки " -"(требует {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"нажмите на две точки чтобы повернуть вокруг оÑи по чаÑовой Ñтрелке (требует " -"{0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "оÑтановить движение (требует {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" -"поворачивать модель (Ñдвиньте и отпуÑтите кнопку и оÑтановите движение " -"одновременно)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "перемеÑтить" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "маÑштаб" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "выберите еще один атом чтобы повернуть модель вокруг оÑи" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "выберите два атома чтобы повернуть модель вокруг оÑи" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "выберите еще один атом, чтобы отобразить отношение Ñимметрии" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "выберите два атома, чтобы отобразить отношение Ñимметрии между ними" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "отменено" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "{0} Ñохранен" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "УÑтановка файла журнала в {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Ðевозможно уÑтановить путь к файлу журнала." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} атомов Ñкрыто" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} атомов выбрано" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Перетащите Ð´Ð»Ñ Ð¿ÐµÑ€ÐµÐ¼ÐµÑ‰ÐµÐ½Ð¸Ñ Ð¼ÐµÑ‚ÐºÐ¸" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "буфер недоÑтупен — иÑпользуйте подпиÑанный апплет" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "добавлено {0} атомов водорода" - -#~ msgid "Hide Symmetry" -#~ msgstr "Скрыть Ñимметрию" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Загрузка апплета Jmol..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} Ñекунд" - -#~ msgid "Java version:" -#~ msgstr "ВерÑÐ¸Ñ Java:" - -#~ msgid "1 processor" -#~ msgstr "1 процеÑÑор" - -#~ msgid "unknown processor count" -#~ msgstr "неизвеÑтное чиÑло процеÑÑоров" - -#~ msgid "Java memory usage:" -#~ msgstr "ИÑпользрвание памÑти Java:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} МБ Ñвободно" - -#~ msgid "unknown maximum" -#~ msgstr "неизвеÑтный макÑимум" - -#~ msgid "Open file or URL" -#~ msgstr "Открыть файл или URL" diff --git a/qmpy/web/static/js/jsmol/idioma/sl.po b/qmpy/web/static/js/jsmol/idioma/sl.po deleted file mode 100644 index 22a47251..00000000 --- a/qmpy/web/static/js/jsmol/idioma/sl.po +++ /dev/null @@ -1,2599 +0,0 @@ -# Slovenian translation for jmol -# Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2008. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Domen \n" -"Language-Team: Slovenian \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Element?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Skriptna konzola Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Zapri" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&PomoÄ" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Iskanje ..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Ukazi" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "MatematiÄne &funkcije" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Nastavi ¶metre" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&VeÄ" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Urejevalnik" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Stanje" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Zaženi" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "PoÄisti izhod" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "PoÄisti vnos" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Zgodovina" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Naloži" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Urejevalnik skriptov Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konzola" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Odpri" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Spredaj" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Skript" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Preveri" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Vrh" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Korak" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Premor" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Nadaljuj" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "PoÄisti" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Zapri" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Datoteka ali URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Vrsta slike" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "Kakovost JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "Stiskanje PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "Kakovost PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Da" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Ne" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Želite prepisati datoteko {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Opozorilo" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Vse datoteke" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "PrekliÄi" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Prekini pogovorno okno izbirnika datoteke" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Podrobnosti" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Mapa" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Odpri izbrano mapo" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Lastnosti" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Spremenjeno" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Ime" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Ime datoteke:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Velikost" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Datoteke vrste:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Vrsta" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "PomoÄ" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Domov" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Seznam" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Poglej v:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Napaka pri ustvarjanju nove mape" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Nova mapa" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Ustvari novo mapo" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Odpri izbrano datoteko" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Shrani" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Shrani izbrano datoteko" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Shrani v:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Posodobi" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Gor" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Eno raven navzgor" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "V redu" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Predogled" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "ArabÅ¡Äina" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "KatalonÅ¡Äina" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "ÄŒeÅ¡Äina" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "DanÅ¡Äina" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "NemÅ¡Äina" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "GrÅ¡Äina" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Britanska angleÅ¡Äina" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "AmeriÅ¡ka angleÅ¡Äina" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Å panÅ¡Äina" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "EstonÅ¡Äina" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "FinÅ¡Äina" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "FrancoÅ¡Äina" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "HrvaÅ¡Äina" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "MadžarÅ¡Äina" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "IndonezijÅ¡Äina" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "ItalijanÅ¡Äina" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "JaponÅ¡Äina" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "KorejÅ¡Äina" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "NizozemÅ¡Äina" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "PoljÅ¡Äina" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "PortugalÅ¡Äina" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Brazilska portugalÅ¡Äina" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "RuÅ¡Äina" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "SlovenÅ¡Äina" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Å vedÅ¡Äina" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "TurÅ¡Äina" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "UkrajinÅ¡Äina" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Poenostavljena kitajÅ¡Äina" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Tradicionalna kitajÅ¡Äina" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Izbran ni noben atom -- niÄesar ni za narediti!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomi bodo minimirani." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "novo" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "razveljavi (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "uveljavi (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "dodaj vodike" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimiraj" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "poÄisti" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "shrani datoteko" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "shrani stanje" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "obrni stereokemijo obroÄa" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "izbriÅ¡i atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "povleci na vez" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "povleci atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "povleci atom (in minimiraj)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "poveÄaj naboj" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "zmanjÅ¡aj naboj" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "izbriÅ¡i vez" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "enojna" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "dvojna" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "trojna" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "zavrti vez (SHIFT-VLEÄŒENJE)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "zapusti naÄin modeliranja" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Brez" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Vsi" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} procesorjev" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB skupno" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB najveÄ" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Skriptna konzola Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "PriroÄnik miÅ¡ke" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Prevodi" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Sistem" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Element" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Jezik" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Molekulske orbitale ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Simetrija" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Informacije o modelu" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Izberi ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Vseh {0} modelov" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Zbirka {0} modelov" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atomi: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "vezi: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "skupine: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "verige: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polimeri: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Poglej {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Glavni meni" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolekule" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolekula {0} ({1} atomov)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "naloži biomolekulo {0} ({1} atomov)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Brez" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Prikaži samo izbrane" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Obrni izbor" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Pogled" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Spredaj" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Levo" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Desno" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Spodaj" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Zadaj" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -msgid "Axis x" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -msgid "Axis y" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -msgid "Axis z" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -msgid "Axis a" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -msgid "Axis b" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -msgid "Axis c" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Beljakovina" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Stranske verige" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nukleinsko" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Baze" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "Pari AT" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "Pari GC" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "Pari AU" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Ogljikov hidrat" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Noben od zgornjih" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Slog" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Shema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomi" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "IzkljuÄeno" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0} % van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Vezi" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "VkljuÄeno" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Vodikove vezi" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "IzraÄunaj" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Disulfidne vezi" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Zgradbe" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektorji" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} slikovnih pik" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "RdeÄa+cian oÄala" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "RdeÄa+modra oÄala" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "RdeÄa+zelena oÄala" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Oznake" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "S simbolom elementa" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Z imenom atoma" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "S Å¡tevilom atoma" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "zapusti naÄin modeliranja" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Skriptna konzola Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Odpri izbrano datoteko" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Odpri" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Napaka datoteke:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" - -#~ msgid "Hide Symmetry" -#~ msgstr "Skrij simetrijo" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Nalaganje programÄka Jmol ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} sekund" - -#~ msgid "Java version:" -#~ msgstr "RazliÄica Jave:" - -#~ msgid "1 processor" -#~ msgstr "1 procesor" - -#~ msgid "unknown processor count" -#~ msgstr "neznano Å¡tevilo procesorjev" - -#~ msgid "Java memory usage:" -#~ msgstr "Uporaba spomina Jave:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB prosto" - -#~ msgid "unknown maximum" -#~ msgstr "neznan maksimum" diff --git a/qmpy/web/static/js/jsmol/idioma/sv.po b/qmpy/web/static/js/jsmol/idioma/sv.po deleted file mode 100644 index 7ec8c8ed..00000000 --- a/qmpy/web/static/js/jsmol/idioma/sv.po +++ /dev/null @@ -1,2637 +0,0 @@ -# Swedish translation for jmol -# Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2008. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 23:46+0000\n" -"Last-Translator: Nicolas Vervelle \n" -"Language-Team: Swedish \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Grundämne?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol skriptkonsol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Arkiv" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Stäng" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Hjälp" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Sök..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Kommandon" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Matte &Funktioner" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Bestäm &Parametrar" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Mer" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Redigerare" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "TillstÃ¥nd" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Kör" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Rensa utmatning" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Rensa inmatning" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Historik" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Ladda" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"tryck CTRL-ENTER för en ny rad eller klistra in modelldata och tryck pÃ¥ Ladda" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Meddelanden kommer att synas här. Skriv in kommandon i rutan nedan. Klicka " -"pÃ¥ konsolens Hjälpmeny för on-linehjälp, den kommer att visas i ett nytt " -"fönster." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol Skriptredigerare" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konsol" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Öppna" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "FramifrÃ¥n" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Skript" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Kontrollera" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Överst" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Stega" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Paus" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Fortsätt" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Stopp" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Rensa" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Stäng" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Fil eller URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Bildtyp" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG-kvalitet ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG-komprimering ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG-kvalitet ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Ja" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Nej" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Vill du skriva över filen {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Varning" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Alla filer" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Avbryt" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Avbryt filväljardialog" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Detaljer" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Mapp" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Öppna vald mapp" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Attribut" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Ändrad" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Ospecificerad fil" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Namn" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Filnamn:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Storlek" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Filer av typen:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Typ" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Hjälp" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Filväljarhjälp" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Hem" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Lista" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Titta i:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Fel vid skapandet av ny mapp" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Ny mapp" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Skapa ny mapp" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Öppna vald fil" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Spara" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Spara vald fil" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Spara i:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Uppdatera" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Uppdatera kataloglistan" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Upp" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Upp en nivÃ¥" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "OK" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Förhandsgranska" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Lägg till modeller" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"NOTERA: Backbone-amiders vätepositioner finns men ignoreras. Deras " -"positioner approximeras, som i standard DSSP-analys.\n" -"Använd {0} för att inte utnyttja denna approximation.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"NOTERA: Backbone-amiders vätepositioner finns och kommer att användas. " -"Resultaet kan skilja signifikant frÃ¥n standard DSSP-analys.\n" -"Använd {0} för att ignorera dessa vätepositioner.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arabiska" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "Asturiska" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "Bosniska" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Katalanska" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Tjeckiska" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Danska" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Tyska" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Grekisk" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "Australiensisk engelska" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Brittisk engelska" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Amerikansk engelska" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Spanska" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estniska" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Finska" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Färöiska" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Franska" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Frisiska" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "Galiciska" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Kroatiska" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Ungerska" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "Armenska" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Indonesiska" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Italienska" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japanska" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Javanesiska" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Koreanska" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "Malaysiska" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norska (BokmÃ¥l)" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Holländska" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitanska" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Polska" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portugisiska" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Brasiliansk portugisiska" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Ryska" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Slovenska" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "Serbiska" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Svenska" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamilska" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Telugu" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Turkiska" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "Uiguriska" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukrainska" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Kinesiska (förenklad)" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Kinesiska (Traditionell)" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Hittar inte class för kraftfält {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Inga atomer valda -- inget att göra!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomer kommer att bli minimerade" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "kan inte ställa in kraftfält {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "nytt" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "Ã¥ngra (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "gör om (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "centrera" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "lägg till väte" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "minimera" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "ordna väte och minimera" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "rensa" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "spara fil" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "spara tillstÃ¥nd" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "invertera ringstereokemi" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "radera atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "dra till bindning" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "dra atom" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "dra atom (och minimera)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "dra och minimera molekyl (docka)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "öka laddning" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "minska laddning" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "radera bindning" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "enkel" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "dubbel" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "trippel" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "öka ordning" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "minska ordning" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "rotera bindning (SHIFT-DRA)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "avsluta modelkit mode" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Rymdgrupp" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Ingen" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Alla" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} processorer" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "{0} MB totalt" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "{0} MB maximalt" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol skriptkonsol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Musmanual" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Översättningar" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "System" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Inga atomer hämtade" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Konfigurationer" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Grundämne" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Modell/Ram" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "SprÃ¥k" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Efter rest-namn" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "Efter HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Molekylorbitaler ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Symmetri" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Modellinformation" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Välj ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Alla {0} modeller" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Konfigurationer ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Samling av {0} modeller" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atomer: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "bindningar: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "grupper: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "kedjor: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polymerer: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "modell {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Vy {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Huvudmeny" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biomolekyler" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biomolekyl {0} ({1} atomer)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "hämta biomolekyl {0} ({1} atomer)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Ingen" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Visa enbart valda" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Omvänd markering" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Vy" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "FramifrÃ¥n" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Vänster" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Höger" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "UppifrÃ¥n" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "UnderifrÃ¥n" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Tillbaka" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Axlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Axlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Axlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Axlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Axlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Axlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Protein" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Backbone" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Sidokedjor" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Polära enheter" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Opoära enheter" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Basiska enheter" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Sura enheter" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "Oladdade enheter" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nucleär" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Baser" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT-par" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC-par" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU-par" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Sekundär struktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Alla PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Enbart lösningsmedel" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Enbart vatten" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Icke vattenhaltigt lösningsmedel" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "Icke vattenhaltigt HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Kolhydrat" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Inget av ovanstÃ¥ende" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Visa" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Schema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK Spacefill" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Kula och pinne" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Pinnar" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "TrÃ¥dmodell" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Avbild" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "SpÃ¥ra" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Av" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Bindningar" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "PÃ¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Vätebindningar" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Beräkna" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Bestäm vätebindningars sidokedjor" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Bestäm vätebindningar i grundstruktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Disulfidbindningar" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Bestäm SS-bindningars sidokedja" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Bestäm SS-bindningar i grundstruktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Strukturer" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "Vibration" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektorer" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Spectrum" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} pixlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Skala {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "3D-vy" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Röd+Cyan glas" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Röd+BlÃ¥ glas" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Röd+Gröna glas" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Etiketter" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Med grundämnessymbol" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Med atomnamn" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Med atomnummer" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Placera etikett pÃ¥ atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Centrerad" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Övre högra hörnet" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Nedre högra hörnet" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Övre vänstra hörnet" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Nedre vänstra hörnet" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Färg" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Efter schema" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Grundämne (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Alternativ placering" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molekyl" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Formell laddning" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Partiell laddning" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Temperatur (Relativ)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Temperatur (Fast)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Aminosyra" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Kedja" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Grupp" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Välskapad" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Ärva" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Svart" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Vit" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "CyanblÃ¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Röd" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Orange" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Gul" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Grön" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "BlÃ¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Indigo" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Violett" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Laxrosa" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Olivgrön" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Kastanjebrun" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "GrÃ¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Guldfärgad" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Gör opak" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Gör halvgenomskinlig" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Bakgrund" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Ytor" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Axlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Enhetscell" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Zooma" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Zooma in" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Zooma ut" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Rotera" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Animering" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Spela en gÃ¥ng" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Upprepa" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Spela upp" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Stopp" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Nästa ruta" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "FöregÃ¥ende ruta" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Spola tillbaka" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "BakÃ¥t" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Starta om" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Mätningar" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Dubbelklick börjar och avslutar alla mätningar" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Klicka för avständsmätning" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Klicka för vinkelmätning" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Klicka för torsionsmätning (dihedral)" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Klicka pÃ¥ tvÃ¥ atormer för att visa sekvens i konsolen" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Radera mätningar" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Lista mätningar" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Avständsenhet nanometer" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "AvstÃ¥ndsenhet Ã…ngström" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Avständsenhet picometer" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Centrera" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Identitet" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Etikett" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Välj atom" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Välj kedja" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Välj element" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "avsluta modelkit mode" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Välj grupp" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Välj molekyl" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Välj plats" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Visa symmetrioperation" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Visa" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol skriptkonsol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "FilinnehÃ¥ll" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Filhuvud" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Molekylorbital JVXL data" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Modell" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Orientering" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Rymdgrupp" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Aktuellt tillstÃ¥nd" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Arkiv" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Hämta igen" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Öppna frÃ¥n PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Öppna vald fil" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Öppna" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Hämta fullständig enhetscell" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Öppna skript" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Spara en kopia av {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Spara skript med status" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Spara skript med history" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "Exportera {0} bild" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Spara sllt som JMOL-fil (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Spara JVXL isosurface" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "Exportera {0} 3D-modell" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Beräkning" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Optimera struktur" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Modelluppsättning" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Extrahera MOL-data" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Dot-yta" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "van der Waals-yta" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Molekylyta" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Hämta igen {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Dölj" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Punktmarkerad" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Pixelbredd" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Visa väte" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Visa mÃ¥tt" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Perspektivdjup" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol-färger" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Om..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "script compiler ERROR: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "x y z-axlar förväntas" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} inte tillÃ¥tet när bakgrundsmodell visas" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "felaktigt antal argument" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Miller indices kan inte alla vara noll." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "felaktig [R,G,B]-färg" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "boolesk förväntas" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "boolesk eller tal förväntas" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "boolesk, tal, eller {0} förväntas" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "färg förväntas" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "en färg eller palettnamn (Jmol, Rasmol) krävs" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "Kommando förväntas" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} eller $namn eller (atomuttryck) krävs" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "ritobjekt inte definierat" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "oväntat end of script command" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "filnamn förväntas" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "otillräckliga argument" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "ogiltigt argument" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "ogiltig parameterordning" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "nyckelord förväntat" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "inga MO-koefficientdata tillgängliga" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "Ett MO-index frÃ¥n 1 till {0} krävs" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "inga MO bas/koefficientdata tillgängliga för denna bildruta" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "Inga MO occupancy data tillgängliga" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Endast en molekylorbital är tillgänglig i denna fil" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} kräver att endast en modell visas" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} kräver att endast en modell hämtas" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Inga data tillgängliga" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Inga partiella laddningar lästes frÃ¥n filen; Jmol behöver det för att " -"rendera MEP-data." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Ingen enhetscell" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "tal förväntas" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "tal mÃ¥ste vara ({0} eller {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "decimaltal utanför intervallet ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "objektnamn förväntat efter '$'" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"plan förväntat -- antingen tre punkter eller atomuttryck eller {0} or {1} or " -"{2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "egenskapsnamn förväntat" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "space group {0} hittades inte." - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "sträng inom citationstecken förväntad" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "sträng inom citationstecken eller identifierare förväntad" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "för mÃ¥nga rotationspunkter specifierade" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "för mÃ¥nga script-nivÃ¥er" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "okänd atomegenskap" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "okänd bindningsegenskap" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "okänt kommando" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "runtime okänt uttryck" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "okänt objekt" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "okänd {0} parameter i Jmol state script (set ändÃ¥)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "okänd VISA-parameter -- använd {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "skriva vad? {0} eller {1} \"filename\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "script-FEL: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atomer raderade" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} vätebindningar" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "fil {0} skapad" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "end of expression förväntat" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "identifier eller residue specification förväntad" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "ogiltig atomspecifikation" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "ogiltig kedjespecifikation" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "ogiltig modellspecifikation" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "END fattas för {0}" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "tal eller variabelnamn förväntas" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "rest-specificering (ALA, AL?, A*) förväntas" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} förväntas" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, fuzzy, java-format -msgid "{0} struts added" -msgstr "{0} väte tillagda" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} anslutningar raderade" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} nya bindningar; {1} modifierade" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Klicka för meny..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet version {0} {1}.\n" -"\n" -"Ett projekt inom OpenScience.\n" -"\n" -"Se http://www.jmol.org för mer information" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Filfel:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "inför/ny atom eller bindning (requires {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "popup föregÃ¥ende kontextmeny (klicka pÃ¥ Jmol frank)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "radera atom (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "radera bindning (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "justera djup (back plane; requires {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "flytta atom (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "flytta hela DRAW-objektet (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "flytta specifik DRAW-punkt (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "flytta etikett (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "flytta atom och minimera molekyl (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "flytta och minimera molekyl (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "flytta markerade atomer (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "dra atomer i z-riktning (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "simulera multi-touch med musen)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "navigationspunkt för förflyttning (kräver {0} och {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "välj en atom" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "förbind atomer (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "välj en ISOSURFACE-punkt (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "välj en etikett för för att byta mellan dold/visa (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"välj en atom för att inkludera den i en mätning (efter att ha startat en " -"mätning eller efter {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "välj en punkt eller atom att navigera till (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "välj en DRAW-punkt (för mätning) (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "popup fullständig kontextmeny" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "Ã¥terställ (vid klickning utaför modellen)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "rotera" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "rotera del kring bindning (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "rotera markerade atomer (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "rotera Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"rotera Z (horisontell förflyttning av musen) eller zooma (vertikal " -"förflyttning av musen)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "välj en atom (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "markera och dra atomer (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "avmarkera denna atomgrupp (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "välj NONE (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "lägg till denna atomgrupp till markerade atomer (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "omvänd markering (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"om alla är markerade, avmarkera alla, annars lägg till denna atomgrupp till " -"markerade atomer (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "välj en atom för att initiera eller avsluta en mätning" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "justera slab (front plane; requires {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "flytta slab/depth-fönster (both planes; requires {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "zooma (längs högra sidan av fönstret)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "klicka pÃ¥ tvÃ¥ punkter för att rotera runt axel moturs (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "klicka pÃ¥ tvÃ¥ punkter för att rotera runt axel medurs (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "stanna rörelse (kräver {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "rotera modell (svep och släpp knapp och stanna rörelsen samtidigt)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "förflytta" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "zooma" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "välj en atom till för att rotera modellen runt en axel" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "välj tvÃ¥ atomer för att rotera modellen runt en axel" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "välj en atom till för att visa symmetriförhÃ¥llande" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "välj tvÃ¥ atomer för att visa symmetriförhÃ¥llandet mellan dem" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Loggfil sätts till {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Kan inte etablera väg till loggfil" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} atomer dolda" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atomer markerade" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Drag för att flytta etikett" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "urklipp är inte tillgängligt - används den signerade appleten" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} väte tillagda" - -#~ msgid "Hide Symmetry" -#~ msgstr "Göm symmetri" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Hämtar Jmol applet..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} sekunder" - -#~ msgid "Java version:" -#~ msgstr "Java-version:" - -#~ msgid "1 processor" -#~ msgstr "1 processor" - -#~ msgid "unknown processor count" -#~ msgstr "okänt antal processorer" - -#~ msgid "Java memory usage:" -#~ msgstr "Java minnesanvändning:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB ledigt" - -#~ msgid "unknown maximum" -#~ msgstr "okänt maximum" - -#~ msgid "Open file or URL" -#~ msgstr "Öppna fil eller URL" diff --git a/qmpy/web/static/js/jsmol/idioma/ta.po b/qmpy/web/static/js/jsmol/idioma/ta.po deleted file mode 100644 index 807e6e6d..00000000 --- a/qmpy/web/static/js/jsmol/idioma/ta.po +++ /dev/null @@ -1,2578 +0,0 @@ -# Tamil translation for jmol -# Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2010. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Ramesh \n" -"Language-Team: Tamil \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "மூடà¯à®•" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&உதவி" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&தேடà¯à®•..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&கடà¯à®Ÿà®³à¯ˆà®•à®³à¯" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "கணிதம௠மறà¯à®±à¯à®®à¯ சாரà¯à®ªà¯à®•à®³à¯" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&மேலà¯à®®à¯" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "தொகà¯à®ªà¯à®ªà®¾à®³à®°à¯" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "நிலை" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "இயகà¯à®•à¯" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "வரலாறà¯" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "à®à®±à¯à®±à¯à®•" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "பணியகமà¯" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "திற" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "à®®à¯à®©à¯" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "சிறà¯à®¨à®¿à®°à®²à¯" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "சரிபாரà¯" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "படி" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "இடைநிறà¯à®¤à¯à®¤à¯" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "மீணà¯à®Ÿà¯à®®à¯ தà¯à®µà®•à¯à®•à¯" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "சà¯à®¤à¯à®¤à®®à¯ (Clear)" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "மூடà¯à®•" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "பிமà¯à®ªà®¤à¯à®¤à®¿à®©à¯ வகை" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG தரம௠({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG தரம௠({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "அனà¯à®®à®¤à®¿" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "மறà¯" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "எசà¯à®šà®°à®¿à®•à¯à®•à¯ˆ" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "அனைதà¯à®¤à¯ கோபà¯à®ªà¯à®•à®³à¯à®®à¯" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "ரதà¯à®¤à¯" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "விவரஙà¯à®•à®³à¯" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "அடைவà¯" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "தெரிவ௠செயà¯à®¤ அடிவைத௠திற" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "பணà¯à®ªà¯à®•à®³à¯" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "மாறà¯à®±à®ªà¯à®ªà®Ÿà¯à®Ÿ" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "பெயரà¯" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "கோபà¯à®ªà¯à®ªà¯ பெயரà¯:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "அளவà¯" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "வகை" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "உதவி" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "கோபà¯à®ªà¯à®¤à¯à®¤à¯†à®°à®¿à®µà®¿à®¯à®¿à®©à¯ உதவி" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "à®®à¯à®•à®ªà¯à®ªà¯" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "படà¯à®Ÿà®¿à®¯à®²à¯" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "இஙà¯à®•à¯ பாரà¯:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "பà¯à®¤à®¿à®¯ அடைவை உரà¯à®µà®¾à®•à¯à®•à¯à®µà®¤à®¿à®²à¯ பிழை" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "பà¯à®¤à®¿à®¯ அடைவà¯" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "பà¯à®¤à®¿à®¯ அடைவை உரà¯à®µà®¾à®•à¯à®•à¯" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "தேரà¯à®¨à¯à®¤à¯†à®Ÿà¯à®•à¯à®•à®ªà¯à®ªà®Ÿà¯à®Ÿ கோபà¯à®ªà®¿à®©à¯ˆ திற" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "சேமி" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "தெரிவ௠செயà¯à®¤ கோபà¯à®ªà¯ˆ சேமி" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "இதில௠சேமி:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "பà¯à®¤à¯à®ªà¯à®ªà®¿" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "அடைவà¯à®ªà¯ படà¯à®Ÿà®¿à®¯à®²à¯ˆ பà¯à®¤à¯à®ªà¯à®ªà®¿" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "மேலே" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "சரி" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "à®®à¯à®©à¯à®ªà®¾à®°à¯à®µà¯ˆ" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "அராபிகà¯" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "காடà¯à®Ÿà®²à®¾à®©à¯" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "செகà¯" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "டானிஷà¯" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "ஜெரà¯à®®à®©à¯" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "கிரேகà¯à®•à®®à¯" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "பிரிடà¯à®Ÿà®¿à®·à¯ ஆஙà¯à®•à®¿à®²à®®à¯" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "அமெரிகà¯à®• ஆஙà¯à®•à®¿à®²à®®à¯" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "ஸà¯à®ªà®¾à®©à®¿à®·à¯" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "எஸà¯à®Ÿà¯‹à®©à®¿à®¯à®©à¯" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "பிரெஞà¯à®šà¯" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "ஹஙà¯à®•à¯‡à®°à®¿à®¯à®©à¯" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "இநà¯à®¤à¯‹à®©à¯‡à®·à®¿à®¯à®©à¯" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "இதà¯à®¤à®¾à®²à®¿à®¯à®©à¯" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "ஜபà¯à®ªà®¾à®©à®¿à®¯" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "கொரியனà¯" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "நாரà¯à®µà¯‡à®œà®¿à®¯à®©à¯ பà¯à®•à¯à®®à®¾à®²à¯" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "ஆகà¯à®Ÿà®¿à®šà®¿à®¯à®©à¯" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "போலிஷà¯" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "போரà¯à®¤à¯à®¤à¯à®•à¯à®•à¯€à®šà®¿à®¯" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "பிரேஸிலிய போரà¯à®¤à¯à®¤à¯à®•à¯à®•à¯€à®šà®¿à®¯" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "à®°à®·à¯à®¯à®©à¯" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "ஸà¯à®²à¯‹à®µà¯‡à®©à®¿à®¯à®©à¯" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "சà¯à®µà¯€à®Ÿà®¿à®·à¯" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "தமிழà¯" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "தà¯à®°à¯à®•à¯à®•à®¿à®¯" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "உகà¯à®°à¯‡à®©à®¿à®¯à®©à¯" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "எளிய சைனீஸà¯" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "பாரமà¯à®ªà®°à®¿à®¯ சைனீஸà¯" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "எநà¯à®¤ அணà¯à®•à¯à®•à®³à¯à®®à¯ தெரிவ௠செயà¯à®¯à®ªà¯à®ªà®Ÿà®µà®¿à®²à¯à®²à¯ˆ -- செயà¯à®µà®¤à®±à¯à®•à¯ ஒனà¯à®±à¯à®®à®¿à®²à¯à®²à¯ˆ!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "எதà¯à®µà¯à®®à®¿à®²à¯à®²à¯ˆ" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "அனைதà¯à®¤à¯à®®à¯" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -msgid "Jmol Script Commands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "மொழிபெயரà¯à®ªà¯à®ªà¯à®•à®³à¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "அமைபà¯à®ªà¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "எநà¯à®¤ அணà¯à®•à¯à®•à®³à¯à®®à¯ à®à®±à¯à®±à®ªà¯à®ªà®Ÿà®µà®¿à®²à¯à®²à¯ˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "மூலகமà¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "மொழி" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "சமசà¯à®šà¯€à®°à¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "தெரிவ௠செய௠({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "அணà¯à®•à¯à®•à®³à¯: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "பிணைபà¯à®ªà¯à®•à®³à¯: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "கà¯à®´à¯à®•à¯à®•à®³à¯: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "சஙà¯à®•à®¿à®²à®¿à®•à®³à¯: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "பலà¯à®ªà®•à¯à®¤à®¿à®¯à®™à¯à®•à®³à¯: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "à®®à¯à®¤à®©à¯à®®à¯ˆ படà¯à®Ÿà®¿" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "உயிரியல௠மூலகà¯à®•à¯‚à®±à¯à®•à®³à¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "எதà¯à®µà¯à®®à®¿à®²à¯à®²à¯ˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "தெரிவ௠செயà¯à®¤à®¤à¯ˆ மடà¯à®Ÿà¯à®®à¯ காணà¯à®ªà®¿" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "தேரà¯à®µà¯ˆ தலைகீழாகà¯à®•à¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "பாரà¯à®µà¯ˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "à®®à¯à®©à¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "இடதà¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "வலதà¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "கீழà¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "பின௠செலà¯à®•" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -msgid "Axis x" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -msgid "Axis y" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -msgid "Axis z" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -msgid "Axis a" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -msgid "Axis b" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -msgid "Axis c" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "பà¯à®°à®¤à®®à¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "பகà¯à®• சஙà¯à®•à®¿à®²à®¿à®•à®³à¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT சோடிகளà¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC சோடிகளà¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU சோடிகளà¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "பலà¯à®²à®¿à®©" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "இணையி" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "காபோவைதரேறà¯à®±à¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "மேலà¯à®³à¯à®³à®µà®±à¯à®±à®¿à®²à¯ எதà¯à®µà®®à®©à¯à®±à¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "பாணி" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -msgid "JavaScript Console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "தேரà¯à®¨à¯à®¤à¯†à®Ÿà¯à®•à¯à®•à®ªà¯à®ªà®Ÿà¯à®Ÿ கோபà¯à®ªà®¿à®©à¯ˆ திற" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "திற" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "கோபà¯à®ªà¯ பிழை:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" - -#~ msgid "Hide Symmetry" -#~ msgstr "சமசà¯à®šà¯€à®°à¯ˆ மறை" - -#~ msgid " {0} seconds" -#~ msgstr " {0} நொடிகளà¯" - -#~ msgid "Java version:" -#~ msgstr "ஜாவா பதிபà¯à®ªà¯:" diff --git a/qmpy/web/static/js/jsmol/idioma/te.po b/qmpy/web/static/js/jsmol/idioma/te.po deleted file mode 100644 index 6d064e70..00000000 --- a/qmpy/web/static/js/jsmol/idioma/te.po +++ /dev/null @@ -1,2566 +0,0 @@ -# Telugu translation for jmol -# Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2011. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Praveen Illa \n" -"Language-Team: Telugu \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "మూసివేయి" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "సహాయం (&H)" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "వెతà±à°•à±...(&S)" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "ఆదేశాలౠ(&C)" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "కూరà±à°ªà°•à°®à±" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "నడà±à°ªà±" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "à°šà°°à°¿à°¤à±à°°" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:143 -msgid "Font" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "నిలిపివేయి" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "మూసివేయి" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "బొమà±à°® à°°à°•à°®à±" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "à°…à°µà±à°¨à±" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "కాదà±" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "హెచà±à°›à°°à°¿à°•" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "à°…à°¨à±à°¨à°¿ ఫైళà±à°³à±" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "à°°à°¦à±à°¦à±à°šà±‡à°¯à°¿" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "వివరాలà±" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "పేరà±" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "ఫైలౠపేరà±:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "పరిమాణం" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "à°°à°•à°®à±" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "సహాయం" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "నివాసం" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "కొతà±à°¤ సంచయం" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "కొతà±à°¤ సంచయానà±à°¨à°¿ సృషà±à°Ÿà°¿à°‚à°šà±" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "à°Žà°‚à°šà±à°•à±à°¨à±à°¨ ఫైలౠతెరà±à°µà±" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "à°­à°¦à±à°°à°ªà°°à°šà±" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "నవీకరించà±" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "సరే" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "à°®à±à°¨à±à°œà±‚à°ªà±" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "అరబికà±" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "బోసà±à°¨à°¿à°¯à°¨à±" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "కాటలానà±" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "చెకà±" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "డానిషà±" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "జరà±à°®à°¨à±" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "à°—à±à°°à±€à°•à±" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "à°¸à±à°ªà°¾à°¨à°¿à°·à±" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "à°«à±à°°à±†à°‚à°šà±" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "à°•à±à°°à±‹à°Ÿà°¿à°¯à°¨à±" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -msgid "none" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -msgid "Jmol Script Commands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -msgid "Axis x" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -msgid "Axis y" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -msgid "Axis z" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -msgid "Axis a" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -msgid "Axis b" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -msgid "Axis c" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -msgid "JavaScript Console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "à°Žà°‚à°šà±à°•à±à°¨à±à°¨ ఫైలౠతెరà±à°µà±" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -msgid "Open URL" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" diff --git a/qmpy/web/static/js/jsmol/idioma/tr.po b/qmpy/web/static/js/jsmol/idioma/tr.po deleted file mode 100644 index bd3173d0..00000000 --- a/qmpy/web/static/js/jsmol/idioma/tr.po +++ /dev/null @@ -1,2626 +0,0 @@ -# translation of JmolApplet-tr.po to Turkish. -# Copyright (C) 1998-2011 The Jmol Development Team -# This file is distributed under the same license as the JmolApplet package. -# Muhammet Kara , 2006, 2011. -# -msgid "" -msgstr "" -"Project-Id-Version: JmolApplet\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Muhammet Kara \n" -"Language-Team: Turkish \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" -"X-Poedit-Language: Turkish\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Element mi?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol Betik Uçbirimi" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Dosya" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Kapat" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Yardım" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Ara..." - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Komutlar" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Matematiksel &Fonksiyonlar" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "&Parametreleri Ayarla" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Daha Fazla" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Düzenleyici" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Durum" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "Çalıştır" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Çıktıyı Temizle" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Girdiyi Temizle" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "GeçmiÅŸ" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Yükle" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"yeni satır için CTRL-ENTER'a basın veya model verisini yapıştırın ve " -"Yükle'ye basın" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Mesajlar burada görünecek. Komutları aÅŸağıdaki kutuya girin. Yeni bir " -"tarayıcı penceresinde görüntülenecek olan çevrimiçi yardım için Uçbirim " -"Yardım menüsüne tıklayın." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol Betik Düzenleyicisi" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "Konsol" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Aç" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Ön" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Betik" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Denetle" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Yukarı" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Adım" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Duraklat" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Sürdür" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Durdur" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Temizle" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Kapat" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Dosya veya URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Görüntü Türü" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG Kalitesi ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG Sıkıştırması ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG Kalitesi ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Evet" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "Hayır" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "{0} dosyasının üzerine yazılsın mı?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Uyarı" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "Tüm Dosyalar" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "Ä°ptal" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Dosya seçici penceresini kapat" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Ayrıntılar" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Dizin" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Seçili dizini aç" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Nitelikler" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "DeÄŸiÅŸtirildi" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Genel Dosya" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Adı" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Dosya Adı:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Boyut" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Tür Dosyaları:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Tür" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Yardım" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "DosyaSeçici yardımı" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Anasayfa" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "Liste" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Bak:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Yeni klasör oluÅŸturma hatası" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Yeni Klasör" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Yeni Klasör OluÅŸtur" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Seçilen dosyayı aç" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Kaydet" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Seçilen dosyayı kaydet" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "İçine Kaydet:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Güncelle" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Dizin listelemesini güncelle" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Yukarı" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Bir Seviye Yukarı" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "TAMAM" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "Önizleme" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Modelleri BirleÅŸtir" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "Arapça" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "Katalanca" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "Çekçe" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "Danca" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Almanca" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Yunanca" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "Ä°ngiliz Ä°ngilizcesi" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "Amerikan Ä°ngilizcesi" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "Ä°spanyolca" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "Estonyaca" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "Fince" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "Faroese" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Fransızca" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "Hırvatça" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "Macarca" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "Endonezce" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "Ä°talyanca" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "Japonca" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "Cavaca" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "Korece" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Norveç Bokmal" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "Flemenkçe" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "Occitan" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "Lehçe" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "Portekizce" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "Brezilya Portekizcesi" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "Rusça" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "Slovence" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "Ä°sveçce" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "Tamil" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Türkçe" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "Ukraynaca" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "BasitleÅŸtirilmiÅŸ Çince" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Geleneksel Çince" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Güç alanı sınıfı alınamadı {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Herhangi bir atom seçili deÄŸil -- yapacak bir ÅŸey yok!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} atomlar küçültülecek." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "Güç alanını ayarlanamadı {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "yeni" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "geri al (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "yinele (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "merkez" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "hidrojen ekle" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "küçült" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "hidrojenleri sabitle ve küçült" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "temizle" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "kayıt dosyası" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "kayıt durumu" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "halka stereokimyasını ters çevir" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "atomu sil" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "baÄŸa sürükle" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "atom sürükle" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "atomu sürükle (ve küçült)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "yükü artır" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "yükü azalt" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "bağı sil" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "tek" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "çift" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "üçlü" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "dereceyi artır" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "dereceyi azalt" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "modelkit modundan çık" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "Uzay Grubu" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Hiçbiri" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Tümü" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} iÅŸlemci" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "Toplam {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "En yüksek {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol Betik Uçbirimi" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Fare Elle" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Çeviriler" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "Sistem" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Hiç atom yüklenmedi" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "Yapılandırmalar" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Element" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Model/Yapı" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Dil" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "Artık Adına Göre" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "HETATM' e Göre" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "Moleküler Orbitaller ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "Simetri" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "Model bilgisi" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Seç ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Tüm {0} modeller" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "Yapılandırmalar ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "{0} modellik koleksiyon" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "atomlar: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "baÄŸlar: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "gruplar: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "zincirler: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "polimerler: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "model {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "Görünüm {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Ana Menü" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Biyomoleküller" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "biyomolekül {0} ({1} atom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "biyomolekülü yükle {0} ({1} atom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Hiçbiri" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Sadece Seçileni Göster" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Seçimi Tersine Çevir" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "Görünüm" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Ön" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Sol" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "SaÄŸ" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Alt" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Geri" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "Eksenler" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "Eksenler" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "Eksenler" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "Eksenler" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "Eksenler" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "Eksenler" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Protein" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "Omurga" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Yan Zincirler" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "Polar Artıklar" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "Apolar Artıklar" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Temel Artıklar (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "Asidik Artıklar (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "YüklenmemiÅŸ Artıklar" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Nükleik" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Bazlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT çiftleri" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC çiftleri" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU çiftleri" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Ä°kincil Yapı" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Hetero" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Tüm PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Tümü Çözücü" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Tümü Su" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Su İçermeyen Çözücü" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "Su İçermeyen HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ligand" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Karbonhidrat" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Yukarıdakilerin hiçbiri" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Stil" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Åžema" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK BoÅŸlukdoldurma" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Küre ve Çubuk" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Çubuklar" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "Telkafes" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Çizgi Film" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "Kordon" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Atomlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Kapalı" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% van der Waals" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "BaÄŸlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Açık" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Hidrojen BaÄŸları" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "Hesapla" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "H-BaÄŸları Yan Zincirini Ayarla" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "H-BaÄŸları Omurgasını Ayarla" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "Disülfür BaÄŸları" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "SS-BaÄŸları Yan Zincirini Ayarla" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "SS-BaÄŸları Omurgasını Ayarla" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Yapılar" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Çizgi Film Roketleri" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Åžeritler" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Roketler" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Lifler" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "TitreÅŸim" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Vektörler" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} piksel" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "Ölçü {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Stereografik" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Kırmızı+CamgöbeÄŸi camlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Kırmızı+Mavi camlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Kırmızı+YeÅŸil camlar" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "Åžaşı görünüş" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "Akçıl gözbebeÄŸi görünüşü" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Etiketler" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "Element Sembolüyle Birlikte" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "Atom Adıyla Birlikte" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "Atom Numarası ile Birlikte" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Atomdaki Konum Etiketi" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "Ortalı" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Yukarı SaÄŸ" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "AÅŸağı SaÄŸ" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Yukarı Sol" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "AÅŸağı Sol" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Renk" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "Åžemaya Göre" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Element (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Alternatif Konum" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Molekül" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Formülsel Yük" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "Kısmi Yük" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Sıcaklık (Görece)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Sıcaklık (Sabit)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "Amino Asit" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Zincir" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Grup" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Monomer" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "Güzel biçimli" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "Miras" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Siyah" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Beyaz" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "CamgöbeÄŸi" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Kırmızı" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "Turuncu" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Sarı" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "YeÅŸil" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Mavi" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Çivit Rengi" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "MenekÅŸe Moru" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Sarımsı pembe" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Zeytin YeÅŸili" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Kestane Rengi" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Gri" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "KurÅŸun Mavisi" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Altın" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "Orkide" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Donuk Yap" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Yarı Geçirgen Yap" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Arkaplan" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Yüzeyler" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "Eksenler" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "BaÄŸlıkutu" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Birim hücre" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "Zum" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "YaklaÅŸ" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "UzaklaÅŸ" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "Dönüş" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "X Hızını Ayarla" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Y Hızını Ayarla" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Z Hızını Ayarla" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "FPS'i Ayarla" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "Canlandırma" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Canlandırma Modu" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Bir Kere Oynat" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Palindrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Döngü" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "Oynat" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Durdur" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "Sonraki Kare" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Önceki Kare" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Geri Sar" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "Ters Çevir" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "Yeniden BaÅŸlat" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "Ölçüler" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Çift tıklama tüm ölçümleri baÅŸlatır ve bitirir" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "Mesafe ölçümü için tıklayın" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "Açı ölçümü için tıklayın" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Bükülme(iki düzlemli) ölçümü için tıklayın" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Uçbirimde bir dizilim görüntülemek için iki atoma tıklayın" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Ölçümleri sil" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "Ölçümleri listele" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Uzaklık birimleri nanometre" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Uzaklık birimleri Angstrom" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Uzaklık birimleri pikometre" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Seçimi Ayarla" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "Merkez" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Kimlik" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Etiket" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Atomu seç" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Zinciri seç" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Elementi seç" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "modelkit modundan çık" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Grubu seç" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Molekülü seç" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Yeri seç" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Simetri iÅŸlemini göster" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Göster" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol Betik Uçbirimi" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "Dosya İçeriÄŸi" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Dosya BaÅŸlığı" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "EÅŸyüzey JVXL verisi" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Moleküler orbital JVXL verisi" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Model" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "Yönlendirme" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "Uzay grubu" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Mevcut durum" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Dosya" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Tekrar Yükle" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "PDB'den aç" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Seçilen dosyayı aç" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Aç" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Tam birim hüce yükle" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Betik aç" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "{0} ın bir kopyasını kaydet" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "BetiÄŸi durum ile kaydet" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "BetiÄŸi geçmiÅŸ ile kaydet" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "{0} resim dışa aktar" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Tümünü JMOL dosyası (zip) olarak kaydet" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "JVXL eÅŸyüzeyini kaydet" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "{0} 3B model dışa aktar" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "Hesaplama" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Ä°yileÅŸtirilmiÅŸ yapı" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "Model kiti" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "MOL verisini çıkart" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Nokta Yüzey" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "van der Waals Yüzeyi" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "Moleküler Yüzey" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "Çözücü Yüzeyi ({0}-Angstrom araÅŸtırması)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "Çözücü- Girilebilir Yüzey (VDW + {0} Angstrom)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Tekrar Yükle {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "{0} + Ektan {1} i Yeniden Yükle" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Yenidenyükle + Çokyüzlü" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Gizle" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Noktalanmış" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Piksel GeniÅŸliÄŸi" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} px" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Angstrom GeniÅŸliÄŸi" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Seçme Işık Halkaları" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Hidrojenleri Göster" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Ölçümleri Göster" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Perspektif DerinliÄŸi" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol Renkleri" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Hakkında..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "betik derteyici HATASI: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "x y z eksenleri bekleniyor" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0} arkaplan model gösterimiyle birlikte izin verilmez" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "Yanlış bağımsız deÄŸiÅŸken hesabı" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "Miller dizinlerinin hepsi sıfır olamaz." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "hatalı [R,G,B] rengi" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "boolean bekleniyor" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "boole veya sayı gerekli" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "boole, sayı, veya {0} gerekli" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "renk gerekli" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "bir renk ya da palet adı (Jmol,Rasmol) gerekli" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "komut bekleniyor" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "{x y z} veya $name veya (atom ifadesi) gerekiyor" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "çizim nesnesi tanımlanmamış" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "beklenmeyen komut satırı sonu komutu" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "geçerli (atom ifadesi) gerekli" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "(atom ifadesi) veya tam sayı gerekli" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "dosyaadı gerekli" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "dosya bulunamadı" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "uyumsuz bağımsız deÄŸiÅŸkenler" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "yetersiz bağımsız deÄŸiÅŸken" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "tamsayı gerekli" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "alan dışı tamsayı ({0} - {1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "geçersiz bağımsız deÄŸiÅŸken" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "geçersiz parametre dizisi" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "anahtar sözcük gerekli" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "Kullanılabilir MO katsayı verisi yok" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "1 den {0} 'a bir MO dizini gerekli" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "Bu çerçeve için kullanılabilir MO taban/katsayı verisi yok" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "Kullanılabilir MO iÅŸgal verisi yok" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "Bu dosyada sadece bir kullanılabilir moleküler orbital var" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} sadece bir modelin gösterilmesine ihtiyaç duyuyor" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Kullanılabilir veri yok" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Dosyadan hiç kısmi yük okunmadı; Jmol MEP verisini iÅŸlemek için bunlara " -"ihtiyaç duyuyor." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Birim hücre yok" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "sayı gerekli" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "sayı ({0} veya {1}) olmalı" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "alan dışı ondalık sayı ({0} - {1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "'$' 'dan sonra nesne adı gerekli" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"düzlem bekleniyor -- ya üç nokta ya atom ifadeleri ya da {0} veya {1} veya " -"{2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "özellik adı gerekli" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "Uzay grubu {0} bulunamadı." - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "Tırnak içindeki karakter dizgisi gerekli" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "tırnak içindeki karakter dizgisi veya tanımlayıcı gerekli" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "çok fazla dönme noktası belirtilmiÅŸ" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "çok fazla betik düzeyi" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "tanınmayan atom özelliÄŸi" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "tanınmayan baÄŸ özelliÄŸi" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "tanınmayan komut" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "tanınmayan çalışma zamanı deyimi" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "tanınmayan nesne" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "tanınmayan {0} parametre" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" -"Jmol durum betiÄŸinde bilinmeyen {0} parametre (ne olursa olsun ayarlandı)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "tanınmayan GÖSTER parametresi -- {0} kullanın" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "neyi yaz? {0} ya da {1} \"dosyaadı\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "betik HATASI: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "{0} atom silindi" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} hidrojen baÄŸ(lar)ı" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "{0} dosyası oluÅŸturuldu" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "{0} için geçersiz içerik" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "{ number number number } gerekli" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "ifade sonu bekleniyor" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "tanımlayıcı ya da artık belirtimi bekleniyor" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "geçersiz atom belirtimi" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "geçersiz zincir belirtimi" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "geçersiz ifade belirtkesi: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "geçersiz model belirtimi" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "{0} için END bulunamıyor" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "sayı ya da deÄŸiÅŸken adı bekleniyor" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "artık belirtimi (ALA, AL?, A*) bekleniyor" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "{0} bekleniyor" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "{0} beklenmiyor" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "tanınmayan ifade belirtkesi: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "tanınmayan belirtke: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, fuzzy, java-format -msgid "{0} struts added" -msgstr "{0} hidrojen eklendi" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "{0} baÄŸlantı(lar) silindi" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} yeni baÄŸ; {1} düzenlenmiÅŸ" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Menü için tıklayın..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet sürümü {0} {1}.\n" -"\n" -"Bir OpenScience projesi.\n" -"\n" -"Daha fazla bilgi için http://www.jmol.org 'u ziyaret ediniz" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Dosya Hatası:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "yeni atom ya da baÄŸ ata ({0} gerekir)" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "atom sil ({0} gerekir)" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "baÄŸ sil ({0} gerekir)" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "atomu taşı ({0} gerektirir)" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "etiketi taşı ({0} gerektirir)" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "seçili atomları hareket ettir ({0} gerektirir)" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "bir atom seç" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "atomları birleÅŸtir ({0} gerektirir)" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "döndür" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "seçili atomları döndür ({0} gerektirir)" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "bir atom seç ({0} gerektirir)" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "atomları seç ve sürükle ({0} gerektirir)" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "HİÇBÄ°RÄ°NÄ° seçme ({0} gerektirir)" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "seçimi deÄŸiÅŸtir ({0} gerektirir)" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "yaklaÅŸ (pencerenin saÄŸ kenarı boyunca)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "hareketi durdur ({0} gerektirir)" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "dönüştür" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "yaklaÅŸ" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "modeli bir eksen etrafında döndürebilmek için bir tane daha atom seçin" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "modeli bir eksen etrafında döndürebilmek için iki atom seçin" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Günlük dosyası {0} olarak ayarlanıyor" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Günlük dosyası yolu ayarlanamıyor." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} atomlar gizli" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} atom(lar) seçildi" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "Etiketi taşımak için sürükleyin" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "panoya eriÅŸilemiyor -- iÅŸaretli uygulamacığı kullanın" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} hidrojen eklendi" - -#~ msgid "Hide Symmetry" -#~ msgstr "Simetriyi Gizle" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Jmol küçük uygulaması yükleniyor ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} saniye" - -#~ msgid "Java version:" -#~ msgstr "Java sürümü:" - -#~ msgid "1 processor" -#~ msgstr "1 iÅŸlemci" - -#~ msgid "unknown processor count" -#~ msgstr "bilinmeyen iÅŸlemci sayısı" - -#~ msgid "Java memory usage:" -#~ msgstr "Java hafıza kullanımı:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB boÅŸ" - -#~ msgid "unknown maximum" -#~ msgstr "bilinmeyen maksimum" - -#~ msgid "Open file or URL" -#~ msgstr "Dosya veya URL aç" diff --git a/qmpy/web/static/js/jsmol/idioma/ug.po b/qmpy/web/static/js/jsmol/idioma/ug.po deleted file mode 100644 index 06e01a50..00000000 --- a/qmpy/web/static/js/jsmol/idioma/ug.po +++ /dev/null @@ -1,2564 +0,0 @@ -# Uyghur translation for jmol -# Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2011. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Gheyret T.Kenji \n" -"Language-Team: Uyghur \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -msgid "&File" -msgstr "" - -#: org/jmol/console/GenericConsole.java:92 -msgid "&Close" -msgstr "" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "ياردەم(&H)" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "بۇيرۇقلار(&C)" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "تÛخىمۇ ÙƒÛ†Ù¾(&M)" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:143 -msgid "Font" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:770 -msgid "none" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -msgid "Jmol Script Commands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -msgid "Axis x" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -msgid "Axis y" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -msgid "Axis z" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -msgid "Axis a" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -msgid "Axis b" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -msgid "Axis c" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "modelKitMode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -msgid "JavaScript Console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -msgid "Open local file" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -msgid "Open URL" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Save as PNG/JMOL (image+zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "" diff --git a/qmpy/web/static/js/jsmol/idioma/uk.po b/qmpy/web/static/js/jsmol/idioma/uk.po deleted file mode 100644 index 5a974327..00000000 --- a/qmpy/web/static/js/jsmol/idioma/uk.po +++ /dev/null @@ -1,2656 +0,0 @@ -# Ukrainian translation for jmol -# Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 -# This file is distributed under the same license as the jmol package. -# -# Yuri Chornoivan , 2010. -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-10-09 20:00+0000\n" -"Last-Translator: Yuri Chornoivan \n" -"Language-Team: Ukrainian \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "Елемент?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Скриптова конÑоль Jmol" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "Файл" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "Закрити" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "&Довідка" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "&Знайти…" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "&Команди" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "Математичні &функції" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "Вк&азати параметри" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "&Додатково" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "Редактор" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "Стан" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "ЗапуÑтити" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "Спорожнити поле виводу" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "Спорожнити поле вводу" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "Журнал" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "Завантажити" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"натиÑніть CTRL-ENTER, щоб почати Ð²Ð²ÐµÐ´ÐµÐ½Ð½Ñ Ð½Ð¾Ð²Ð¾Ð³Ð¾ Ñ€Ñдка, або вÑтавте дані " -"моделі Ñ– натиÑніть кнопку «Завантажити»" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"Тут буде наведено повідомленнÑ. Команди Ñлід вводити у поле, розташоване " -"нижче. Щоб отримати довідку, ÑкориÑтайтеÑÑ Ð¿ÑƒÐ½ÐºÑ‚Ð¾Ð¼ «Довідка» меню конÑолі: " -"довідку буде відкрито у новому вікні переглÑдача інтернету." - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Редактор Ñкриптів Jmol" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "КонÑоль" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "Відкрити" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "Спереду" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "Скрипт" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "Перевірити" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "Вгору" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "Крок" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "Пауза" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "Поновити" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "Перервати" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "Спорожнити" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "Закрити" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "Файл або URL:" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "Тип зображеннÑ" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "ЯкіÑÑ‚ÑŒ JPEG ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "СтиÑÐºÐ°Ð½Ð½Ñ PNG ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "ЯкіÑÑ‚ÑŒ PNG ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "Так" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "ÐÑ–" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "Ви бажаєте перезапиÑати файл {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "Увага" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "УÑÑ– файли" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "СкаÑувати" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "Закрити діалогове вікно вибору файла" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "Подробиці" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "Каталог" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "Відкрити позначений каталог" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "Ðтрибути" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "Змінено" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "Звичайний файл" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "Ðазва" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "Ðазва файла:" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "Розмір" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "Файли типу:" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "Тип" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "Довідка" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "Довідка щодо вибору файлів" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "Домівка" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "СпиÑок" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "Шукати у:" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "Помилка під Ñ‡Ð°Ñ ÑÑ‚Ð²Ð¾Ñ€ÐµÐ½Ð½Ñ Ñ‚ÐµÐºÐ¸" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "Ðова тека" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "Створити теку" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "Відкрити вибраний файл" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "Зберегти" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "Зберегти вибраний файл" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "Зберегти у:" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "Оновити" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "Оновити ÑпиÑок каталогів" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "Вгору" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "Рівнем вище" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "Гаразд" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "ПереглÑд" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "Долучити моделі" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "Ð—Ð¾Ð±Ñ€Ð°Ð¶ÐµÐ½Ð½Ñ Ð· банку протеїнів" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"ЗауваженнÑ: виÑвлено дані щодо Ñ€Ð¾Ð·Ñ‚Ð°ÑˆÑƒÐ²Ð°Ð½Ð½Ñ Ð°Ñ‚Ð¾Ð¼Ñ–Ð² водню Ñкелетного аміду, " -"Ñкі буде проігноровано. Ð Ð¾Ð·Ñ‚Ð°ÑˆÑƒÐ²Ð°Ð½Ð½Ñ Ð°Ñ‚Ð¾Ð¼Ñ–Ð² буде визначено наближено, Ñк у " -"Ñтандартному аналізі вторинної Ñтруктури білків.\n" -"СкориÑтайтеÑÑ Ð¿ÑƒÐ½ÐºÑ‚Ð¾Ð¼ {0}, щоб наказати програмі не викориÑтовувати це " -"наближеннÑ.\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"ЗауваженнÑ: виÑвлено дані щодо Ñ€Ð¾Ð·Ñ‚Ð°ÑˆÑƒÐ²Ð°Ð½Ð½Ñ Ð°Ñ‚Ð¾Ð¼Ñ–Ð² водню Ñкелетного аміду, " -"Ñкі буде викориÑтано. Отримані результати можуть значно відрізнÑтиÑÑ Ð²Ñ–Ð´ " -"даних аналізу вторинної Ñтруктури білків.\n" -"СкориÑтайтеÑÑ Ð¿ÑƒÐ½ÐºÑ‚Ð¾Ð¼ {0}, щоб наказати програмі ігнорувати дані щодо " -"Ñ€Ð¾Ð·Ñ‚Ð°ÑˆÑƒÐ²Ð°Ð½Ð½Ñ Ð°Ñ‚Ð¾Ð¼Ñ–Ð² водню.\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "ÐрабÑька" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "ÐÑтурійÑька" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "ÐзербайджанÑька" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "БоÑнійÑька" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "КаталанÑька" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "ЧеÑька" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "ДанÑька" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "Ðімецька" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "Грецька" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "ÐвÑтралійÑька англійÑька" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "БританÑька англійÑька" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "ÐмериканÑька англійÑька" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "ІÑпанÑька" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "ЕÑтонÑька" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "БаÑкÑька" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "ФінÑька" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "ФарерÑька" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "Французька" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "Фризька" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "ГаліÑійÑька" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "ХорватÑька" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "УгорÑька" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "ВірменÑька" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "ІндонезійÑька" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "ІталійÑька" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "ЯпонÑька" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "ЯванÑька" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "КорейÑька" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "МалайÑька" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "Ðорвезька (Бокмал)" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "ÐідерландÑька" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "ОкÑітанÑька" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "ПольÑька" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "ПортугальÑька" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "БразильÑька португальÑька" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "РоÑійÑька" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "СловенÑька" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "СербÑька" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "ШведÑька" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "ТамільÑька" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "Телугу" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "Турецька" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "УйгурÑька" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "УкраїнÑька" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "Узбецька" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "Спрощена китайÑька" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "Традиційна китайÑька" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "Ðе вдалоÑÑ Ð²Ð¸Ð·Ð½Ð°Ñ‡Ð¸Ñ‚Ð¸ ÐºÐ»Ð°Ñ Ð´Ð»Ñ Ð¿Ð¾Ð»Ñ Ñили {0}" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "Ðе позначено жодного атома — дії не виконуватимутьÑÑ!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} атомів буде мінімізовано." - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "не вдалоÑÑ Ð²Ñтановити поле Ñили {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "Ñтворити" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "вернути (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "повторити (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "центр" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "додати атоми водню" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "мінімізувати" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "виправити кількіÑÑ‚ÑŒ водню Ñ– мінімізувати" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "Ñпорожнити" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "зберегти файл" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "зберегти Ñтан" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "інвертувати Ñтерехімічне Ð·Ð¾Ð±Ñ€Ð°Ð¶ÐµÐ½Ð½Ñ ÐºÑ–Ð»ÐµÑ†ÑŒ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "вилучити атом" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "перетÑгнути до зв’Ñзку" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "перетÑгнути атом" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "перетÑгнути атом (Ñ– мінімізувати)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "перетÑÐ³ÑƒÐ²Ð°Ð½Ð½Ñ Ð¼Ð¾Ð»ÐµÐºÑƒÐ»Ð¸ (ALT — обертаннÑ)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "перетÑгнути Ñ– мінімізувати молекулу (швартуваннÑ)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "збільшити зарÑд" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "зменшити зарÑд" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "вилучити зв’Ñзок" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "одинарний" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "подвійний" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "потрійний" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "збільшити порÑдок" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "зменшити порÑдок" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "обертати зв’Ñзок (SHIFT-ПЕРЕТЯГУВÐÐÐЯ)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "вийти з режиму моделюваннÑ" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "ПроÑторова група" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "Ðемає" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "Ð’Ñе" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} процеÑорів" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "Ð’Ñього: {0} МБ" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "МакÑимум: {0} MБ" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "Ð·Ð°Ñ…Ð¾Ð¿Ð»ÐµÐ½Ð½Ñ Ð½Ðµ виконуєтьÑÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Скриптова конÑоль Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "Довідник з кориÑÑ‚ÑƒÐ²Ð°Ð½Ð½Ñ Ð¼Ð¸ÑˆÐµÑŽ" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "Переклади" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "СиÑтема" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "Ðтомів не завантажено" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "ÐалаштуваннÑ:" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "Елемент" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "Модель/Структура" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "Мова" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "За назвою залишку" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "За HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "МолекулÑрні орбіталі ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "СиметріÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "ВідомоÑÑ‚Ñ– щодо моделі" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "Вибір ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "Ð’ÑÑ– {0} моделі" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "ÐÐ°Ð»Ð°ÑˆÑ‚ÑƒÐ²Ð°Ð½Ð½Ñ ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "Збірка {0} моделей" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "атоми: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "зв’ÑзкиЖ {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "групи: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "ланцюги: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "полімери: {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "модель {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "ПереглÑд {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "Головне меню" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "Біомолекули" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "біомолекула {0} ({1} атомів)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "Ð·Ð°Ð²Ð°Ð½Ñ‚Ð°Ð¶ÐµÐ½Ð½Ñ Ð±Ñ–Ð¾Ð¼Ð¾Ð»ÐµÐºÑƒÐ»Ð¸ {0} ({1} атомів)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "Ðемає" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "Показати лише позначені" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "Інвертувати вибір" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "ПереглÑд" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "Ðайкраще" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "Спереду" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "Зліва" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "Справа" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "Згори" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "Знизу" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "Ззаду" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "ОÑÑ–" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "ОÑÑ–" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "ОÑÑ–" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "ОÑÑ–" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "ОÑÑ–" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "ОÑÑ–" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "Сцени" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "Протеїн" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "ОÑнова" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "Бічні ланцюжки" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "ПолÑрні залишки" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "ÐеполÑрні залишки" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "Базові залишки (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "КиÑлотні залишки (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "ÐезарÑджені залишки" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "Ðуклеотиди" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "ДÐК" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "РÐК" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "Базові" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "ÐТ-пари" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "ГЦ-пари" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "ÐУ-пари" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "Вторинна Ñтруктура" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "Гетеро" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "Ð’ÑÑ– з ПБД \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "Ð’ÑÑ– розчинні" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "Ð’ÑÑ– водорозчинні" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "Ð’ÑÑ– неводорозчинні" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "Ðеводорозчинні HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "Ліганд" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "Карбогідрат" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "Ðічого з наведеного вище" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "Стиль" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "Схема" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "Ð—Ð°Ð¿Ð¾Ð²Ð½ÐµÐ½Ð½Ñ Ð¿Ñ€Ð¾Ñтору за моделлю CPK" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "Кульки Ñ– Ñтрижні" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "Стрижні" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "КаркаÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "Макет" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "ТраÑуваннÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "Ðтоми" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "Вимкнено" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% Ван-дер-ВаальÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "Зв’Ñзки" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "Увімкнено" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "Водневі зв’Ñзки" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "ОбчиÑлити" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "Ð’Ñтановити бічний ланцюжок H-зв’Ñзків" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "Ð’Ñтановити ÐºÐ°Ñ€ÐºÐ°Ñ H-зв’Ñзків" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "ДиÑульфідні зв’Ñзки" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "Ð’Ñтановити бічний ланцюжок диÑульфідних зв’Ñзків" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "Ð’Ñтановити ÐºÐ°Ñ€ÐºÐ°Ñ Ð´Ð¸Ñульфідних зв’Ñзків" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "Структури" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Ракетки" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "Стрічки" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Ракети" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "Ðитки" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "ВібраціÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "Вектори" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "Спектри" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "1H-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "13C-NMR" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} пікÑелів" - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "МаÑштаб {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "Стереографічна" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "Червоно-блакитні окулÑри" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "Червоно-Ñині окулÑри" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "Червоно-зелені окулÑри" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "СтереоÑкопіÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "ÐвтоÑтереограма" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "Мітки" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "З Ñимволом елемента" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "З назвою атома" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "З номером атома" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "Ð Ð¾Ð·Ñ‚Ð°ÑˆÑƒÐ²Ð°Ð½Ð½Ñ Ð¼Ñ–Ñ‚ÐºÐ¸ щодо атома" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "По центру" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "Вгорі праворуч" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "Внизу праворуч" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "Вгорі ліворуч" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "Внизу ліворуч" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "Колір" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "За Ñхемою" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "Елемент (CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "Ðльтернативне розташуваннÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "Молекула" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "Формальний зарÑд" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "ЧаÑтковий зарÑд" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "Температура (відноÑна)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "Температура (абÑолютна)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "ÐмінокиÑлота" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "Ланцюжок" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "Група" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "Мономер" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "ОбриÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "УÑпадкувати" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "Чорний" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "Білий" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "Блакитний" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "Червоний" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "ЖовтогарÑчий" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "Жовтий" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "Зелений" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "Синій" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "Індиго" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "Фіалковий" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "Оранжево-рожевий" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "Оливковий" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "Каштановий" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "Сірий" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "Сизий" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "Золотий" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "СинÑво-рожевий" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "Зробити непрозорим" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "Зробити прозорим" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "Тло" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "Поверхні" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "ОÑÑ–" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "Рамка" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "Комірка одиниці" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "МаÑштабуваннÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "Збільшити" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "Зменшити" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "ÐžÐ±ÐµÑ€Ñ‚Ð°Ð½Ð½Ñ Ð½Ð°Ð²ÐºÐ¾Ð»Ð¾ оÑÑ–" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "Ð’Ñтановити швидкіÑÑ‚ÑŒ за X" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "Ð’Ñтановити швидкіÑÑ‚ÑŒ за Y" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "Ð’Ñтановити швидкіÑÑ‚ÑŒ за Z" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "Ð’Ñтановити чаÑтоту кадрів" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "ÐнімаціÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "Режим анімації" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "Одноразове відтвореннÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "Паліндром" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "Цикл" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "ПуÑк" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "Зупинити" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "ÐаÑтупний кадр" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "Попередній кадр" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "Повний назад" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "РеверÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "ПерезапуÑтити" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "ВимірюваннÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "Подвійне ÐºÐ»Ð°Ñ†Ð°Ð½Ð½Ñ Ñ€Ð¾Ð·Ð¿Ð¾Ñ‡Ð¸Ð½Ð°Ñ” Ñ– завершує вÑÑ– вимірюваннÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "ÐатиÑніть Ð´Ð»Ñ Ð²Ð¸Ð¼Ñ–Ñ€ÑŽÐ²Ð°Ð½Ð½Ñ Ð²Ñ–Ð´Ñтані" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "ÐатиÑніть, щоб вимірÑти кут" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "Клацніть, щоб почати Ð²Ð¸Ð¼Ñ–Ñ€ÑŽÐ²Ð°Ð½Ð½Ñ Ð´Ð²Ð¾Ð³Ñ€Ð°Ð½Ð½Ð¾Ð³Ð¾ кута крученнÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "Позначте клацаннÑм два атоми, щоб переглÑнути поÑлідовніÑÑ‚ÑŒ у конÑолі." - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "Вилучити виміри" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "СпиÑок вимірів" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "Вимір відÑтані у нанометрах" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "Ð’Ð¸Ð¼Ñ–Ñ€ÑŽÐ²Ð°Ð½Ð½Ñ Ð²Ñ–Ð´Ñтані у ангÑтремах" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "Ð’Ð¸Ð¼Ñ–Ñ€ÑŽÐ²Ð°Ð½Ð½Ñ Ð²Ñ–Ð´Ñтані у пікометрах" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "Ð’Ñтановити вибір" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "По центру" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "Профіль" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "Мітка" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "Вибрати атом" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "Вибрати ланцюжок" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "Вибрати елемент" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "вийти з режиму моделюваннÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "Вибрати групу" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "Вибрати молекулу" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "Вибрати міÑце" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "Показати дію пошуку Ñиметричної чаÑтини" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "Показати" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Скриптова конÑоль Jmol" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "ВміÑÑ‚ файла" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "Заголовок файла" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "Дані ізоповерхні JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "Дані молекулÑрних орбіталей JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "Модель" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "ОрієнтаціÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "ПроÑторова група" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "Поточний Ñтан" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "Файл" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "Перезавантажити" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "Відкрити з PDB" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "Відкрити вибраний файл" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "Відкрити" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "Завантажити комірку одиниць" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "Відкрити Ñкрипт" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "ЗахопленнÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "Захопити коливаннÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "Захопити обертаннÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "Розпочати захопленнÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "Завершити захопленнÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "Вимкнути захопленнÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "Повторно увімкнути захопленнÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "Ð’Ñтановити чаÑтоту Ð²Ñ–Ð´Ñ‚Ð²Ð¾Ñ€ÐµÐ½Ð½Ñ Ð·Ð°Ñ…Ð¾Ð¿Ð»ÐµÐ½Ð½Ñ" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "Увімкнути/Вимкнути циклічне захопленнÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "Зберегти копію {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "Зберегти Ñкрипт зі Ñтаном" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "Зберегти Ñкрипт з журналом" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "ЕкÑпортувати Ð·Ð¾Ð±Ñ€Ð°Ð¶ÐµÐ½Ð½Ñ {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "Зберегти вÑÑ– дані до файла JMOL (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "Зберегти ізоповерхню JVXL" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "ЕкÑпортувати проÑторову модель {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "ОбчиÑленнÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "Оптимізувати Ñтруктуру" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "МоделюваннÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "Видобути дані MOL" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "Точкова поверхнÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "ÐŸÐ¾Ð²ÐµÑ€Ñ…Ð½Ñ Ð’Ð°Ð½-дер-ВаальÑа" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "МолекулÑрна поверхнÑ" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "ÐŸÐ¾Ð²ÐµÑ€Ñ…Ð½Ñ Ñ€Ð¾Ð·Ñ‡Ð¸Ð½Ð½Ð¸ÐºÐ° ({0}-ангÑтремне зондуваннÑ)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "ДоÑтупна Ð´Ð»Ñ Ñ€Ð¾Ð·Ñ‡Ð¸Ð½Ð½Ð¸ÐºÐ° Ð¿Ð¾Ð²ÐµÑ€Ñ…Ð½Ñ (ВДВ + {0} ангÑтрем)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "МолекулÑрний електроÑтатичний потенціал (діапазон ALL)" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "МолекулÑрний електроÑтатичний потенціал (діапазон -0.1 – 0.1)" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "Перезавантажити {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "Перезавантажити {0} + показати {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "Перезавантажити + Багатогранник" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "Приховати" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "Пунктир" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "Ширина у пікÑелÑÑ…" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} пк" - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "Ширина у ангÑтремах" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "Ореоли позначених" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "Показувати атоми водню" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "Показувати розміри" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "Глибина перÑпективи" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "Кольори RasMol" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "Про програму…" - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "ПОМИЛКРобробки Ñкрипту: " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "Ñлід викориÑтовувати Ð·Ð½Ð°Ñ‡ÐµÐ½Ð½Ñ Ð·Ð° віÑÑми x y z" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "Ðе можна викориÑтовувати {0}, Ñкщо у тлі показано модель" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "помилкова кількіÑÑ‚ÑŒ параметрів" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "ІндекÑи Міллера не можуть бути нульовими." - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "помилкова трійка кольорів [R,G,B]" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "Ñлід викориÑтовувати булівÑьке значеннÑ" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "Ñлід викориÑтовувати булівÑьке або чиÑлове значеннÑ" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "Ñлід викориÑтовувати булівÑьке, чиÑлове Ð·Ð½Ð°Ñ‡ÐµÐ½Ð½Ñ Ð°Ð±Ð¾ {0}" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "не вдалоÑÑ Ð²Ñтановити значеннÑ" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "Ñлід викориÑтовувати колір" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "Ñлід викориÑтовувати колір або назву палітри (Jmol, Rasmol)" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "Ñлід було викориÑтати команду" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" -"Ñлід викориÑтовувати {x y z}, $name або (Ð·Ð°Ð¿Ð¸Ñ Ð·Ð° допомогою Ñимволів атомів)" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "об’єкт креÑÐ»ÐµÐ½Ð½Ñ Ð½Ðµ визначено" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "помилкове Ð·Ð°Ð²ÐµÑ€ÑˆÐµÐ½Ð½Ñ ÐºÐ¾Ð¼Ð°Ð½Ð´Ð¸ Ñкрипту" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "Ñлід викориÑтовувати коректний (Ð·Ð°Ð¿Ð¸Ñ Ð·Ð° допомогою Ñимволів атомів)" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "" -"Ñлід викориÑтовувати (Ð·Ð°Ð¿Ð¸Ñ Ð·Ð° допомогою Ñимволів атомів) або ціле чиÑло" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "Ñлід викориÑтовувати назву файла" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "файл не знайдено" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "неÑуміÑні параметри" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "недоÑÑ‚Ð°Ñ‚Ð½Ñ ÐºÑ–Ð»ÑŒÐºÑ–ÑÑ‚ÑŒ параметрів" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "Ñлід було викориÑтовувати ціле чиÑло" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "ціле чиÑло поза межами діапазону ({0}-{1})" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "некоректний параметр" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "некоректний порÑдок параметрів" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "Ñлід було викориÑтовувати ключове Ñлово" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "не виÑвлено даних коефіцієнтів молекулÑрних орбіталей" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" -"Слід викориÑтовувати Ñ–Ð½Ð´ÐµÐºÑ Ð¼Ð¾Ð»ÐµÐºÑƒÐ»Ñрних орбіталей у межах від 1 до {0}" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" -"Ð´Ð»Ñ Ñ†ÑŒÐ¾Ð³Ð¾ кадру не виÑвлено даних базових значень та коефіцієнтів " -"молекулÑрних орбіталей" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "дані щодо Ð·Ð°Ð¿Ð¾Ð²Ð½ÐµÐ½Ð½Ñ Ð¼Ð¾Ð»ÐµÐºÑƒÐ»Ñрних орбіталей недоÑтупні" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "У цьому файлі визначено лише одну молекулÑрну орбіталь" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "Ð”Ð»Ñ {0} потрібно, щоб було показано лише одну модель" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} вимагає Ð·Ð°Ð²Ð°Ð½Ñ‚Ð°Ð¶ÐµÐ½Ð½Ñ Ð»Ð¸ÑˆÐµ однієї моделі" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "Ðе виÑвлено даних" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" -"Ðе вдалоÑÑ Ð¿Ñ€Ð¾Ñ‡Ð¸Ñ‚Ð°Ñ‚Ð¸ дані щодо чаÑткових зарÑдів з файла; Jmol ці дані " -"потрібні Ð´Ð»Ñ Ð¾Ð±Ñ€Ð¾Ð±ÐºÐ¸ даних MEP." - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "Ðемає комірки одиниць" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "Ñлід було викориÑтати чиÑло" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "чиÑлом має бути ({0} або {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "деÑÑткове чиÑло поза діапазоном ({0}-{1})" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "піÑÐ»Ñ Â«$» Ñлід вказувати назву об’єкта" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" -"Ñлід викориÑтовувати площину — або три точки, або Ð·Ð°Ð¿Ð¸Ñ Ñимволами атомів, " -"або {0}, або {1}, або {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "Ñлід було викориÑтовувати назву влаÑтивоÑÑ‚Ñ–" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "не знайдено проÑторову групу {0}." - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "Ñлід викориÑтовувати Ñ€Ñдок у лапках" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "Ñлід викориÑтовувати Ñ€Ñдок у лапках або ідентифікатор" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "було вказано забагато точок обертаннÑ" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "занадто багато рівнів Ñкрипту" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "невідома влаÑтивіÑÑ‚ÑŒ атома" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "невідома влаÑтивіÑÑ‚ÑŒ зв’Ñзку" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "невідома команда" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "невідомий вираз під Ñ‡Ð°Ñ Ð²Ð¸ÐºÐ¾Ð½Ð°Ð½Ð½Ñ" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "невідомий об’єкт" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "невідомий параметр {0}" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "невідомий параметр {0} у Ñкрипті Ñтану Jmol (вÑтановлено попри вÑе)" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "невідомий параметр SHOW — викориÑтано {0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "що запиÑувати? {0} або «назву файла» {1}" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "ПОМИЛКРÑкрипту: " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "вилучено {0} атомів" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} водневих зв’Ñзки" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "Ñтворено файл {0}" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "некоректний контекÑÑ‚ {0}" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "Ñлід було викориÑтати набір { чиÑло чиÑло чиÑло }" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "Ñлід було викориÑтати команду Ð·Ð°Ð²ÐµÑ€ÑˆÐµÐ½Ð½Ñ Ð²Ð¸Ñ€Ð°Ð·Ñƒ" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "Ñлід було викориÑтати ідентифікатор або Ð¾Ð¿Ð¸Ñ Ð·Ð°Ð»Ð¸ÑˆÐºÑƒ" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "некоректний Ð¾Ð¿Ð¸Ñ Ð°Ñ‚Ð¾Ð¼Ð°" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "некоректний Ð¾Ð¿Ð¸Ñ Ð»Ð°Ð½Ñ†ÑŽÐ¶ÐºÐ°" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "некоректний елементи виразу: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "некоректний Ð¾Ð¿Ð¸Ñ Ð¼Ð¾Ð´ÐµÐ»Ñ–" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "у {0} не виÑтачає команди END" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "Ñлід було викориÑтати чиÑло або назву змінної" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "Ñлід було вказати Ð¾Ð¿Ð¸Ñ Ð·Ð°Ð»Ð¸ÑˆÐºÑƒ (ALA, AL?, A*)" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "Ñлід було викориÑтати {0}" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "не Ñлід викориÑтовувати {0}" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "невідомий елементи виразу: {0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "невідомий елемент: {0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "Змінено {0} зарÑдів" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "додано {0} розпірки" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "ЗауваженнÑ: циклічніÑÑ‚ÑŒ можна увімкнути за допомогою {0}" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "Затримка анімації на оÑнові: {0}" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "вилучено {0} з’єднань" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} нові зв’Ñзки; {1} змінено" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "ЗауваженнÑ: у цей контакт включено декілька моделей!" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "Клацніть, щоб відкрити меню…" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Ðплет Jmol, верÑÑ–Ñ {0} {1}.\n" -"\n" -"Проект OpenScience.\n" -"\n" -"Див. http://www.jmol.org Ð´Ð»Ñ Ð¾Ñ‚Ñ€Ð¸Ð¼Ð°Ð½Ð½Ñ Ð´Ð¾Ð´Ð°Ñ‚ÐºÐ¾Ð²Ð¾Ñ— інформації" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "Помилка у файлі:" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "призначити/додати атом або зв’Ñзок (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "відкрити нещодавнє контекÑтне меню (ÐºÐ»Ð°Ñ†Ð°Ð½Ð½Ñ Ñƒ Ñамому Jmol)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "вилучити атом (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "вилучити зв’Ñзок (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "Ñкоригувати глибину (Ð·Ð°Ð´Ð½Ñ Ð¿Ð»Ð¾Ñ‰Ð¸Ð½Ð°, потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "переÑунути атом (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "переÑунути веÑÑŒ об’єкт креÑÐ»ÐµÐ½Ð½Ñ (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "переÑунути певну точку креÑÐ»ÐµÐ½Ð½Ñ (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "переÑÑƒÐ²Ð°Ð½Ð½Ñ Ð¼Ñ–Ñ‚ÐºÐ¸ (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "переÑунути атом Ñ– мінімізувати молекулу (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "переÑунути Ñ– мінімізувати молекулу (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "переÑунути позначені атоми (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "перетÑÐ³ÑƒÐ²Ð°Ð½Ð½Ñ Ð°Ñ‚Ð¾Ð¼Ñ–Ð² у напрÑмку Z (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "імітувати ÑенÑорне ÐºÐµÑ€ÑƒÐ²Ð°Ð½Ð½Ñ Ð·Ð° допомогою миші)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "паралельно перенеÑти точку навігації (потрібно {0} Ñ– {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "вибрати атом" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "з’єднати атоми (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "вибрати точку ISOSURFACE (потрібно {0}" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "вибрати мітку Ð´Ð»Ñ Ð¿ÐµÑ€ÐµÐ¼Ð¸ÐºÐ°Ð½Ð½Ñ Ñтану приховано/показано (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" -"вибрати атом Ð´Ð»Ñ Ð²ÐºÐ»ÑŽÑ‡ÐµÐ½Ð½Ñ Ð¹Ð¾Ð³Ð¾ у виміри (піÑÐ»Ñ Ð¿Ð¾Ñ‡Ð°Ñ‚ÐºÑƒ Ð²Ð¸Ð¼Ñ–Ñ€ÑŽÐ²Ð°Ð½Ð½Ñ Ð°Ð±Ð¾ " -"піÑÐ»Ñ {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "вибрати точку або атом Ð´Ð»Ñ Ð¿ÐµÑ€ÐµÑ…Ð¾Ð´Ñƒ (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "вибрати точку DRAW (Ð´Ð»Ñ Ð²Ð¸Ð¼Ñ–Ñ€ÑŽÐ²Ð°Ð½Ð½Ñ) (потрібно {0}" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "відкрити повне контекÑтне меню" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "відновити (піÑÐ»Ñ ÐºÐ»Ð°Ñ†Ð°Ð½Ð½Ñ Ð»Ñ–Ð²Ð¾ÑŽ кнопкою миші поза моделлю)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "обертаннÑ" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "обертати гілку навколо зв’Ñзку (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "обертати позначені атоми (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "Ð¾Ð±ÐµÑ€Ñ‚Ð°Ð½Ð½Ñ Ð½Ð°Ð²ÐºÐ¾Ð»Ð¾ Z" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" -"обертати навколо Z (горизонтальне переÑÑƒÐ²Ð°Ð½Ð½Ñ Ð²ÐºÐ°Ð·Ñ–Ð²Ð½Ð¸ÐºÐ° миші) або змінювати " -"маÑштаб (вертикальне переÑÑƒÐ²Ð°Ð½Ð½Ñ Ð²ÐºÐ°Ð·Ñ–Ð²Ð½Ð¸ÐºÐ° миші)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "позначити атом (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "Ð¿Ð¾Ð·Ð½Ð°Ñ‡ÐµÐ½Ð½Ñ Ñ– перетÑÐ³ÑƒÐ²Ð°Ð½Ð½Ñ Ð°Ñ‚Ð¾Ð¼Ñ–Ð² (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "знÑти Ð¿Ð¾Ð·Ð½Ð°Ñ‡ÐµÐ½Ð½Ñ Ð· групи атомів (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "знÑти Ð¿Ð¾Ð·Ð½Ð°Ñ‡ÐµÐ½Ð½Ñ Ð· уÑÑ–Ñ… (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "додати цю групу атомів до набору позначених атомів (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "позначити або знÑти Ð¿Ð¾Ð·Ð½Ð°Ñ‡ÐµÐ½Ð½Ñ (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"Ñкщо позначено вÑе, знÑти позначеннÑ, інакше додати цю групу атомів до " -"набору позначених атомів (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "вибрати атом Ð´Ð»Ñ Ñ‚Ð¾Ð³Ð¾, щоб розпочати або завершити вимірюваннÑ" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "Ñкоригувати оÑнову (Ð¿ÐµÑ€ÐµÐ´Ð½Ñ Ð¿Ð»Ð¾Ñ‰Ð¸Ð½Ð°, потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "переÑунути вікно площини/глибини (обидві площини; потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "зміна маÑштабу (вздовж правого краю вікна)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" -"клацніть лівою кнопкою миші у двох точках, щоб почати Ð¾Ð±ÐµÑ€Ñ‚Ð°Ð½Ð½Ñ Ð½Ð°Ð²ÐºÐ¾Ð»Ð¾ віÑÑ– " -"проти годинникової Ñтрілки (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" -"клацніть лівою кнопкою миші у двох точках, щоб почати Ð¾Ð±ÐµÑ€Ñ‚Ð°Ð½Ð½Ñ Ð½Ð°Ð²ÐºÐ¾Ð»Ð¾ віÑÑ– " -"за годинниковою Ñтрілкою (потрібно {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "зупинити рух (потрібен {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" -"обертати модель навколо віÑÑ– (ÐºÐ»Ð°Ñ†Ð°Ð½Ð½Ñ Ð· наÑтупним відпуÑканнÑм кнопки " -"призведе до зупинки обертаннÑ)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "паралельне переÑуваннÑ" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "маÑштаб" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "вибрати ще один атом Ð´Ð»Ñ Ð¾Ð±ÐµÑ€Ñ‚Ð°Ð½Ð½Ñ Ð¼Ð¾Ð´ÐµÐ»Ñ– навколо віÑÑ–" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "вибрати два атоми Ð´Ð»Ñ Ð¾Ð±ÐµÑ€Ñ‚Ð°Ð½Ð½Ñ Ð¼Ð¾Ð´ÐµÐ»Ñ– навколо віÑÑ–" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "вибрати ще один атом Ð´Ð»Ñ Ð¿Ð¾ÐºÐ°Ð·Ñƒ взаємозв’Ñзків Ñиметрії" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "вибрати два атоми Ð´Ð»Ñ Ð¿Ð¾ÐºÐ°Ð·Ñƒ взаємозв’Ñзків Ñиметрії між ними" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "ÑкаÑовано" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "{0} збережено" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "Ð’ÑÑ‚Ð°Ð½Ð¾Ð²Ð»ÐµÐ½Ð½Ñ Ñ„Ð°Ð¹Ð»Ð° журналу {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "Ðе вдалоÑÑ Ð²Ñтановити шлÑÑ… до файла журналу." - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "приховано атоми {0}" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "позначено атоми {0}" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "ПеретÑгніть, щоб переÑунути мітку" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "доÑтуп до буфера даних заборонено — викориÑтовуйте підпиÑаний аплет" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "додано атоми водню {0}" - -#~ msgid "Hide Symmetry" -#~ msgstr "Приховати Ñиметричні" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "Ð—Ð°Ð²Ð°Ð½Ñ‚Ð°Ð¶ÐµÐ½Ð½Ñ Ð°Ð¿Ð»ÐµÑ‚Ñƒ Jmol…" - -#~ msgid " {0} seconds" -#~ msgstr " {0} Ñекунд" - -#~ msgid "{0} struts mp.added" -#~ msgstr "Додано {0} розпинок" - -#~ msgid "Java version:" -#~ msgstr "ВерÑÑ–Ñ Java:" - -#~ msgid "1 processor" -#~ msgstr "1 процеÑор" - -#~ msgid "unknown processor count" -#~ msgstr "невідома кількіÑÑ‚ÑŒ процеÑорів" - -#~ msgid "Java memory usage:" -#~ msgstr "ВикориÑÑ‚Ð°Ð½Ð½Ñ Ð¿Ð°Ð¼â€™ÑÑ‚Ñ– Java:" - -#~ msgid "{0} MB free" -#~ msgstr "Вільно: {0} MБ" - -#~ msgid "unknown maximum" -#~ msgstr "макÑимум невідомий" - -#~ msgid "Open file or URL" -#~ msgstr "Відкрити файл або адреÑу URL" diff --git a/qmpy/web/static/js/jsmol/idioma/uz.po b/qmpy/web/static/js/jsmol/idioma/uz.po deleted file mode 100644 index 3b6246f9..00000000 --- a/qmpy/web/static/js/jsmol/idioma/uz.po +++ /dev/null @@ -1,2532 +0,0 @@ -# Uzbek translation for jmol -# Copyright (c) 2012 Rosetta Contributors and Canonical Ltd 2012 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2012. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: FULL NAME \n" -"POT-Creation-Date: 2013-10-09 20:04+0200\n" -"PO-Revision-Date: 2013-06-02 23:46+0000\n" -"Last-Translator: Nicolas Vervelle \n" -"Language-Team: Uzbek \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:56+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/applet/AppletWrapper.java:101 -msgid "Loading Jmol applet ..." -msgstr "Jmol аплети юкланмоқда..." - -#: org/jmol/applet/AppletWrapper.java:176 -#, java-format -msgid " {0} seconds" -msgstr " {0} Ñекунд" - -#: org/jmol/applet/Jmol.java:711 org/jmol/appletjs/Jmol.java:366 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet верÑÐ¸Ñ {0}{1}.\n" -"\n" -"Очиқ кодли лойиҳа.\n" -"\n" -"Маълумот олиш учун http://www.jmol.org ни кўринг." - -#: org/jmol/applet/Jmol.java:985 org/jmol/appletjs/Jmol.java:603 -msgid "File Error:" -msgstr "Файлда ҳатолик:" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:76 -#: org/jmol/modelkit/ModelKitPopup.java:56 -msgid "Element?" -msgstr "" - -#: org/jmol/console/GenericConsole.java:79 -msgid "&Help" -msgstr "&Ðрдам" - -#: org/jmol/console/GenericConsole.java:80 -msgid "&Search..." -msgstr "Қидириш..." - -#: org/jmol/console/GenericConsole.java:81 -msgid "&Commands" -msgstr "Буйруқлар" - -#: org/jmol/console/GenericConsole.java:82 -msgid "Math &Functions" -msgstr "Математик ФункциÑлар" - -#: org/jmol/console/GenericConsole.java:83 -msgid "Set &Parameters" -msgstr "Параметрларни аниқла" - -#: org/jmol/console/GenericConsole.java:84 -msgid "&More" -msgstr "&Кўпроқ" - -#: org/jmol/console/GenericConsole.java:85 -msgid "Editor" -msgstr "Таҳрирчи" - -#: org/jmol/console/GenericConsole.java:86 -msgid "State" -msgstr "Ҳолат" - -#: org/jmol/console/GenericConsole.java:87 -#: org/jmol/console/ScriptEditor.java:140 -msgid "Run" -msgstr "Ishga tushirish" - -#: org/jmol/console/GenericConsole.java:88 -msgid "Clear Output" -msgstr "" - -#: org/jmol/console/GenericConsole.java:89 -msgid "Clear Input" -msgstr "" - -#: org/jmol/console/GenericConsole.java:90 -#: org/jmol/popup/MainPopupResourceBundle.java:895 -msgid "History" -msgstr "Тарих" - -#: org/jmol/console/GenericConsole.java:91 -msgid "Load" -msgstr "Юклаш" - -#: org/jmol/console/GenericConsole.java:93 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" - -#: org/jmol/console/GenericConsole.java:95 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" - -#: org/jmol/console/GenericConsole.java:128 -msgid "Jmol Script Console" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:101 -msgid "Jmol Script Editor" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:133 -#: org/jmol/popup/MainPopupResourceBundle.java:891 -msgid "Console" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:135 org/jmol/dialog/Dialog.java:445 -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:472 -msgid "Open" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:136 -msgid "Script" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:137 -msgid "Check" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:138 -msgid "" -"Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:139 -msgid "Step" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:141 -#: org/jmol/popup/MainPopupResourceBundle.java:847 -msgid "Pause" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:143 -#: org/jmol/popup/MainPopupResourceBundle.java:848 -msgid "Resume" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Halt" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Clear" -msgstr "" - -#: org/jmol/console/ScriptEditor.java:148 -msgid "Close" -msgstr "" - -#: org/jmol/dialog/Dialog.java:93 -msgid "File or URL:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:270 -msgid "Image Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:285 org/jmol/dialog/Dialog.java:326 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:299 -#, java-format -msgid "PNG Compression ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:329 -#, java-format -msgid "PNG Quality ({0})" -msgstr "" - -#: org/jmol/dialog/Dialog.java:376 org/jmol/dialog/Dialog.java:488 -msgid "Yes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:376 org/jmol/dialog/Dialog.java:486 -msgid "No" -msgstr "" - -#: org/jmol/dialog/Dialog.java:378 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "" - -#: org/jmol/dialog/Dialog.java:379 -msgid "Warning" -msgstr "" - -#: org/jmol/dialog/Dialog.java:437 -msgid "All Files" -msgstr "" - -#: org/jmol/dialog/Dialog.java:438 org/jmol/dialog/Dialog.java:485 -msgid "Cancel" -msgstr "" - -#: org/jmol/dialog/Dialog.java:440 -msgid "Abort file chooser dialog" -msgstr "" - -#: org/jmol/dialog/Dialog.java:442 org/jmol/dialog/Dialog.java:443 -msgid "Details" -msgstr "" - -#: org/jmol/dialog/Dialog.java:444 -msgid "Directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:447 -msgid "Open selected directory" -msgstr "" - -#: org/jmol/dialog/Dialog.java:448 -msgid "Attributes" -msgstr "" - -#: org/jmol/dialog/Dialog.java:449 -msgid "Modified" -msgstr "" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Generic File" -msgstr "" - -#: org/jmol/dialog/Dialog.java:451 -msgid "Name" -msgstr "" - -#: org/jmol/dialog/Dialog.java:452 -msgid "File Name:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:453 -msgid "Size" -msgstr "" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Files of Type:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:455 -msgid "Type" -msgstr "" - -#: org/jmol/dialog/Dialog.java:456 -msgid "Help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:458 -msgid "FileChooser help" -msgstr "" - -#: org/jmol/dialog/Dialog.java:459 org/jmol/dialog/Dialog.java:460 -msgid "Home" -msgstr "" - -#: org/jmol/dialog/Dialog.java:461 org/jmol/dialog/Dialog.java:462 -msgid "List" -msgstr "" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Look In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Error creating new folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:466 -msgid "New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:468 -msgid "Create New Folder" -msgstr "" - -#: org/jmol/dialog/Dialog.java:471 -msgid "Open selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:473 org/jmol/dialog/Dialog.java:476 -msgid "Save" -msgstr "" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Save selected file" -msgstr "" - -#: org/jmol/dialog/Dialog.java:477 -msgid "Save In:" -msgstr "" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Update" -msgstr "" - -#: org/jmol/dialog/Dialog.java:480 -msgid "Update directory listing" -msgstr "" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Up" -msgstr "" - -#: org/jmol/dialog/Dialog.java:482 -msgid "Up One Level" -msgstr "" - -#: org/jmol/dialog/Dialog.java:487 -msgid "OK" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:97 -msgid "Append models" -msgstr "" - -#: org/jmol/dialog/FilePreview.java:99 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:219 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:225 -msgid "No atoms selected -- nothing to do!" -msgstr "" - -#: org/jmol/minimize/Minimizer.java:310 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "" - -#: org/jmol/minimize/Minimizer.java:325 -#, java-format -msgid "could not setup force field {0}" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:84 -msgid "new" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:85 -msgid "undo (CTRL-Z)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:86 -msgid "redo (CTRL-Y)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:87 -#: org/jmol/viewer/ActionManager.java:342 -msgid "center" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "add hydrogens" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "fix hydrogens and minimize" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -msgid "clear" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "save file" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "save state" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "invert ring stereochemistry" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "delete atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "drag to bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "drag atom" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "drag atom (and minimize)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag and minimize molecule (docking)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:109 -msgid "increase charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:110 -msgid "decrease charge" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:111 -msgid "delete bond" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:112 -msgid "single" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "double" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "triple" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "increase order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "decrease order" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "exit modelkit mode" -msgstr "" - -#: org/jmol/modelsetbio/AminoPolymer.java:579 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" - -#: org/jmol/modelsetbio/AminoPolymer.java:585 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:636 -#: org/jmol/popup/MainPopupResourceBundle.java:570 -msgid "No atoms loaded" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:913 -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "Space Group" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:983 org/jmol/popup/GenericPopup.java:1033 -#: org/jmol/popup/MainPopupResourceBundle.java:603 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -msgid "All" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1145 -#: org/jmol/popup/MainPopupResourceBundle.java:1000 -msgid "Mouse Manual" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1147 -#: org/jmol/popup/MainPopupResourceBundle.java:1001 -msgid "Translations" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1151 -msgid "System" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1156 -msgid "Java version:" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1170 -msgid "1 processor" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1171 -#, java-format -msgid "{0} processors" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1173 -msgid "unknown processor count" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1174 -msgid "Java memory usage:" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1179 -#, java-format -msgid "{0} MB total" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1181 -#, java-format -msgid "{0} MB free" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1184 -#, java-format -msgid "{0} MB maximum" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1187 -msgid "unknown maximum" -msgstr "" - -#: org/jmol/popup/GenericPopup.java:1299 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:572 -msgid "Configurations" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:573 -msgid "Element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:574 -msgid "Model/Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -msgid "Language" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -#: org/jmol/popup/MainPopupResourceBundle.java:577 -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "By Residue Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "By HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -#: org/jmol/popup/MainPopupResourceBundle.java:902 -#: org/jmol/popup/MainPopupResourceBundle.java:958 -msgid "Symmetry" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Hide Symmetry" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Model information" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -#, java-format -msgid "Select ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:586 -#, java-format -msgid "All {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -#, java-format -msgid "Configurations ({0})" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#, java-format -msgid "Collection of {0} models" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -#, java-format -msgid "atoms: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:590 -#, java-format -msgid "bonds: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -#, java-format -msgid "groups: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -#, java-format -msgid "chains: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -#, java-format -msgid "polymers: {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -#, java-format -msgid "model {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -#, java-format -msgid "View {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -msgid "Main Menu" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Biomolecules" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:604 -#: org/jmol/popup/MainPopupResourceBundle.java:731 -#: org/jmol/popup/MainPopupResourceBundle.java:740 -msgid "None" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -msgid "Display Selected Only" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "Invert Selection" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "View" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Front" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Bottom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:615 -msgid "Back" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:617 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Protein" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -#: org/jmol/popup/MainPopupResourceBundle.java:632 -#: org/jmol/popup/MainPopupResourceBundle.java:702 -#: org/jmol/popup/MainPopupResourceBundle.java:799 -msgid "Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Side Chains" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Polar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -msgid "Nonpolar Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -msgid "Basic Residues (+)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Acidic Residues (-)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Uncharged Residues" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:628 -msgid "Nucleic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "DNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "RNA" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "Bases" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "AT pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "GC pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "AU pairs" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Hetero" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:638 -msgid "All PDB \"HETATM\"" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -msgid "All Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "All Water" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -msgid "Nonaqueous Solvent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:643 -msgid "Nonaqueous HETATM" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:644 -msgid "Ligand" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -msgid "Carbohydrate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "None of the above" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:650 -msgid "Style" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:651 -msgid "Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:652 -msgid "CPK Spacefill" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:653 -msgid "Ball and Stick" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Sticks" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Wireframe" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -#: org/jmol/popup/MainPopupResourceBundle.java:703 -#: org/jmol/popup/MainPopupResourceBundle.java:801 -msgid "Cartoon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:657 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -#: org/jmol/popup/MainPopupResourceBundle.java:800 -msgid "Trace" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:753 -msgid "Atoms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -#: org/jmol/popup/MainPopupResourceBundle.java:669 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#: org/jmol/popup/MainPopupResourceBundle.java:690 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#: org/jmol/popup/MainPopupResourceBundle.java:711 -#: org/jmol/popup/MainPopupResourceBundle.java:719 -#: org/jmol/popup/MainPopupResourceBundle.java:825 -#: org/jmol/popup/MainPopupResourceBundle.java:876 -#: org/jmol/popup/MainPopupResourceBundle.java:956 -msgid "Off" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:661 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -#: org/jmol/popup/MainPopupResourceBundle.java:663 -#: org/jmol/popup/MainPopupResourceBundle.java:664 -#: org/jmol/popup/MainPopupResourceBundle.java:665 -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "{0}% van der Waals" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#: org/jmol/popup/MainPopupResourceBundle.java:795 -msgid "Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -#: org/jmol/popup/MainPopupResourceBundle.java:680 -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:712 -#: org/jmol/popup/MainPopupResourceBundle.java:720 -#: org/jmol/popup/MainPopupResourceBundle.java:824 -msgid "On" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:671 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -#: org/jmol/popup/MainPopupResourceBundle.java:674 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:686 -#: org/jmol/popup/MainPopupResourceBundle.java:687 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#: org/jmol/popup/MainPopupResourceBundle.java:695 -#: org/jmol/popup/MainPopupResourceBundle.java:696 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:722 -#: org/jmol/popup/MainPopupResourceBundle.java:723 -#: org/jmol/popup/MainPopupResourceBundle.java:980 -#: org/jmol/popup/MainPopupResourceBundle.java:981 -#: org/jmol/popup/MainPopupResourceBundle.java:982 -#: org/jmol/popup/MainPopupResourceBundle.java:983 -#: org/jmol/popup/MainPopupResourceBundle.java:984 -#, java-format -msgid "{0} Ã…" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:796 -msgid "Hydrogen Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -msgid "Calculate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:681 -msgid "Set H-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:682 -msgid "Set H-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:689 -#: org/jmol/popup/MainPopupResourceBundle.java:797 -msgid "Disulfide Bonds" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:692 -msgid "Set SS-Bonds Side Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:693 -msgid "Set SS-Bonds Backbone" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:798 -msgid "Structures" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Cartoon Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -#: org/jmol/popup/MainPopupResourceBundle.java:802 -msgid "Ribbons" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -#: org/jmol/popup/MainPopupResourceBundle.java:803 -msgid "Rockets" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -#: org/jmol/popup/MainPopupResourceBundle.java:804 -msgid "Strands" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Vibration" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:715 -#: org/jmol/popup/MainPopupResourceBundle.java:808 -msgid "Vectors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:716 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:717 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:718 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:721 -#, java-format -msgid "{0} pixels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:724 -#: org/jmol/popup/MainPopupResourceBundle.java:725 -#: org/jmol/popup/MainPopupResourceBundle.java:726 -#: org/jmol/popup/MainPopupResourceBundle.java:727 -#: org/jmol/popup/MainPopupResourceBundle.java:728 -#, java-format -msgid "Scale {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:730 -msgid "Stereographic" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:732 -msgid "Red+Cyan glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:733 -msgid "Red+Blue glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:734 -msgid "Red+Green glasses" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:735 -msgid "Cross-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:736 -msgid "Wall-eyed viewing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:738 -#: org/jmol/popup/MainPopupResourceBundle.java:805 -msgid "Labels" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:741 -msgid "With Element Symbol" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:742 -msgid "With Atom Name" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:743 -msgid "With Atom Number" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:745 -msgid "Position Label on Atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:746 -msgid "Centered" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:747 -msgid "Upper Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:748 -msgid "Lower Right" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:749 -msgid "Upper Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:750 -msgid "Lower Left" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:752 -msgid "Color" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:755 -msgid "By Scheme" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:756 -msgid "Element (CPK)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:757 -msgid "Alternative Location" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:758 -msgid "Molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:759 -msgid "Formal Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:760 -msgid "Partial Charge" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:761 -msgid "Temperature (Relative)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:762 -msgid "Temperature (Fixed)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:764 -msgid "Amino Acid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:765 -msgid "Secondary Structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:766 -msgid "Chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:767 -msgid "Group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:768 -msgid "Monomer" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:769 -msgid "Shapely" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:771 -msgid "Inherit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:772 -msgid "Black" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:773 -msgid "White" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:774 -msgid "Cyan" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:776 -msgid "Red" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:777 -msgid "Orange" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:778 -msgid "Yellow" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:779 -msgid "Green" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:780 -msgid "Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:781 -msgid "Indigo" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:782 -msgid "Violet" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:784 -msgid "Salmon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:785 -msgid "Olive" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:786 -msgid "Maroon" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:787 -msgid "Gray" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:788 -msgid "Slate Blue" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:789 -msgid "Gold" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:790 -msgid "Orchid" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:792 -#: org/jmol/popup/MainPopupResourceBundle.java:954 -msgid "Make Opaque" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:793 -#: org/jmol/popup/MainPopupResourceBundle.java:955 -msgid "Make Translucent" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:806 -msgid "Background" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:807 -#: org/jmol/popup/MainPopupResourceBundle.java:945 -msgid "Surfaces" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:809 -#: org/jmol/popup/MainPopupResourceBundle.java:966 -#: org/jmol/popup/MainPopupResourceBundle.java:992 -msgid "Axes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:810 -#: org/jmol/popup/MainPopupResourceBundle.java:967 -#: org/jmol/popup/MainPopupResourceBundle.java:991 -msgid "Boundbox" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:811 -#: org/jmol/popup/MainPopupResourceBundle.java:942 -#: org/jmol/popup/MainPopupResourceBundle.java:968 -#: org/jmol/popup/MainPopupResourceBundle.java:993 -msgid "Unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:813 -msgid "Zoom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:820 -msgid "Zoom In" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:821 -msgid "Zoom Out" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:823 -#: org/jmol/popup/MainPopupResourceBundle.java:888 -msgid "Spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:827 -msgid "Set X Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:828 -msgid "Set Y Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:829 -msgid "Set Z Rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:830 -#: org/jmol/popup/MainPopupResourceBundle.java:856 -msgid "Set FPS" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:840 -msgid "Animation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:841 -msgid "Animation Mode" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:842 -msgid "Play Once" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:843 -msgid "Palindrome" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:844 -msgid "Loop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:846 -msgid "Play" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:849 -msgid "Stop" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:850 -msgid "Next Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:851 -msgid "Previous Frame" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:852 -msgid "Rewind" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:853 -msgid "Reverse" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:854 -msgid "Restart" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:863 -#: org/jmol/popup/MainPopupResourceBundle.java:897 -msgid "Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:864 -msgid "Double-Click begins and ends all measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:865 -msgid "Click for distance measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:866 -msgid "Click for angle measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:867 -msgid "Click for torsion (dihedral) measurement" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:868 -msgid "Click two atoms to display a sequence in the console" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:869 -msgid "Delete measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:870 -msgid "List measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:871 -msgid "Distance units nanometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:872 -msgid "Distance units Angstroms" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:873 -msgid "Distance units picometers" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:875 -msgid "Set picking" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:877 -msgid "Center" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:879 -msgid "Identity" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:880 -msgid "Label" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:881 -msgid "Select atom" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:882 -msgid "Select chain" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:883 -msgid "Select element" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:884 -msgid "Select group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:885 -msgid "Select molecule" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:886 -msgid "Select site" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:887 -msgid "Show symmetry operation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:890 -msgid "Show" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:893 -msgid "File Contents" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:894 -msgid "File Header" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:896 -msgid "Isosurface JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:898 -msgid "Molecular orbital JVXL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:899 -msgid "Model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:900 -msgid "Orientation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:901 -msgid "Space group" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:903 -msgid "Current state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:905 -msgid "File" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:906 -msgid "Reload" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:907 -msgid "Open from PDB" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:908 -msgid "Open file or URL" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:909 -msgid "Load full unit cell" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:910 -msgid "Open script" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:912 -#: org/jmol/viewer/OutputManager.java:652 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:913 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:914 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:915 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:916 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:917 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:918 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:919 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:920 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:922 -#, java-format -msgid "Save a copy of {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:923 -msgid "Save script with state" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:924 -msgid "Save script with history" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:925 -#: org/jmol/popup/MainPopupResourceBundle.java:926 -#: org/jmol/popup/MainPopupResourceBundle.java:927 -#: org/jmol/popup/MainPopupResourceBundle.java:928 -#: org/jmol/popup/MainPopupResourceBundle.java:929 -#, java-format -msgid "Export {0} image" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:930 -msgid "Save all as JMOL file (zip)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:931 -msgid "Save JVXL isosurface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:932 -#: org/jmol/popup/MainPopupResourceBundle.java:933 -#: org/jmol/popup/MainPopupResourceBundle.java:934 -#: org/jmol/popup/MainPopupResourceBundle.java:935 -#, java-format -msgid "Export {0} 3D model" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:937 -msgid "Computation" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:938 -msgid "Optimize structure" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:939 -msgid "Model kit" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:943 -msgid "Extract MOL data" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:946 -msgid "Dot Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:947 -msgid "van der Waals Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:948 -msgid "Molecular Surface" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:949 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:951 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:952 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:953 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:959 -#: org/jmol/popup/MainPopupResourceBundle.java:960 -#: org/jmol/popup/MainPopupResourceBundle.java:961 -#, java-format -msgid "Reload {0}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:962 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:963 -msgid "Reload + Polyhedra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:970 -msgid "Hide" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:971 -msgid "Dotted" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:973 -msgid "Pixel Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:974 -#: org/jmol/popup/MainPopupResourceBundle.java:975 -#: org/jmol/popup/MainPopupResourceBundle.java:976 -#: org/jmol/popup/MainPopupResourceBundle.java:977 -#, java-format -msgid "{0} px" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:979 -msgid "Angstrom Width" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:987 -msgid "Selection Halos" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:988 -msgid "Show Hydrogens" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:989 -msgid "Show Measurements" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:990 -msgid "Perspective Depth" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:994 -msgid "RasMol Colors" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:995 -msgid "About..." -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1348 -#: org/jmol/script/ScriptEvaluator.java:2922 -msgid "bad argument count" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1351 -#, java-format -msgid "invalid context for {0}" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1354 -#: org/jmol/script/ScriptEvaluator.java:2949 -msgid "command expected" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1357 -msgid "{ number number number } expected" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1360 -#: org/jmol/script/ScriptEvaluator.java:2958 -msgid "unexpected end of script command" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1363 -msgid "end of expression expected" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1366 -msgid "identifier or residue specification expected" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1369 -msgid "invalid atom specification" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1372 -msgid "invalid chain specification" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1375 -#, java-format -msgid "invalid expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1378 -msgid "invalid model specification" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1381 -#, java-format -msgid "missing END for {0}" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1384 -#: org/jmol/script/ScriptEvaluator.java:3025 -msgid "number expected" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1387 -msgid "number or variable name expected" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1390 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1393 -#, java-format -msgid "{0} expected" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1396 -#, java-format -msgid "{0} unexpected" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1399 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1402 -#: org/jmol/script/ScriptEvaluator.java:3074 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "" - -#: org/jmol/script/ScriptCompilationTokenParser.java:1405 -#, java-format -msgid "unrecognized token: {0}" -msgstr "" - -#: org/jmol/script/ScriptCompiler.java:2673 -msgid "script compiler ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2762 -#: org/jmol/script/ScriptEvaluator.java:9339 -msgid "script ERROR: " -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2916 -msgid "x y z axis expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2919 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2925 -msgid "Miller indices cannot all be zero." -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2928 -msgid "bad [R,G,B] color" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2931 -msgid "boolean expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2934 -msgid "boolean or number expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2937 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2940 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2943 -msgid "color expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2946 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2952 -msgid "{x y z} or $name or (atom expression) required" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2955 -msgid "draw object not defined" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2961 -msgid "valid (atom expression) expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2964 -msgid "(atom expression) or integer expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2967 -msgid "filename expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2970 -msgid "file not found" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2973 -msgid "incompatible arguments" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2976 -msgid "insufficient arguments" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2979 -msgid "integer expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2982 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2985 -msgid "invalid argument" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2988 -msgid "invalid parameter order" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2991 -msgid "keyword expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2994 -msgid "no MO coefficient data available" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:2997 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3000 -msgid "no MO basis/coefficient data available for this frame" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3003 -msgid "no MO occupancy data available" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3006 -msgid "Only one molecular orbital is available in this file" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3009 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3012 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3015 -msgid "No data available" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3019 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3022 -msgid "No unit cell" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3028 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3031 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3034 -msgid "object name expected after '$'" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3038 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3041 -msgid "property name expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3044 -#, java-format -msgid "space group {0} was not found." -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3047 -msgid "quoted string expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3050 -msgid "quoted string or identifier expected" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3053 -msgid "too many rotation points were specified" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3056 -msgid "too many script levels" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3059 -msgid "unrecognized atom property" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3062 -msgid "unrecognized bond property" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3065 -msgid "unrecognized command" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3068 -msgid "runtime unrecognized expression" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3071 -msgid "unrecognized object" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3078 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3081 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:3087 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:5722 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:5724 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:7001 -#, java-format -msgid "{0} connections deleted" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:7013 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:8432 -#, java-format -msgid "file {0} created" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:9492 -#: org/jmol/script/ScriptEvaluator.java:9675 -#, java-format -msgid "{0} atoms deleted" -msgstr "" - -#: org/jmol/script/ScriptEvaluator.java:10323 -#: org/jmol/scriptext/ScriptExt.java:5711 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "" - -#: org/jmol/scriptext/ScriptExt.java:5689 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/ScriptExt.java:5770 -#, java-format -msgid "{0} struts mp.added" -msgstr "" - -#: org/jmol/scriptext/ScriptExt.java:6073 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:80 -msgid "Click for menu..." -msgstr "" - -#: org/jmol/viewer/ActionManager.java:340 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:344 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:346 -#, java-format -msgid "delete atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:348 -#, java-format -msgid "delete bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:350 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:351 -#, java-format -msgid "move atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:354 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:356 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:357 -#, java-format -msgid "move label (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:360 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:363 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:366 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:368 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:370 -msgid "simulate multi-touch using the mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:372 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:374 -msgid "pick an atom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:376 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:378 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:380 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:387 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:390 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:393 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:396 -msgid "pop up the full context menu" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:398 -msgid "reset (when clicked off the model)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:399 -msgid "rotate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:401 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:403 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:404 -msgid "rotate Z" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:409 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:410 -#, java-format -msgid "select an atom (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:413 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:415 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:418 -#, java-format -msgid "select NONE (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:420 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:423 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:430 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:433 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:435 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:437 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:439 -msgid "zoom (along right edge of window)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:445 -#, java-format -msgid "" -"click on two points to spin around axis counterclockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:448 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:451 -#, java-format -msgid "stop motion (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:456 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:457 -msgid "translate" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:458 -msgid "zoom" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:2072 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:2073 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:2077 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:2079 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:654 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:655 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:710 -#, java-format -msgid "Setting log file to {0}" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:712 -msgid "Cannot set log file path." -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:95 -#: org/jmol/viewer/SelectionManager.java:104 -#, java-format -msgid "{0} atoms hidden" -msgstr "" - -#: org/jmol/viewer/SelectionManager.java:168 -#, java-format -msgid "{0} atoms selected" -msgstr "" - -#: org/jmol/viewer/Viewer.java:4849 -msgid "Drag to move label" -msgstr "" - -#: org/jmol/viewer/Viewer.java:8730 -msgid "clipboard is not accessible -- use signed applet" -msgstr "" - -#: org/jmol/viewer/Viewer.java:10098 -#, java-format -msgid "{0} hydrogens added" -msgstr "" diff --git a/qmpy/web/static/js/jsmol/idioma/zh_CN.po b/qmpy/web/static/js/jsmol/idioma/zh_CN.po deleted file mode 100644 index 4322a0ee..00000000 --- a/qmpy/web/static/js/jsmol/idioma/zh_CN.po +++ /dev/null @@ -1,2623 +0,0 @@ -# Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2009 -# This file is distributed under the same license as the jmol package. -# Li Anbang , 2010. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: Wang Dianjin \n" -"Language-Team: Simplified Chinese \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "元素？" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol 脚本控制å°" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "文件" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "关闭" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "帮助(&H)" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "查找 (&S)" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "命令 (&C)" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "æ•°å­¦åŠå‡½æ•°" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "设定å‚æ•° (&P)" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "更多(&M)" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "编辑器" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "状æ€" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "è¿è¡Œ" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "清空输出" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "清空输入" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "æµè§ˆåŽ†å²" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "载入" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "按 CTRL-ENTER 新增一行，或粘贴分å­æ¨¡åž‹æ•°æ®å¹¶ç‚¹å‡» 载入。" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"ä¿¡æ¯ä¼šæ˜¾ç¤ºäºŽæ­¤ã€‚在下方窗å£ä¸­é”®å…¥å‘½ä»¤ã€‚点击控制å°çš„帮助(Help)èœå•å¯å¾—到在线帮" -"助信æ¯ï¼ˆæ–°çª—å£ä¸­æ˜¾ç¤ºï¼‰ã€‚" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol 脚本编辑器" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "控制å°" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "打开" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "正视" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "脚本" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "勾选" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "回到顶端" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "步进" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "æš‚åœ" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "继续" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "åœæ­¢" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "全部清除" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "关闭" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "文件或网å€(URL)：" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "图片格å¼" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG å“è´¨ ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG 压缩 ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG å“è´¨ ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "确定" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "å¦" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "是å¦è¦†ç›–现有文件 {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "警告" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "所有文件" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "å–消" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "å–消文件选择对è¯æ¡†" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "详细资料" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "目录" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "打开已选择的目录" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "属性" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "已修改" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "一般文件" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "å称" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "文件å：" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "文件大å°" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "文件类型" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "类型" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "帮助" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "文件选择器帮助" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "用户主目录" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "清å•" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "查找ä½ç½®ï¼š" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "创建文件夹出错" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "新文件夹" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "新建文件夹" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "打开已选定的文件" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "ä¿å­˜" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "ä¿å­˜å·²é€‰å®šçš„文件" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "ä¿å­˜ä½ç½®ï¼š" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "æ›´æ–°" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "更新目录列表" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "å‘上" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "å‘上æå‡ä¸€å±‚" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "确定" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "预览" - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "附加模型" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"注æ„：骨架酰胺氢原å­ä½ç½®å­˜åœ¨ï¼Œå°†ä¼šè¢«å¿½ç•¥ã€‚它们的ä½ç½®å°†è¢«è¿‘似化，象标准DSSP分" -"æžä¸­ä¸€æ ·ã€‚\n" -"使用 {0} 以åœæ­¢ä½¿ç”¨è¿™ç§è¿‘似化。\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"注æ„：骨架酰胺的氢原å­ä½ç½®å­˜åœ¨å¹¶å°†è¢«ä½¿ç”¨ã€‚结果å¯èƒ½ä¸Žæ ‡å‡†DSSP分æžå·®åˆ«å¾ˆå¤§ã€‚\n" -"使用 {0} å¯ä»¥å¿½ç•¥è¿™äº›æ°¢åŽŸå­çš„ä½ç½®ã€‚\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "阿拉伯语" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "阿斯图里亚斯语" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "波斯尼亚语" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "加泰隆语" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "æ·å…‹è¯­" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "丹麦语" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "德语" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "希腊语" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "澳大利亚英语" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "英å¼è‹±è¯­" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "美å¼è‹±è¯­" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "西ç­ç‰™è¯­" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "爱沙尼亚语" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "芬兰语" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "法罗斯语" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "法语" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "弗里斯兰语" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "加利西亚语" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "克罗地亚语" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "匈牙利语" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "亚美尼亚语" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "å°åº¦å°¼è¥¿äºšè¯­(Indonesian)" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "æ„大利语" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "日语" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "爪哇语" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "韩语" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "马æ¥è¯­" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "挪å¨æ³¢å…‹é»˜å°”语" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "è·å…°è¯­" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "欧希特语(Occitan)" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "波兰语" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "è‘¡è„牙语" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "巴西葡è„牙语" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "俄罗斯语" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "斯洛维尼亚语" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "塞尔维亚语" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "瑞典语" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "泰米尔语" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "æ³°å¢å›ºè¯­" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "土耳其语" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "ç»´å¾å°”语" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "乌克兰语" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "简体中文" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "ç¹ä½“中文" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "ä¸èƒ½èŽ·å¾—力场 {0} 的类别" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "没有选择任何原å­--ä¸éœ€å¤„ç†!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} 原å­å°†è¢«æœ€å°åŒ–" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "无法设定力场 {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "新建" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "撤消(Ctrl-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "é‡åš(Ctrl-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "居中" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "添加氢原å­" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "最å°åŒ–" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "固定氢原å­å¹¶æœ€å°åŒ–" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "清除" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "ä¿å­˜æ–‡ä»¶" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "ä¿å­˜çŠ¶æ€" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "å转环的立体化学" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "删除原å­" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "拖拽æˆé”®" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "拖动原å­" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "拖动原å­(并最å°åŒ–)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "拖拽并最å°åŒ–分å­(docking)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "增加电è·" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "å‡å°‘电è·" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "删除键" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "å•ä»·" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "二价" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "三价" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "æ高次åº" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "é™ä½Žæ¬¡åº" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "旋转键(Shift-拖动)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "退出建模工具(modelkit)模å¼" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "空间群" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "æ— " - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "全部" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0} 个处ç†å™¨" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "å…± {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "最大 {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol 脚本控制å°" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "鼠标使用手册" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "翻译" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "系统" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "未载入原å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "设置" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "元素" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "模型/框架" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "语言" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "æ ¹æ®æ®‹åŸºå称排列" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "æ ¹æ® HETATM 排列" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "分å­è½¨é“ ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "对称性" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "分å­æ¨¡åž‹çš„ä¿¡æ¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "选择 ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "所有{0}模型" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "设置 ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "{0} 模型的收集" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "原å­ï¼š{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "化学键：{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "基团：{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "链：{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "èšåˆç‰©ï¼š{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "模型{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "查看 {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "主选å•" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "生物分å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "åˆ†å­ {0} ({1} 个原å­)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "è½½å…¥åˆ†å­ {0} ({1} 个原å­)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "æ— " - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "åªæ˜¾ç¤ºå·±é€‰å–çš„" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "åå‘选å–" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "视图" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "正视" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "左视" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "å³è§†" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "底视" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "返回" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "è½´" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "è½´" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "è½´" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "è½´" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "è½´" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "è½´" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "蛋白质" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "骨架" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "侧链" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "æžæ€§æ®‹åŸº" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "éžæžæ€§æ®‹åŸº" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "碱性残基 (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "酸性残基 (-)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "ä¸å¸¦ç”µè·çš„残基" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "核的" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "碱" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT 对" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC 对" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU 对" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "二级结构" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "异质的(Hetero)" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "全部的 PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "全部溶剂" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "全部的水" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "éžæ°´æº¶å‰‚" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "éžæ°´æº¶æ¶²çš„ HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "é…体" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "碳水化åˆç‰©" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "以上皆éž" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "æ ·å¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "方案" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK 空间填充" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "çƒï¼æ£" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "棒状" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "线框" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "å¡é€š" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "迹线" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "原å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "关闭" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% 范德åŽåŠ›" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "化学键" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "å¼€å¯" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "氢键" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "计算" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "设定氢键侧链" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "设定氢键骨架" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "二硫键" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "设定二硫键侧链" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "设定二硫键骨架" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "二级结构" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "å¡é€šç«ç®­" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "带状" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "ç«ç®­" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "ä¸å¸¦" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "振动" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "å‘é‡" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "光谱" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} åƒç´ " - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "刻度 {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "立体图形" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "红+é’ çŽ»ç’ƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "红+è“ çŽ»ç’ƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "红+è“ çŽ»ç’ƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "交å‰çœ¼æŸ¥çœ‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "八字眼查看" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "标记" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "标示元素符å·" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "标示原å­å称" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "标示原å­ç¼–å·" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "在原å­ä¸Šæ”¾ç½®æ ‡ç¤º" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "居中" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "å³ä¸Š" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "å³ä¸‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "左上" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "左下" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "颜色" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "按方案" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "元素(CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "å¯æ›¿æ¢çš„ä½ç½®" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "分å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "å½¢å¼ç”µè·" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "部份电è·" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "温度(相对)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "温度(固定)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "氨基酸" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "链" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "基团" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "å•ä½“" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "定形的" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "继承" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "黑色" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "白色" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "é’色" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "红色" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "橙色" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "黄色" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "绿色" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "è“色" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "é›è“" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "紫色" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "橙红色" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "橄榄色" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "è¤çº¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "ç°è‰²" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "石æ¿è“色" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "金色" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "谈紫色" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "ä¸é€æ˜Žæ•ˆæžœ" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "åŠé€æ˜Žæ•ˆæžœ" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "背景" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "表é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "è½´" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "边界盒" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "å•ä½æ™¶æ ¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "缩放" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "放大" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "缩å°" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "旋转" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "设定X轴速率" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "设定Y轴速率" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "设定Z轴速率" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "设定æ¯ç§’帧数(FPS)" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "动画" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "动画模å¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "播放一次" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "回文" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "循环播放" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "播放" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "åœæ­¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "下一格" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "上一格" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "倒带" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "åå‘" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "é‡æ–°å¼€å§‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "测é‡" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "åŒå‡»ä»¥å¼€å§‹åŠç»“æŸæ‰€æœ‰æµ‹é‡" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "点击以测é‡è·ç¦»" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "点击以测é‡è§’度" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "点击测é‡(两平é¢é—´çš„)转矩" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "点击两个原å­ï¼Œåœ¨æŽ§åˆ¶å°ä¸­æ˜¾ç¤ºä¸€ä¸ªåºåˆ—。" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "移除测é‡å€¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "列出测é‡å€¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "è·ç¦»å•ä½ 纳米" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "è·ç¦»å•ä½ Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "è·ç¦»å•ä½ 皮米" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "鼠标拾å–" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "居中显示" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "显示标识(ID)" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "显示标签" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "选择原å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "选择链" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "选择元素" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "退出建模工具(modelkit)模å¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "选择基团" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "选择分å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "选择ä½ç‚¹" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "显示对称性æ“作" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "显示" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol 脚本控制å°" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "文件内容" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "文件头" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "ç­‰é¢çš„ JVXL资料" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "分å­è½¨é“çš„ JVXL 资料" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "模型" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "æ–¹å‘" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "空间群" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "当å‰çŠ¶æ€" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "文件" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "é‡æ–°è½½å…¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "从 PDB 中打开" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "打开已选定的文件" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "打开" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "载入全部晶格" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "打开脚本" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "ä¿å­˜ {0} 的副本" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "ä¿å­˜è„šæœ¬åŠçŠ¶æ€" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "ä¿å­˜è„šæœ¬åŠåŽ†å²" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "导出 {0} 图åƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "全部ä¿å­˜ä¸ºJmol文件(zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "ä¿å­˜ JVXL 等值é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "导出 {0} 3D 模型" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "计算" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "优化结构" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "建模工具" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "æå– MOL æ•°æ®" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "点状表é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "范德åŽè¡¨é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "分å­è¡¨é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "æº¶å‰‚è¡¨é¢ ({0} Ã… 的探针)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "溶剂å¯åŠè¡¨é¢ (范德åŽè¡¨é¢ + {0} Ã…)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "é‡æ–°è½½å…¥ {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "é‡æ–°è½½å…¥ {0} + 显示 {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "é‡æžè½½å…¥ + 多é¢ä½“" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "éšè—" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "点状" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "åƒç´ å®½åº¦" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} åƒç´ " - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "几 Ã… 宽度" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "显示选择光圈" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "显示氢原å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "显示测é‡ç»“æžœ" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "深度é€è§†" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMol 颜色" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "关于..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "脚本编译器错误： " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "éœ€è¦ x y z è½´" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "在显示背景模型时ä¸å…许 {0}" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "å‚数数目错误" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "米勒指数(Miller Index)ä¸å¯ä¸º 0" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "[R,G,B] 颜色值无效" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "需è¦å¸ƒå°”真å‡å€¼" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "需è¦å¸ƒå°”真å‡å€¼æˆ–数值" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "需è¦å¸ƒå°”真å‡å€¼ã€æ•°å€¼æˆ–{0}" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "无法设置值" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "需è¦é¢œè‰²" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "必须有颜色或调色盘å称 (Jmol, Rasmol)" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "需è¦æŒ‡ä»¤" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "必须有{x y z} 或 $name 或 (原å­è¡¨ç¤ºå¼)" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "未定义绘图对象" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "éžé¢„期的脚本命令结尾" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "需è¦æœ‰æ•ˆçš„原å­è¡¨è¾¾å¼" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "需è¦åŽŸå­è¡¨è¾¾å¼æˆ–æ•´æ•°" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "需è¦æ–‡ä»¶å" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "文件未找到" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "å‚æ•°ä¸ç›¸å®¹" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "缺少å‚æ•°" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "需è¦æ•´æ•°" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "整数超出({0} - {1})范围" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "无效å‚æ•°" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "å‚数顺åºæ— æ•ˆ" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "需è¦å…³é”®è¯" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "无分å­è½¨åŸŸ(MO)的系数数æ®å¯ç”¨" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "分å­è½¨åŸŸ(MO)索引值必须介在1到{0}之间" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "这个结构没有分å­è½¨åŸŸ(MO)的基底(basis)或å‚数资料å¯ç”¨" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "没有分å­è½¨åŸŸ(MO)çš„å æ®æ•°æ®å¯ç”¨" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "在这个文件中åªæœ‰ä¸€ä¸ªåˆ†å­è½¨åŸŸ(MO)å¯ç”¨" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0} è¦æ±‚åªæ˜¾ç¤ºä¸€ä¸ªæ¨¡åž‹" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "{0} è¦æ±‚仅有一个模型被加载" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "æ— å¯ç”¨æ•°æ®" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "未从文件中读å–到局部电è·ï¼›Jmol需è¦å®ƒä»¬æ¥ MEP æ•°æ®ã€‚" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "æ— å•ä½æ™¶æ ¼" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "需è¦æ•°å€¼" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "数值必需是({0} 或 {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "åè¿›ä½æ•°å€¼è¶…出({0} - {1})之间" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "'$'之åŽåº”该是对象å" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "需è¦æœ‰å¹³é¢â€”—3个点或原å­è¡¨ç¤ºå¼ï¼Œæˆ– {0} 或 {1} 或 {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "需è¦å±žæ€§å" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "空间群{0} 未å‘现" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "需è¦æœ‰åŠ å¼•å·çš„字符串" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "需è¦æœ‰åŠ å¼•å·çš„字符或标识符" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "指定了太多的旋转点" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "脚本层次太多" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "无法辩识的原å­å±žæ€§" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "无法辩识的化学键属性" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "无法辨识的指令" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "执行时无法辨识的表示å¼" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "无法辨识的对象" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "无法识别å‚数：{0}" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "Jmol 状æ€è„šæœ¬ä¸­å‚æ•° {0} 无法辨识" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "无法辨识 SHOW çš„å‚æ•° -- 使用{0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "写什么呢？{0} 或 {1} \"文件å\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "脚本错误： " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "己删除 {0} 个原å­" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0} 个氢键" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "已创建文件： {0}" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "上下文对 {0} 无效" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "éœ€è¦ {数值 数值 数值}" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "需è¦è¡¨è¾¾å¼ç»“å°¾" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "需è¦æ ‡è¯†ç¬¦æˆ–指定残基" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "指定原å­æ— æ•ˆ" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "指定键无效" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "表达å¼æ ‡è®°æ— æ•ˆï¼š{0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "指定模型无效" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "{0} 缺失 END 结æŸç¬¦" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "需è¦æ•°å­—或å˜é‡å" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "需è¦æŒ‡å®šæ®‹åŸº (ALA, AL?, A*)" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "需è¦{0}" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "ä¸éœ€è¦ {0}" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "无法识别的表达å¼æ ‡è®°ï¼š{0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "无法识别标记：{0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "已增加 {0} struts" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "己删除 {0} 个连接" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} 个新化学键; {1} 个己修改" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "点击出现èœå•..." - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet 版本 {0} {1}.\n" -"\n" -"OpenScience 计划.\n" -"\n" -"更多信æ¯è¯·å‚阅 http://www.jmol.org" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "文件错误：" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "指定/新建原å­æˆ–é”® (éœ€è¦ {0} )" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "å•å‡ºæœ€è¿‘的上下文èœå•ï¼ˆç›´æŽ¥ç‚¹å‡»Jmol）" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "åˆ é™¤åŽŸå­ (éœ€è¦ {0} )" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "åˆ é™¤é”®ï¼ˆéœ€è¦ {0} ）" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "调整深度（åŽé¢æ¿ï¼›éœ€è¦ {0}）" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "ç§»åŠ¨åŽŸå­ (éœ€è¦ {0} )" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "移动整个 DRAW 对象 (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "移动特定 DRAW 点 (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "移动标记 (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "移动原å­å¹¶æœ€å°åŒ–åˆ†å­ (éœ€è¦ {0} )" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "移动并最å°åŒ–åˆ†å­ (éœ€è¦ {0} )" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "ç§»åŠ¨æ‰€é€‰åŽŸå­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "用鼠标模拟多点触控(multi-touch)" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "翻译导航点（需è¦{0} å’Œ{1}）" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "请选å–原å­" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "连接原å­ï¼ˆéœ€è¦ {0} ）" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "选å–一个等平é¢(Isosurface)点 (需è¦{0})" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "选å–一个标签在切æ¢å…¶æ˜¾ç¤º/éšè—(需è¦{0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "选å–一个原å­ä»¥æŠŠå®ƒåŒ…括在测é‡ä¸­ï¼ˆåœ¨å¼€å§‹ä¸€æ¬¡æµ‹é‡æˆ– {0} 之åŽï¼‰" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "拾å–一点或一个原å­ä»¥è¿›è¡Œå¯¼èˆªï¼ˆéœ€è¦ {0}）" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "è¯·é€‰å– DRAW 点 (以用测é‡) (需è¦{0})" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "弹出完整的上下文èœå•" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "é‡è®¾ï¼ˆå•å‡»å…³é—­æ¨¡åž‹æ—¶ï¼‰" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "旋转" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "ç»•é”®æ—‹è½¬ä¾§æž (éœ€è¦ {0} )" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "æ—‹è½¬æ‰€é€‰åŽŸå­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "绕 Z 轴旋转" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "旋转 Z （鼠标水平移动）或放大（鼠标垂直移动）" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "选择一个原å­ï¼ˆéœ€è¦{0}）" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "选择并拖动原å­ï¼ˆéœ€è¦ {0} ）" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "å–消选å–这群原å­ï¼ˆéœ€è¦ {0} ）" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "全都ä¸é€‰ï¼ˆéœ€è¦{0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "把这群原å­å¢žåŠ åˆ°å·²é€‰åŽŸå­é›†ä¸­ï¼ˆéœ€è¦ {0}）" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "切æ¢é€‰å–æ¨¡å¼ (éœ€è¦ {0} )" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "如果已全选，则å–消全选，å¦åˆ™æŠŠè¿™ç¾¤åŽŸå­å¢žåŠ åˆ°å·²é€‰å–原å­é›†ä¸­ï¼ˆéœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "选å–一个åˆå§‹åŽŸå­æˆ–结æŸæµ‹é‡" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "调整平æ¿ï¼ˆå‰é¢æ¿ï¼›éœ€è¦{0}）" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "移动平æ¿/深度窗å£ï¼ˆä¸¤ä¸ªå¹³é¢ï¼›éœ€è¦{0}）" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "缩放 (沿ç€çª—å£å³ä¾§)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "点击两点以绕轴逆时钟转动 (需è¦{0} )" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "点击两点以绕轴顺时钟转动 (需è¦{0} )" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "åœæ­¢æ´»åŠ¨ï¼ˆéœ€è¦ {0} ）" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "自旋模型(挥动并æ¾å¼€é¼ æ ‡é”®ï¼ŒåŒæ—¶åœæ­¢è¿åŠ¨)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "翻译" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "缩放" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "请å†å¤šé€‰ä¸€ä¸ªåŽŸå­æ¥ä½¿åˆ†å­å¯ä»¥ä¸€ä¸ªè½´æ—‹è½¬" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "选å–两个原å­ï¼Œä½¿åˆ†å­å¯ä»¥ç»•è½´è‡ªæ—‹" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "选择å¦ä¸€ä¸ªåŽŸå­ä»¥æ˜¾ç¤ºå¯¹ç§°æ€§å…³ç³»" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "选择两个原å­ä»¥æ˜¾ç¤ºå®ƒä»¬ä¹‹é—´çš„对称性关系" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "设定日志文件为 {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "无法设置日志文件路径" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "{0} 个原å­å·±éšè—" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "{0} 个原å­å·±é€‰å®š" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "拖拽移动标签" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "ä¸èƒ½å­˜å–剪贴æ¿â€”—请用使用签署过的å°ç¨‹åº (applet)" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} 个氢原å­å·²å¢žåŠ " - -#~ msgid "Hide Symmetry" -#~ msgstr "éšè—对称性" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "载入 Jmol å°ç¨‹åºä¸­ ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} 秒" - -#~ msgid "Java version:" -#~ msgstr "Java 版本:" - -#~ msgid "1 processor" -#~ msgstr "1 个处ç†å™¨" - -#~ msgid "unknown processor count" -#~ msgstr "未知 处ç†å™¨æ•°ç›®" - -#~ msgid "Java memory usage:" -#~ msgstr "Java 内存使用:" - -#~ msgid "{0} MB free" -#~ msgstr "{0} MB 未使用" - -#~ msgid "unknown maximum" -#~ msgstr "æžå¤§å€¼æœªçŸ¥" - -#~ msgid "Open file or URL" -#~ msgstr "打开文件或网å€(URL)" diff --git a/qmpy/web/static/js/jsmol/idioma/zh_TW.po b/qmpy/web/static/js/jsmol/idioma/zh_TW.po deleted file mode 100644 index 7f51893d..00000000 --- a/qmpy/web/static/js/jsmol/idioma/zh_TW.po +++ /dev/null @@ -1,2627 +0,0 @@ -# Traditional Chinese translation for jmol -# Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 -# This file is distributed under the same license as the jmol package. -# FIRST AUTHOR , 2009. -# -msgid "" -msgstr "" -"Project-Id-Version: jmol\n" -"Report-Msgid-Bugs-To: jmol-developers@lists.sourceforge.net\n" -"POT-Creation-Date: 2015-12-23 20:33+0100\n" -"PO-Revision-Date: 2013-06-02 18:20+0000\n" -"Last-Translator: iychiang \n" -"Language-Team: Traditional Chinese \n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"X-Launchpad-Export-Date: 2013-10-10 00:57+0000\n" -"X-Generator: Launchpad (build 16799)\n" - -#: org/jmol/awt/FileDropper.java:106 -msgid "Would you like to replace the current model with the selected model?" -msgstr "" - -#: org/jmol/awtjs2d/JSModelKitPopup.java:89 -#: org/jmol/modelkit/ModelKitPopup.java:72 -msgid "Element?" -msgstr "元素?" - -#: org/jmol/console/GenericConsole.java:54 -msgid "Jmol Script Console" -msgstr "Jmol Script 主控å°" - -#: org/jmol/console/GenericConsole.java:90 -msgid "&Save As..." -msgstr "" - -#: org/jmol/console/GenericConsole.java:91 -#, fuzzy -msgid "&File" -msgstr "檔案" - -#: org/jmol/console/GenericConsole.java:92 -#, fuzzy -msgid "&Close" -msgstr "關閉" - -#: org/jmol/console/GenericConsole.java:97 -msgid "&Help" -msgstr "說明(&H)" - -#: org/jmol/console/GenericConsole.java:98 -msgid "&Search..." -msgstr "æœå°‹ (&S)" - -#: org/jmol/console/GenericConsole.java:99 -msgid "&Commands" -msgstr "指令 (&C)" - -#: org/jmol/console/GenericConsole.java:100 -msgid "Math &Functions" -msgstr "數學åŠå‡½æ•¸" - -#: org/jmol/console/GenericConsole.java:101 -msgid "Set &Parameters" -msgstr "設定åƒæ•¸ (&P)" - -#: org/jmol/console/GenericConsole.java:102 -msgid "&More" -msgstr "更多(&M)" - -#: org/jmol/console/GenericConsole.java:103 -msgid "Editor" -msgstr "編輯器" - -#: org/jmol/console/GenericConsole.java:104 -msgid "State" -msgstr "狀態" - -#: org/jmol/console/GenericConsole.java:105 -#: org/jmol/console/ScriptEditor.java:148 -msgid "Run" -msgstr "執行" - -#: org/jmol/console/GenericConsole.java:106 -msgid "Clear Output" -msgstr "清空輸出" - -#: org/jmol/console/GenericConsole.java:107 -msgid "Clear Input" -msgstr "清空輸入" - -#: org/jmol/console/GenericConsole.java:108 -#: org/jmol/popup/MainPopupResourceBundle.java:608 -msgid "History" -msgstr "ç€è¦½ç´€éŒ„" - -#: org/jmol/console/GenericConsole.java:109 -#: org/jmol/popup/MainPopupResourceBundle.java:619 -msgid "Load" -msgstr "載入" - -#: org/jmol/console/GenericConsole.java:111 -msgid "press CTRL-ENTER for new line or paste model data and press Load" -msgstr "" -"按下 CTRL-ENTER 來新增一行，或貼上分å­æ¨¡åž‹è³‡æ–™ç„¶å¾Œé»žæ“Š 載入 (Load) é¸é …。" - -#: org/jmol/console/GenericConsole.java:113 -msgid "" -"Messages will appear here. Enter commands in the box below. Click the " -"console Help menu item for on-line help, which will appear in a new browser " -"window." -msgstr "" -"訊æ¯æœƒé¡¯ç¤ºæ–¼æ­¤ã€‚在以下的視窗中å¯ä»¥è¼¸å…¥æŒ‡ä»¤ã€‚線上的求助訊æ¯å¯ä»¥é»žæ“Šä¸»æŽ§å°ä¸Šçš„ " -"求助(Help) é¸å–®ï¼Œæ±‚助訊æ¯å°±å¯ä»¥å†æ–°çš„ç€ç å™¨è¦–窗中顯示。" - -#: org/jmol/console/ScriptEditor.java:107 -msgid "Jmol Script Editor" -msgstr "Jmol指令稿編輯器" - -#: org/jmol/console/ScriptEditor.java:140 -#: org/jmol/popup/MainPopupResourceBundle.java:604 -msgid "Console" -msgstr "主控å°" - -#: org/jmol/console/ScriptEditor.java:142 org/jmol/dialog/Dialog.java:455 -#: org/jmol/dialog/Dialog.java:479 org/jmol/dialog/Dialog.java:482 -msgid "Open" -msgstr "é–‹å•Ÿ" - -#: org/jmol/console/ScriptEditor.java:143 -#, fuzzy -msgid "Font" -msgstr "å‰é¢" - -#: org/jmol/console/ScriptEditor.java:144 -msgid "Script" -msgstr "指令稿" - -#: org/jmol/console/ScriptEditor.java:145 -msgid "Check" -msgstr "勾é¸" - -#: org/jmol/console/ScriptEditor.java:146 -msgid "Top[as in \"go to the top\" - (translators: remove this bracketed part]" -msgstr "回到頂端" - -#: org/jmol/console/ScriptEditor.java:147 -msgid "Step" -msgstr "步進" - -#: org/jmol/console/ScriptEditor.java:149 -#: org/jmol/popup/MainPopupResourceBundle.java:559 -msgid "Pause" -msgstr "æš«åœ" - -#: org/jmol/console/ScriptEditor.java:151 -#: org/jmol/popup/MainPopupResourceBundle.java:560 -msgid "Resume" -msgstr "繼續" - -#: org/jmol/console/ScriptEditor.java:153 -msgid "Halt" -msgstr "åœæ­¢" - -#: org/jmol/console/ScriptEditor.java:155 -msgid "Clear" -msgstr "全部清除" - -#: org/jmol/console/ScriptEditor.java:156 -msgid "Close" -msgstr "關閉" - -#: org/jmol/dialog/Dialog.java:94 -msgid "File or URL:" -msgstr "檔案 或 è¶…é€£çµ (URL)：" - -#: org/jmol/dialog/Dialog.java:275 -msgid "Image Type" -msgstr "圖片格å¼" - -#: org/jmol/dialog/Dialog.java:290 org/jmol/dialog/Dialog.java:332 -#, java-format -msgid "JPEG Quality ({0})" -msgstr "JPEG å“質 ({0})" - -#: org/jmol/dialog/Dialog.java:304 -#, java-format -msgid "PNG Compression ({0})" -msgstr "PNG 壓縮 ({0})" - -#: org/jmol/dialog/Dialog.java:335 -#, java-format -msgid "PNG Quality ({0})" -msgstr "PNG å“質 ({0})" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:498 -msgid "Yes" -msgstr "確定" - -#: org/jmol/dialog/Dialog.java:385 org/jmol/dialog/Dialog.java:496 -msgid "No" -msgstr "å¦" - -#: org/jmol/dialog/Dialog.java:387 -#, java-format -msgid "Do you want to overwrite file {0}?" -msgstr "你真的è¦è¦†å¯«é€™æª”案 {0}?" - -#: org/jmol/dialog/Dialog.java:388 -msgid "Warning" -msgstr "警告" - -#: org/jmol/dialog/Dialog.java:447 -msgid "All Files" -msgstr "所有檔案" - -#: org/jmol/dialog/Dialog.java:448 org/jmol/dialog/Dialog.java:495 -msgid "Cancel" -msgstr "å–消" - -#: org/jmol/dialog/Dialog.java:450 -msgid "Abort file chooser dialog" -msgstr "離開檔案é¸æ“‡å°è©±æ¡†" - -#: org/jmol/dialog/Dialog.java:452 org/jmol/dialog/Dialog.java:453 -msgid "Details" -msgstr "詳細資料" - -#: org/jmol/dialog/Dialog.java:454 -msgid "Directory" -msgstr "資料夾" - -#: org/jmol/dialog/Dialog.java:457 -msgid "Open selected directory" -msgstr "開始é¸æ“‡äº†çš„資料夾" - -#: org/jmol/dialog/Dialog.java:458 -msgid "Attributes" -msgstr "屬性" - -#: org/jmol/dialog/Dialog.java:459 -msgid "Modified" -msgstr "已修改" - -#: org/jmol/dialog/Dialog.java:460 -msgid "Generic File" -msgstr "一般檔案" - -#: org/jmol/dialog/Dialog.java:461 -msgid "Name" -msgstr "å稱" - -#: org/jmol/dialog/Dialog.java:462 -msgid "File Name:" -msgstr "檔å：" - -#: org/jmol/dialog/Dialog.java:463 -msgid "Size" -msgstr "檔案大å°" - -#: org/jmol/dialog/Dialog.java:464 -msgid "Files of Type:" -msgstr "類型檔" - -#: org/jmol/dialog/Dialog.java:465 -msgid "Type" -msgstr "é¡žåž‹" - -#: org/jmol/dialog/Dialog.java:466 -msgid "Help" -msgstr "說明" - -#: org/jmol/dialog/Dialog.java:468 -msgid "FileChooser help" -msgstr "檔案é¸æ“‡å™¨èªªæ˜Ž" - -#: org/jmol/dialog/Dialog.java:469 org/jmol/dialog/Dialog.java:470 -msgid "Home" -msgstr "家目錄" - -#: org/jmol/dialog/Dialog.java:471 org/jmol/dialog/Dialog.java:472 -msgid "List" -msgstr "清單" - -#: org/jmol/dialog/Dialog.java:473 -msgid "Look In:" -msgstr "æœç´¢" - -#: org/jmol/dialog/Dialog.java:475 -msgid "Error creating new folder" -msgstr "新增資料夾錯誤" - -#: org/jmol/dialog/Dialog.java:476 -msgid "New Folder" -msgstr "新資料夾" - -#: org/jmol/dialog/Dialog.java:478 -msgid "Create New Folder" -msgstr "建立新資料夾" - -#: org/jmol/dialog/Dialog.java:481 -msgid "Open selected file" -msgstr "開始己é¸çš„檔案" - -#: org/jmol/dialog/Dialog.java:483 org/jmol/dialog/Dialog.java:486 -#: org/jmol/popup/MainPopupResourceBundle.java:620 -msgid "Save" -msgstr "儲存" - -#: org/jmol/dialog/Dialog.java:485 -msgid "Save selected file" -msgstr "儲存己é¸çš„檔案" - -#: org/jmol/dialog/Dialog.java:487 -msgid "Save In:" -msgstr "存在：" - -#: org/jmol/dialog/Dialog.java:488 -msgid "Update" -msgstr "æ›´æ–°" - -#: org/jmol/dialog/Dialog.java:490 -msgid "Update directory listing" -msgstr "更新資料夾列表" - -#: org/jmol/dialog/Dialog.java:491 -msgid "Up" -msgstr "å‘上" - -#: org/jmol/dialog/Dialog.java:492 -msgid "Up One Level" -msgstr "å‘上æå‡ä¸€å±¤" - -#: org/jmol/dialog/Dialog.java:497 -msgid "OK" -msgstr "確定" - -#: org/jmol/dialog/FilePreview.java:77 -msgid "Preview" -msgstr "é ç " - -#: org/jmol/dialog/FilePreview.java:98 -msgid "Append models" -msgstr "附加模型" - -#: org/jmol/dialog/FilePreview.java:100 -msgid "PDB cartoons" -msgstr "" - -#: org/jmol/dssx/DSSP.java:288 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be ignored. " -"Their positions will be approximated, as in standard DSSP analysis.\n" -"Use {0} to not use this approximation.\n" -"\n" -msgstr "" -"注æ„：主幹上的å«æ°®åŸºä¸­æ°«åŽŸå­çš„ä½ç½®æ˜¯é¡¯ç¾çš„而且在逼近計算中將會被乎略。在標準" -"çš„ DSSP 逼近法分æžä¸­ï¼Œæ°«åŽŸå­çš„ä½ç½®å°‡æ˜¯é¡¯ç¾åœ¨å¤§ç´„ä½ç½®è€Œå·±ã€‚使用 {0} é¸é …å°±ä¸æŽ¡" -"用這樣的逼近法來計算。\n" -"\n" - -#: org/jmol/dssx/DSSP.java:294 -#, java-format -msgid "" -"NOTE: Backbone amide hydrogen positions are present and will be used. " -"Results may differ significantly from standard DSSP analysis.\n" -"Use {0} to ignore these hydrogen positions.\n" -"\n" -msgstr "" -"注æ„：主幹上的å«æ°®åŸºä¸­æ°«åŽŸå­çš„ä½ç½®æ˜¯é¡¯ç¾çš„而且將會被引入逼近計算中。計算的çµ" -"æžœå¯èƒ½å’Œæ¨™æº–çš„ DSSP 法的çµæžœæœ‰è‘—顯著的ä¸åŒã€‚使用 {0} é¸é …則ä¸æŽ¡è¨ˆé€™äº›æ°«åŽŸå­çš„" -"ä½ç½®ã€‚\n" -"\n" - -#: org/jmol/i18n/Language.java:77 -msgid "Arabic" -msgstr "阿拉伯文" - -#: org/jmol/i18n/Language.java:78 -msgid "Asturian" -msgstr "亞斯圖語" - -#: org/jmol/i18n/Language.java:79 -msgid "Azerbaijani" -msgstr "" - -#: org/jmol/i18n/Language.java:80 -msgid "Bosnian" -msgstr "波士尼亞語" - -#: org/jmol/i18n/Language.java:81 -msgid "Catalan" -msgstr "加泰隆文" - -#: org/jmol/i18n/Language.java:82 -msgid "Czech" -msgstr "æ·å…‹æ–‡" - -#: org/jmol/i18n/Language.java:83 -msgid "Danish" -msgstr "丹麥文" - -#: org/jmol/i18n/Language.java:84 -msgid "German" -msgstr "å¾·æ–‡" - -#: org/jmol/i18n/Language.java:85 -msgid "Greek" -msgstr "希臘文" - -#: org/jmol/i18n/Language.java:86 -msgid "Australian English" -msgstr "澳洲å¼è‹±æ–‡" - -#: org/jmol/i18n/Language.java:87 -msgid "British English" -msgstr "英å¼è‹±æ–‡" - -#: org/jmol/i18n/Language.java:88 -msgid "American English" -msgstr "美語" - -#: org/jmol/i18n/Language.java:89 -msgid "Spanish" -msgstr "西ç­ç‰™æ–‡" - -#: org/jmol/i18n/Language.java:90 -msgid "Estonian" -msgstr "愛沙尼亞文" - -#: org/jmol/i18n/Language.java:91 -msgid "Basque" -msgstr "" - -#: org/jmol/i18n/Language.java:92 -msgid "Finnish" -msgstr "芬蘭語" - -#: org/jmol/i18n/Language.java:93 -msgid "Faroese" -msgstr "法羅語" - -#: org/jmol/i18n/Language.java:94 -msgid "French" -msgstr "法文" - -#: org/jmol/i18n/Language.java:95 -msgid "Frisian" -msgstr "夫里斯蘭語" - -#: org/jmol/i18n/Language.java:96 -msgid "Galician" -msgstr "加里斯亞語" - -#: org/jmol/i18n/Language.java:97 -msgid "Croatian" -msgstr "克羅埃西亞語" - -#: org/jmol/i18n/Language.java:98 -msgid "Hungarian" -msgstr "匈牙利文" - -#: org/jmol/i18n/Language.java:99 -msgid "Armenian" -msgstr "亞美尼亞語" - -#: org/jmol/i18n/Language.java:100 -msgid "Indonesian" -msgstr "å°å°¼èªž" - -#: org/jmol/i18n/Language.java:101 -msgid "Italian" -msgstr "義大利文" - -#: org/jmol/i18n/Language.java:102 -msgid "Japanese" -msgstr "日語" - -#: org/jmol/i18n/Language.java:103 -msgid "Javanese" -msgstr "爪哇語" - -#: org/jmol/i18n/Language.java:104 -msgid "Korean" -msgstr "韓文" - -#: org/jmol/i18n/Language.java:105 -msgid "Malay" -msgstr "馬來語" - -#: org/jmol/i18n/Language.java:106 -msgid "Norwegian Bokmal" -msgstr "挪å¨æ³¢å…‹é»˜çˆ¾èªž (Bokmal)" - -#: org/jmol/i18n/Language.java:107 -msgid "Dutch" -msgstr "è·è˜­æ–‡" - -#: org/jmol/i18n/Language.java:108 -msgid "Occitan" -msgstr "æ­å¸Œç‰¹èªž (Occitan)" - -#: org/jmol/i18n/Language.java:109 -msgid "Polish" -msgstr "波蘭文" - -#: org/jmol/i18n/Language.java:110 -msgid "Portuguese" -msgstr "è‘¡è„牙文" - -#: org/jmol/i18n/Language.java:111 -msgid "Brazilian Portuguese" -msgstr "巴西葡è„牙文" - -#: org/jmol/i18n/Language.java:112 -msgid "Russian" -msgstr "俄羅斯文" - -#: org/jmol/i18n/Language.java:113 -msgid "Slovenian" -msgstr "斯洛維尼亞文" - -#: org/jmol/i18n/Language.java:114 -msgid "Serbian" -msgstr "塞爾維亞語" - -#: org/jmol/i18n/Language.java:115 -msgid "Swedish" -msgstr "瑞典文" - -#: org/jmol/i18n/Language.java:116 -msgid "Tamil" -msgstr "å¦ç±³çˆ¾èªž" - -#: org/jmol/i18n/Language.java:117 -msgid "Telugu" -msgstr "泰盧固文" - -#: org/jmol/i18n/Language.java:118 -msgid "Turkish" -msgstr "土耳其文" - -#: org/jmol/i18n/Language.java:119 -msgid "Uyghur" -msgstr "" - -#: org/jmol/i18n/Language.java:120 -msgid "Ukrainian" -msgstr "çƒå…‹è˜­æ–‡" - -#: org/jmol/i18n/Language.java:121 -msgid "Uzbek" -msgstr "" - -#: org/jmol/i18n/Language.java:122 -msgid "Simplified Chinese" -msgstr "簡體中文" - -#: org/jmol/i18n/Language.java:123 -msgid "Traditional Chinese" -msgstr "ç¹é«”中文" - -#: org/jmol/minimize/Minimizer.java:221 -#, java-format -msgid "Could not get class for force field {0}" -msgstr "ä¸èƒ½å–得力場{0}的類別" - -#: org/jmol/minimize/Minimizer.java:227 -msgid "No atoms selected -- nothing to do!" -msgstr "沒有é¸æ“‡ä»»ä½•åŽŸå­--ä¸éœ€è™•ç†!" - -#: org/jmol/minimize/Minimizer.java:312 -#, java-format -msgid "{0} atoms will be minimized." -msgstr "{0} 原å­å°‡è¢«æœ€å°åŒ–" - -#: org/jmol/minimize/Minimizer.java:327 -#, java-format -msgid "could not setup force field {0}" -msgstr "無法設定力埸 {0}" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:88 -msgid "new" -msgstr "æ–°" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:89 -msgid "undo (CTRL-Z)" -msgstr "上一步 (CTRL-Z)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:90 -msgid "redo (CTRL-Y)" -msgstr "下一步 (CTRL-Y)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:91 -#: org/jmol/viewer/ActionManager.java:233 -msgid "center" -msgstr "置中" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:92 -msgid "add hydrogens" -msgstr "加上氫" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:93 -msgid "minimize" -msgstr "最å°åŒ–" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:94 -msgid "fix hydrogens and minimize" -msgstr "固定氫以åŠæœ€å°åŒ–" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:95 -msgid "clear" -msgstr "清除" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:96 -msgid "save file" -msgstr "存檔" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:97 -msgid "save state" -msgstr "儲存狀態" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:98 -msgid "invert ring stereochemistry" -msgstr "顛倒環的立體化學" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:99 -msgid "delete atom" -msgstr "移除原å­" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:100 -msgid "drag to bond" -msgstr "拖曳到éµ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:101 -msgid "drag atom" -msgstr "拖曳原å­" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:102 -msgid "drag atom (and minimize)" -msgstr "æ‹–æ›³åŽŸå­ (以åŠæœ€å°åŒ–)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:103 -msgid "drag molecule (ALT to rotate)" -msgstr "" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:104 -msgid "drag and minimize molecule (docking)" -msgstr "拖曳åŠåˆ†å­æœ€å°åŒ– (å°æŽ¥)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:113 -msgid "increase charge" -msgstr "增加電è·" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:114 -msgid "decrease charge" -msgstr "減少電è·" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:115 -msgid "delete bond" -msgstr "移除éµ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:116 -msgid "single" -msgstr "å–®éµ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:117 -msgid "double" -msgstr "é›™éµ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:118 -msgid "triple" -msgstr "三éµ" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:119 -msgid "increase order" -msgstr "增加級數" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:120 -msgid "decrease order" -msgstr "減少級數" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:121 -msgid "rotate bond (SHIFT-DRAG)" -msgstr "讓éµæ—‹è½‰ (SHIFT-拖曳)" - -#: org/jmol/modelkit/ModelKitPopupResourceBundle.java:122 -msgid "exit modelkit mode" -msgstr "離開模型組工具模å¼" - -#: org/jmol/popup/JmolGenericPopup.java:754 -#: org/jmol/popup/MainPopupResourceBundle.java:287 -msgid "Space Group" -msgstr "空間群" - -#: org/jmol/popup/JmolGenericPopup.java:770 -#, fuzzy -msgid "none" -msgstr "ç„¡" - -#: org/jmol/popup/JmolGenericPopup.java:829 -#: org/jmol/popup/JmolGenericPopup.java:880 -#: org/jmol/popup/MainPopupResourceBundle.java:307 -#: org/jmol/popup/MainPopupResourceBundle.java:330 -#: org/jmol/popup/MainPopupResourceBundle.java:339 -#: org/jmol/popup/MainPopupResourceBundle.java:357 -msgid "All" -msgstr "全部" - -#: org/jmol/popup/JmolGenericPopup.java:991 -#, java-format -msgid "{0} processors" -msgstr "{0}個處ç†å™¨" - -#: org/jmol/popup/JmolGenericPopup.java:993 -#, java-format -msgid "{0} MB total" -msgstr "å…± {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:996 -#, java-format -msgid "{0} MB maximum" -msgstr "最多 {0} MB" - -#: org/jmol/popup/JmolGenericPopup.java:1050 -msgid "not capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:266 -#, fuzzy -msgid "Jmol Script Commands" -msgstr "Jmol Script 主控å°" - -#: org/jmol/popup/MainPopupResourceBundle.java:267 -msgid "Mouse Manual" -msgstr "滑鼠使用手冊" - -#: org/jmol/popup/MainPopupResourceBundle.java:268 -msgid "Translations" -msgstr "翻譯" - -#: org/jmol/popup/MainPopupResourceBundle.java:269 -msgid "System" -msgstr "系統" - -#: org/jmol/popup/MainPopupResourceBundle.java:276 -msgid "No atoms loaded" -msgstr "沒有載入原å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:277 -msgid "Configurations" -msgstr "é…ç½®" - -#: org/jmol/popup/MainPopupResourceBundle.java:278 -msgid "Element" -msgstr "元素" - -#: org/jmol/popup/MainPopupResourceBundle.java:279 -msgid "Model/Frame" -msgstr "模型/框架" - -#: org/jmol/popup/MainPopupResourceBundle.java:280 -msgid "Language" -msgstr "語言" - -#: org/jmol/popup/MainPopupResourceBundle.java:281 -#: org/jmol/popup/MainPopupResourceBundle.java:282 -#: org/jmol/popup/MainPopupResourceBundle.java:283 -msgid "By Residue Name" -msgstr "以å–代基å字排列" - -#: org/jmol/popup/MainPopupResourceBundle.java:284 -msgid "By HETATM" -msgstr "以 HETATM 排列" - -#: org/jmol/popup/MainPopupResourceBundle.java:285 -#, java-format -msgid "Molecular Orbitals ({0})" -msgstr "分å­è»ŒåŸŸ ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:286 -#: org/jmol/popup/MainPopupResourceBundle.java:615 -#: org/jmol/popup/MainPopupResourceBundle.java:675 -msgid "Symmetry" -msgstr "å°ç¨±" - -#: org/jmol/popup/MainPopupResourceBundle.java:288 -msgid "Model information" -msgstr "模型的資訊" - -#: org/jmol/popup/MainPopupResourceBundle.java:289 -#, java-format -msgid "Select ({0})" -msgstr "é¸æ“‡ ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:290 -#, java-format -msgid "All {0} models" -msgstr "所有{0}的模型" - -#: org/jmol/popup/MainPopupResourceBundle.java:291 -#, java-format -msgid "Configurations ({0})" -msgstr "é…ç½® ({0})" - -#: org/jmol/popup/MainPopupResourceBundle.java:292 -#, java-format -msgid "Collection of {0} models" -msgstr "{0}模型的收集" - -#: org/jmol/popup/MainPopupResourceBundle.java:293 -#, java-format -msgid "atoms: {0}" -msgstr "原å­ï¼š{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:294 -#, java-format -msgid "bonds: {0}" -msgstr "化學éµï¼š{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:295 -#, java-format -msgid "groups: {0}" -msgstr "官能基：{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:296 -#, java-format -msgid "chains: {0}" -msgstr "éˆï¼š{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:297 -#, java-format -msgid "polymers: {0}" -msgstr "èšåˆç‰©ï¼š{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:298 -#, java-format -msgid "model {0}" -msgstr "模型{0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:299 -#, java-format -msgid "View {0}" -msgstr "檢視 {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:300 -msgid "Main Menu" -msgstr "主é¸å–®" - -#: org/jmol/popup/MainPopupResourceBundle.java:301 -msgid "Biomolecules" -msgstr "生物分å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:302 -#, java-format -msgid "biomolecule {0} ({1} atoms)" -msgstr "ç”Ÿç‰©åˆ†å­ {0} ({1} 個原å­)" - -#: org/jmol/popup/MainPopupResourceBundle.java:303 -#, java-format -msgid "load biomolecule {0} ({1} atoms)" -msgstr "è¼‰å…¥ç”Ÿç‰©åˆ†å­ {0} ({1} 個原å­)" - -#: org/jmol/popup/MainPopupResourceBundle.java:308 -#: org/jmol/popup/MainPopupResourceBundle.java:442 -#: org/jmol/popup/MainPopupResourceBundle.java:451 -msgid "None" -msgstr "ç„¡" - -#: org/jmol/popup/MainPopupResourceBundle.java:309 -msgid "Display Selected Only" -msgstr "åªé¡¯ç¤ºå·±é¸å–çš„" - -#: org/jmol/popup/MainPopupResourceBundle.java:310 -msgid "Invert Selection" -msgstr "åå‘é¸å–" - -#: org/jmol/popup/MainPopupResourceBundle.java:312 -msgid "View" -msgstr "檢視" - -#: org/jmol/popup/MainPopupResourceBundle.java:313 -msgid "Best" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:314 -msgid "Front" -msgstr "å‰é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:315 -msgid "Left" -msgstr "左邊" - -#: org/jmol/popup/MainPopupResourceBundle.java:316 -msgid "Right" -msgstr "å³é‚Š" - -#: org/jmol/popup/MainPopupResourceBundle.java:317 -msgid "" -"Top[as in \"view from the top, from above\" - (translators: remove this " -"bracketed part]" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:318 -msgid "Bottom" -msgstr "底部" - -#: org/jmol/popup/MainPopupResourceBundle.java:319 -msgid "Back" -msgstr "返回" - -#: org/jmol/popup/MainPopupResourceBundle.java:320 -#, fuzzy -msgid "Axis x" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:321 -#, fuzzy -msgid "Axis y" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:322 -#, fuzzy -msgid "Axis z" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:323 -#, fuzzy -msgid "Axis a" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:324 -#, fuzzy -msgid "Axis b" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:325 -#, fuzzy -msgid "Axis c" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:327 -msgid "Scenes" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:329 -msgid "Protein" -msgstr "蛋白質" - -#: org/jmol/popup/MainPopupResourceBundle.java:331 -#: org/jmol/popup/MainPopupResourceBundle.java:342 -#: org/jmol/popup/MainPopupResourceBundle.java:413 -#: org/jmol/popup/MainPopupResourceBundle.java:511 -msgid "Backbone" -msgstr "骨幹" - -#: org/jmol/popup/MainPopupResourceBundle.java:332 -msgid "Side Chains" -msgstr "å´éˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:333 -msgid "Polar Residues" -msgstr "極性官能基" - -#: org/jmol/popup/MainPopupResourceBundle.java:334 -msgid "Nonpolar Residues" -msgstr "éžæ¥µæ€§å®˜èƒ½åŸº" - -#: org/jmol/popup/MainPopupResourceBundle.java:335 -msgid "Basic Residues (+)" -msgstr "鹼性官能基 (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:336 -msgid "Acidic Residues (-)" -msgstr "酸性官能基 (+)" - -#: org/jmol/popup/MainPopupResourceBundle.java:337 -msgid "Uncharged Residues" -msgstr "ä¸å¸¶é›»è·çš„官能基" - -#: org/jmol/popup/MainPopupResourceBundle.java:338 -msgid "Nucleic" -msgstr "原å­æ ¸çš„" - -#: org/jmol/popup/MainPopupResourceBundle.java:340 -msgid "DNA" -msgstr "DNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:341 -msgid "RNA" -msgstr "RNA" - -#: org/jmol/popup/MainPopupResourceBundle.java:343 -msgid "Bases" -msgstr "é¹¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:344 -msgid "AT pairs" -msgstr "AT å°" - -#: org/jmol/popup/MainPopupResourceBundle.java:345 -msgid "GC pairs" -msgstr "GC å°" - -#: org/jmol/popup/MainPopupResourceBundle.java:346 -msgid "AU pairs" -msgstr "AU å°" - -#: org/jmol/popup/MainPopupResourceBundle.java:347 -#: org/jmol/popup/MainPopupResourceBundle.java:477 -msgid "Secondary Structure" -msgstr "二級çµæ§‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:348 -msgid "Hetero" -msgstr "異質的" - -#: org/jmol/popup/MainPopupResourceBundle.java:349 -msgid "All PDB \"HETATM\"" -msgstr "全部的 PDB \"HETATM\"" - -#: org/jmol/popup/MainPopupResourceBundle.java:350 -msgid "All Solvent" -msgstr "所有的溶劑" - -#: org/jmol/popup/MainPopupResourceBundle.java:351 -msgid "All Water" -msgstr "所有的水" - -#: org/jmol/popup/MainPopupResourceBundle.java:353 -msgid "Nonaqueous Solvent" -msgstr "éžæ°´æº¶åŠ‘" - -#: org/jmol/popup/MainPopupResourceBundle.java:354 -msgid "Nonaqueous HETATM" -msgstr "éžæ°´æº¶æ¶²çš„ HETATM" - -#: org/jmol/popup/MainPopupResourceBundle.java:355 -msgid "Ligand" -msgstr "é…ä½åŸº" - -#: org/jmol/popup/MainPopupResourceBundle.java:358 -msgid "Carbohydrate" -msgstr "碳水化åˆç‰©" - -#: org/jmol/popup/MainPopupResourceBundle.java:359 -msgid "None of the above" -msgstr "以上皆éž" - -#: org/jmol/popup/MainPopupResourceBundle.java:361 -msgid "Style" -msgstr "樣å¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:362 -msgid "Scheme" -msgstr "骨架" - -#: org/jmol/popup/MainPopupResourceBundle.java:363 -msgid "CPK Spacefill" -msgstr "CPK 空間填充" - -#: org/jmol/popup/MainPopupResourceBundle.java:364 -msgid "Ball and Stick" -msgstr "çƒèˆ‡æ£’ (原å­èˆ‡éµ)" - -#: org/jmol/popup/MainPopupResourceBundle.java:365 -msgid "Sticks" -msgstr "éµ" - -#: org/jmol/popup/MainPopupResourceBundle.java:366 -msgid "Wireframe" -msgstr "線框" - -#: org/jmol/popup/MainPopupResourceBundle.java:367 -#: org/jmol/popup/MainPopupResourceBundle.java:414 -#: org/jmol/popup/MainPopupResourceBundle.java:513 -msgid "Cartoon" -msgstr "å¡é€š" - -#: org/jmol/popup/MainPopupResourceBundle.java:368 -#: org/jmol/popup/MainPopupResourceBundle.java:419 -#: org/jmol/popup/MainPopupResourceBundle.java:512 -msgid "Trace" -msgstr "追蹤" - -#: org/jmol/popup/MainPopupResourceBundle.java:370 -#: org/jmol/popup/MainPopupResourceBundle.java:464 -msgid "Atoms" -msgstr "原å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:371 -#: org/jmol/popup/MainPopupResourceBundle.java:380 -#: org/jmol/popup/MainPopupResourceBundle.java:389 -#: org/jmol/popup/MainPopupResourceBundle.java:401 -#: org/jmol/popup/MainPopupResourceBundle.java:412 -#: org/jmol/popup/MainPopupResourceBundle.java:422 -#: org/jmol/popup/MainPopupResourceBundle.java:430 -#: org/jmol/popup/MainPopupResourceBundle.java:537 -#: org/jmol/popup/MainPopupResourceBundle.java:588 -#: org/jmol/popup/MainPopupResourceBundle.java:673 -msgid "Off" -msgstr "關閉" - -#: org/jmol/popup/MainPopupResourceBundle.java:372 -#: org/jmol/popup/MainPopupResourceBundle.java:373 -#: org/jmol/popup/MainPopupResourceBundle.java:374 -#: org/jmol/popup/MainPopupResourceBundle.java:375 -#: org/jmol/popup/MainPopupResourceBundle.java:376 -#: org/jmol/popup/MainPopupResourceBundle.java:377 -#, java-format -msgid "{0}% van der Waals" -msgstr "{0}% 凡得瓦力" - -#: org/jmol/popup/MainPopupResourceBundle.java:379 -#: org/jmol/popup/MainPopupResourceBundle.java:507 -msgid "Bonds" -msgstr "éµ" - -#: org/jmol/popup/MainPopupResourceBundle.java:381 -#: org/jmol/popup/MainPopupResourceBundle.java:391 -#: org/jmol/popup/MainPopupResourceBundle.java:402 -#: org/jmol/popup/MainPopupResourceBundle.java:423 -#: org/jmol/popup/MainPopupResourceBundle.java:431 -#: org/jmol/popup/MainPopupResourceBundle.java:536 -msgid "On" -msgstr "é–‹å•Ÿ" - -#: org/jmol/popup/MainPopupResourceBundle.java:382 -#: org/jmol/popup/MainPopupResourceBundle.java:383 -#: org/jmol/popup/MainPopupResourceBundle.java:384 -#: org/jmol/popup/MainPopupResourceBundle.java:385 -#: org/jmol/popup/MainPopupResourceBundle.java:386 -#: org/jmol/popup/MainPopupResourceBundle.java:394 -#: org/jmol/popup/MainPopupResourceBundle.java:395 -#: org/jmol/popup/MainPopupResourceBundle.java:396 -#: org/jmol/popup/MainPopupResourceBundle.java:397 -#: org/jmol/popup/MainPopupResourceBundle.java:398 -#: org/jmol/popup/MainPopupResourceBundle.java:405 -#: org/jmol/popup/MainPopupResourceBundle.java:406 -#: org/jmol/popup/MainPopupResourceBundle.java:407 -#: org/jmol/popup/MainPopupResourceBundle.java:408 -#: org/jmol/popup/MainPopupResourceBundle.java:409 -#: org/jmol/popup/MainPopupResourceBundle.java:433 -#: org/jmol/popup/MainPopupResourceBundle.java:434 -#: org/jmol/popup/MainPopupResourceBundle.java:697 -#: org/jmol/popup/MainPopupResourceBundle.java:698 -#: org/jmol/popup/MainPopupResourceBundle.java:699 -#: org/jmol/popup/MainPopupResourceBundle.java:700 -#: org/jmol/popup/MainPopupResourceBundle.java:701 -#, java-format -msgid "{0} Ã…" -msgstr "{0} Ã…" - -#: org/jmol/popup/MainPopupResourceBundle.java:388 -#: org/jmol/popup/MainPopupResourceBundle.java:508 -msgid "Hydrogen Bonds" -msgstr "æ°«éµ" - -#: org/jmol/popup/MainPopupResourceBundle.java:390 -msgid "Calculate" -msgstr "計算" - -#: org/jmol/popup/MainPopupResourceBundle.java:392 -msgid "Set H-Bonds Side Chain" -msgstr "設定氫éµå´éˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:393 -msgid "Set H-Bonds Backbone" -msgstr "設定氫éµéª¨å¹¹" - -#: org/jmol/popup/MainPopupResourceBundle.java:400 -#: org/jmol/popup/MainPopupResourceBundle.java:509 -msgid "Disulfide Bonds" -msgstr "雙硫éµ" - -#: org/jmol/popup/MainPopupResourceBundle.java:403 -msgid "Set SS-Bonds Side Chain" -msgstr "設定雙硫éµå´éˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:404 -msgid "Set SS-Bonds Backbone" -msgstr "設定雙硫éµéª¨å¹¹" - -#: org/jmol/popup/MainPopupResourceBundle.java:411 -#: org/jmol/popup/MainPopupResourceBundle.java:510 -msgid "Structures" -msgstr "çµæ§‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:415 -msgid "Cartoon Rockets" -msgstr "Cartoon Rockets" - -#: org/jmol/popup/MainPopupResourceBundle.java:416 -#: org/jmol/popup/MainPopupResourceBundle.java:514 -msgid "Ribbons" -msgstr "帶狀" - -#: org/jmol/popup/MainPopupResourceBundle.java:417 -#: org/jmol/popup/MainPopupResourceBundle.java:515 -msgid "Rockets" -msgstr "Rockets" - -#: org/jmol/popup/MainPopupResourceBundle.java:418 -#: org/jmol/popup/MainPopupResourceBundle.java:516 -msgid "Strands" -msgstr "è‚¡" - -#: org/jmol/popup/MainPopupResourceBundle.java:421 -msgid "Vibration" -msgstr "振動" - -#: org/jmol/popup/MainPopupResourceBundle.java:426 -#: org/jmol/popup/MainPopupResourceBundle.java:470 -#: org/jmol/popup/MainPopupResourceBundle.java:520 -msgid "Vectors" -msgstr "å‘é‡" - -#: org/jmol/popup/MainPopupResourceBundle.java:427 -msgid "Spectra" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:428 -msgid "1H-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:429 -msgid "13C-NMR" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:432 -#, java-format -msgid "{0} pixels" -msgstr "{0} åƒç´ " - -#: org/jmol/popup/MainPopupResourceBundle.java:435 -#: org/jmol/popup/MainPopupResourceBundle.java:436 -#: org/jmol/popup/MainPopupResourceBundle.java:437 -#: org/jmol/popup/MainPopupResourceBundle.java:438 -#: org/jmol/popup/MainPopupResourceBundle.java:439 -#, java-format -msgid "Scale {0}" -msgstr "刻度 {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:441 -msgid "Stereographic" -msgstr "立體圖形" - -#: org/jmol/popup/MainPopupResourceBundle.java:443 -msgid "Red+Cyan glasses" -msgstr "ç´…+è—綠色玻璃" - -#: org/jmol/popup/MainPopupResourceBundle.java:444 -msgid "Red+Blue glasses" -msgstr "ç´…+è—玻璃" - -#: org/jmol/popup/MainPopupResourceBundle.java:445 -msgid "Red+Green glasses" -msgstr "ç´…+è—色玻璃" - -#: org/jmol/popup/MainPopupResourceBundle.java:446 -msgid "Cross-eyed viewing" -msgstr "斗眼觀賞 (Cross-eyed viewing)" - -#: org/jmol/popup/MainPopupResourceBundle.java:447 -msgid "Wall-eyed viewing" -msgstr "牆眼觀賞 (Wall-eyed viewing)" - -#: org/jmol/popup/MainPopupResourceBundle.java:449 -#: org/jmol/popup/MainPopupResourceBundle.java:517 -msgid "Labels" -msgstr "標記" - -#: org/jmol/popup/MainPopupResourceBundle.java:452 -msgid "With Element Symbol" -msgstr "標示元素符號" - -#: org/jmol/popup/MainPopupResourceBundle.java:453 -msgid "With Atom Name" -msgstr "標示原å­å稱" - -#: org/jmol/popup/MainPopupResourceBundle.java:454 -msgid "With Atom Number" -msgstr "標示原å­ç·¨è™Ÿ" - -#: org/jmol/popup/MainPopupResourceBundle.java:456 -msgid "Position Label on Atom" -msgstr "在原å­ä¸Šæ”¾ç½®æ¨™ç¤º" - -#: org/jmol/popup/MainPopupResourceBundle.java:457 -msgid "Centered" -msgstr "置中" - -#: org/jmol/popup/MainPopupResourceBundle.java:458 -msgid "Upper Right" -msgstr "å³ä¸Š" - -#: org/jmol/popup/MainPopupResourceBundle.java:459 -msgid "Lower Right" -msgstr "å³ä¸‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:460 -msgid "Upper Left" -msgstr "左上" - -#: org/jmol/popup/MainPopupResourceBundle.java:461 -msgid "Lower Left" -msgstr "左下" - -#: org/jmol/popup/MainPopupResourceBundle.java:463 -msgid "Color" -msgstr "é¡è‰²" - -#: org/jmol/popup/MainPopupResourceBundle.java:466 -msgid "By Scheme" -msgstr "ä¾çµæ§‹æŽ’列" - -#: org/jmol/popup/MainPopupResourceBundle.java:467 -msgid "Element (CPK)" -msgstr "元素(CPK)" - -#: org/jmol/popup/MainPopupResourceBundle.java:468 -msgid "Alternative Location" -msgstr "å¯æ›¿æ›çš„ä½ç½®" - -#: org/jmol/popup/MainPopupResourceBundle.java:469 -msgid "Molecule" -msgstr "分å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:471 -msgid "Formal Charge" -msgstr "å½¢å¼é›»è·" - -#: org/jmol/popup/MainPopupResourceBundle.java:472 -msgid "Partial Charge" -msgstr "部份電è·" - -#: org/jmol/popup/MainPopupResourceBundle.java:473 -msgid "Temperature (Relative)" -msgstr "溫度(相å°)" - -#: org/jmol/popup/MainPopupResourceBundle.java:474 -msgid "Temperature (Fixed)" -msgstr "溫度(固定)" - -#: org/jmol/popup/MainPopupResourceBundle.java:476 -msgid "Amino Acid" -msgstr "氨基酸" - -#: org/jmol/popup/MainPopupResourceBundle.java:478 -msgid "Chain" -msgstr "éˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:479 -msgid "Group" -msgstr "官能基" - -#: org/jmol/popup/MainPopupResourceBundle.java:480 -msgid "Monomer" -msgstr "單體" - -#: org/jmol/popup/MainPopupResourceBundle.java:481 -msgid "Shapely" -msgstr "定形的" - -#: org/jmol/popup/MainPopupResourceBundle.java:483 -msgid "Inherit" -msgstr "éºå‚³" - -#: org/jmol/popup/MainPopupResourceBundle.java:484 -msgid "Black" -msgstr "黑色" - -#: org/jmol/popup/MainPopupResourceBundle.java:485 -msgid "White" -msgstr "白色" - -#: org/jmol/popup/MainPopupResourceBundle.java:486 -msgid "Cyan" -msgstr "è—綠色" - -#: org/jmol/popup/MainPopupResourceBundle.java:488 -msgid "Red" -msgstr "紅色" - -#: org/jmol/popup/MainPopupResourceBundle.java:489 -msgid "Orange" -msgstr "橘色" - -#: org/jmol/popup/MainPopupResourceBundle.java:490 -msgid "Yellow" -msgstr "黃色" - -#: org/jmol/popup/MainPopupResourceBundle.java:491 -msgid "Green" -msgstr "綠色" - -#: org/jmol/popup/MainPopupResourceBundle.java:492 -msgid "Blue" -msgstr "è—色" - -#: org/jmol/popup/MainPopupResourceBundle.java:493 -msgid "Indigo" -msgstr "é›è—" - -#: org/jmol/popup/MainPopupResourceBundle.java:494 -msgid "Violet" -msgstr "紫色" - -#: org/jmol/popup/MainPopupResourceBundle.java:496 -msgid "Salmon" -msgstr "橙紅色" - -#: org/jmol/popup/MainPopupResourceBundle.java:497 -msgid "Olive" -msgstr "橄欖色" - -#: org/jmol/popup/MainPopupResourceBundle.java:498 -msgid "Maroon" -msgstr "è¤ç´…" - -#: org/jmol/popup/MainPopupResourceBundle.java:499 -msgid "Gray" -msgstr "ç°è‰²" - -#: org/jmol/popup/MainPopupResourceBundle.java:500 -msgid "Slate Blue" -msgstr "石æ¿è—色" - -#: org/jmol/popup/MainPopupResourceBundle.java:501 -msgid "Gold" -msgstr "金色" - -#: org/jmol/popup/MainPopupResourceBundle.java:502 -msgid "Orchid" -msgstr "淡紫色" - -#: org/jmol/popup/MainPopupResourceBundle.java:504 -#: org/jmol/popup/MainPopupResourceBundle.java:671 -msgid "Make Opaque" -msgstr "ä¸é€æ˜Žæ•ˆæžœ" - -#: org/jmol/popup/MainPopupResourceBundle.java:505 -#: org/jmol/popup/MainPopupResourceBundle.java:672 -msgid "Make Translucent" -msgstr "åŠé€æ˜Žæ•ˆæžœ" - -#: org/jmol/popup/MainPopupResourceBundle.java:518 -msgid "Background" -msgstr "背景" - -#: org/jmol/popup/MainPopupResourceBundle.java:519 -#: org/jmol/popup/MainPopupResourceBundle.java:662 -msgid "Surfaces" -msgstr "å¹³é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:521 -#: org/jmol/popup/MainPopupResourceBundle.java:683 -#: org/jmol/popup/MainPopupResourceBundle.java:709 -msgid "Axes" -msgstr "軸" - -#: org/jmol/popup/MainPopupResourceBundle.java:522 -#: org/jmol/popup/MainPopupResourceBundle.java:684 -#: org/jmol/popup/MainPopupResourceBundle.java:708 -msgid "Boundbox" -msgstr "有界盒" - -#: org/jmol/popup/MainPopupResourceBundle.java:523 -#: org/jmol/popup/MainPopupResourceBundle.java:659 -#: org/jmol/popup/MainPopupResourceBundle.java:685 -#: org/jmol/popup/MainPopupResourceBundle.java:710 -msgid "Unit cell" -msgstr "å–®ä½æ™¶æ ¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:525 -msgid "Zoom" -msgstr "縮放" - -#: org/jmol/popup/MainPopupResourceBundle.java:532 -msgid "Zoom In" -msgstr "放大" - -#: org/jmol/popup/MainPopupResourceBundle.java:533 -msgid "Zoom Out" -msgstr "縮å°" - -#: org/jmol/popup/MainPopupResourceBundle.java:535 -#: org/jmol/popup/MainPopupResourceBundle.java:601 -msgid "Spin" -msgstr "旋轉" - -#: org/jmol/popup/MainPopupResourceBundle.java:539 -msgid "Set X Rate" -msgstr "設定X軸速率" - -#: org/jmol/popup/MainPopupResourceBundle.java:540 -msgid "Set Y Rate" -msgstr "設定Y軸速率" - -#: org/jmol/popup/MainPopupResourceBundle.java:541 -msgid "Set Z Rate" -msgstr "設定Z軸速率" - -#: org/jmol/popup/MainPopupResourceBundle.java:542 -#: org/jmol/popup/MainPopupResourceBundle.java:568 -msgid "Set FPS" -msgstr "設定 FPS" - -#: org/jmol/popup/MainPopupResourceBundle.java:552 -msgid "Animation" -msgstr "å‹•ç•«" - -#: org/jmol/popup/MainPopupResourceBundle.java:553 -msgid "Animation Mode" -msgstr "動畫模å¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:554 -msgid "Play Once" -msgstr "播放一次" - -#: org/jmol/popup/MainPopupResourceBundle.java:555 -msgid "Palindrome" -msgstr "è¿´æ–‡" - -#: org/jmol/popup/MainPopupResourceBundle.java:556 -msgid "Loop" -msgstr "循環播放" - -#: org/jmol/popup/MainPopupResourceBundle.java:558 -msgid "Play" -msgstr "播放" - -#: org/jmol/popup/MainPopupResourceBundle.java:561 -msgid "Stop" -msgstr "åœæ­¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:562 -msgid "Next Frame" -msgstr "下一格" - -#: org/jmol/popup/MainPopupResourceBundle.java:563 -msgid "Previous Frame" -msgstr "上一格" - -#: org/jmol/popup/MainPopupResourceBundle.java:564 -msgid "Rewind" -msgstr "倒帶" - -#: org/jmol/popup/MainPopupResourceBundle.java:565 -msgid "Reverse" -msgstr "倒帶" - -#: org/jmol/popup/MainPopupResourceBundle.java:566 -msgid "Restart" -msgstr "é‡æ–°é–‹å§‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:575 -#: org/jmol/popup/MainPopupResourceBundle.java:610 -msgid "Measurements" -msgstr "測é‡" - -#: org/jmol/popup/MainPopupResourceBundle.java:576 -msgid "Double-Click begins and ends all measurements" -msgstr "按二下來開始åŠçµæŸæ‰€æœ‰æ¸¬é‡" - -#: org/jmol/popup/MainPopupResourceBundle.java:577 -msgid "Click for distance measurement" -msgstr "按一下來測é‡è·é›¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:578 -msgid "Click for angle measurement" -msgstr "按一下來測é‡è§’度" - -#: org/jmol/popup/MainPopupResourceBundle.java:579 -msgid "Click for torsion (dihedral) measurement" -msgstr "按一下來測é‡(å…©å¹³é¢é–“çš„)扭力" - -#: org/jmol/popup/MainPopupResourceBundle.java:580 -msgid "Click two atoms to display a sequence in the console" -msgstr "點é¸å…©å€‹åŽŸå­ä¸¦åœ¨æŒ‡ä»¤æ¨¡å¼ä¸­é¡¯ç¤ºå…¶é †åº" - -#: org/jmol/popup/MainPopupResourceBundle.java:581 -msgid "Delete measurements" -msgstr "移除é‡æ¸¬å€¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:582 -msgid "List measurements" -msgstr "列出é‡æ¸¬å€¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:583 -msgid "Distance units nanometers" -msgstr "è·é›¢å–®ä½ 奈米" - -#: org/jmol/popup/MainPopupResourceBundle.java:584 -msgid "Distance units Angstroms" -msgstr "è·é›¢å–®ä½ 埃" - -#: org/jmol/popup/MainPopupResourceBundle.java:585 -msgid "Distance units picometers" -msgstr "è·é›¢å–®ä½ 微微米" - -#: org/jmol/popup/MainPopupResourceBundle.java:587 -msgid "Set picking" -msgstr "è¨­å®šæŒ‘é¸ (Set picking)" - -#: org/jmol/popup/MainPopupResourceBundle.java:589 -msgid "Center" -msgstr "將分å­ç½®æ–¼å·¥ä½œè¦–窗中央" - -#: org/jmol/popup/MainPopupResourceBundle.java:591 -msgid "Identity" -msgstr "分å­è³‡è¨Š" - -#: org/jmol/popup/MainPopupResourceBundle.java:592 -msgid "Label" -msgstr "標記" - -#: org/jmol/popup/MainPopupResourceBundle.java:593 -msgid "Select atom" -msgstr "é¸å–原å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:594 -msgid "Select chain" -msgstr "é¸å–éˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:595 -msgid "Select element" -msgstr "é¸å–元素" - -#: org/jmol/popup/MainPopupResourceBundle.java:596 -#, fuzzy -msgid "modelKitMode" -msgstr "離開模型組工具模å¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:597 -msgid "Select group" -msgstr "é¸å–官能基" - -#: org/jmol/popup/MainPopupResourceBundle.java:598 -msgid "Select molecule" -msgstr "é¸å–分å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:599 -msgid "Select site" -msgstr "é¸å–ä½ç½®" - -#: org/jmol/popup/MainPopupResourceBundle.java:600 -msgid "Show symmetry operation" -msgstr "顯示å°ç¨±æ“作" - -#: org/jmol/popup/MainPopupResourceBundle.java:603 -msgid "Show" -msgstr "顯示" - -#: org/jmol/popup/MainPopupResourceBundle.java:605 -#, fuzzy -msgid "JavaScript Console" -msgstr "Jmol Script 主控å°" - -#: org/jmol/popup/MainPopupResourceBundle.java:606 -msgid "File Contents" -msgstr "檔案內容" - -#: org/jmol/popup/MainPopupResourceBundle.java:607 -msgid "File Header" -msgstr "檔案標頭" - -#: org/jmol/popup/MainPopupResourceBundle.java:609 -msgid "Isosurface JVXL data" -msgstr "ç­‰é¢çš„ JVXL資料" - -#: org/jmol/popup/MainPopupResourceBundle.java:611 -msgid "Molecular orbital JVXL data" -msgstr "分å­è»ŒåŸŸçš„ JVXL 資料" - -#: org/jmol/popup/MainPopupResourceBundle.java:612 -msgid "Model" -msgstr "模型" - -#: org/jmol/popup/MainPopupResourceBundle.java:613 -msgid "Orientation" -msgstr "æ–¹å‘" - -#: org/jmol/popup/MainPopupResourceBundle.java:614 -msgid "Space group" -msgstr "空間群" - -#: org/jmol/popup/MainPopupResourceBundle.java:616 -msgid "Current state" -msgstr "ç¾åœ¨ç‹€æ…‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:618 -msgid "File" -msgstr "檔案" - -#: org/jmol/popup/MainPopupResourceBundle.java:621 -msgid "Export" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:622 -msgid "Reload" -msgstr "é‡æ–°è¼‰å…¥" - -#: org/jmol/popup/MainPopupResourceBundle.java:623 -msgid "Open from PDB" -msgstr "自 PDB é–‹å•Ÿ" - -#: org/jmol/popup/MainPopupResourceBundle.java:624 -#, fuzzy -msgid "Open local file" -msgstr "開始己é¸çš„檔案" - -#: org/jmol/popup/MainPopupResourceBundle.java:625 -#, fuzzy -msgid "Open URL" -msgstr "é–‹å•Ÿ" - -#: org/jmol/popup/MainPopupResourceBundle.java:626 -msgid "Load full unit cell" -msgstr "載入全部晶格" - -#: org/jmol/popup/MainPopupResourceBundle.java:627 -msgid "Open script" -msgstr "開啟腳本" - -#: org/jmol/popup/MainPopupResourceBundle.java:629 -#: org/jmol/viewer/OutputManager.java:792 -msgid "Capture" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:630 -msgid "Capture rock" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:631 -msgid "Capture spin" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:632 -msgid "Start capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:633 -msgid "End capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:634 -msgid "Disable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:635 -msgid "Re-enable capturing" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:636 -msgid "Set capture replay rate" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:637 -msgid "Toggle capture looping" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:639 -#, java-format -msgid "Save a copy of {0}" -msgstr "å°‡ {0} 儲存一份" - -#: org/jmol/popup/MainPopupResourceBundle.java:640 -msgid "Save script with state" -msgstr "儲存腳本åŠç‹€æ…‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:641 -msgid "Save script with history" -msgstr "儲存腳本åŠæ­·å²" - -#: org/jmol/popup/MainPopupResourceBundle.java:642 -#: org/jmol/popup/MainPopupResourceBundle.java:643 -#: org/jmol/popup/MainPopupResourceBundle.java:644 -#: org/jmol/popup/MainPopupResourceBundle.java:645 -#: org/jmol/popup/MainPopupResourceBundle.java:646 -#, java-format -msgid "Export {0} image" -msgstr "匯出 {0} å½±åƒ" - -#: org/jmol/popup/MainPopupResourceBundle.java:647 -#, fuzzy -msgid "Save as PNG/JMOL (image+zip)" -msgstr "å…¨éƒ¨å­˜æˆ JMOL 檔 (zip)" - -#: org/jmol/popup/MainPopupResourceBundle.java:648 -msgid "Save JVXL isosurface" -msgstr "儲存 JVXL 等值é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:649 -#: org/jmol/popup/MainPopupResourceBundle.java:650 -#: org/jmol/popup/MainPopupResourceBundle.java:651 -#: org/jmol/popup/MainPopupResourceBundle.java:652 -#, java-format -msgid "Export {0} 3D model" -msgstr "匯出 {0} 3D 模å¼" - -#: org/jmol/popup/MainPopupResourceBundle.java:654 -msgid "Computation" -msgstr "計算" - -#: org/jmol/popup/MainPopupResourceBundle.java:655 -msgid "Optimize structure" -msgstr "最é©åŒ–çµæ§‹" - -#: org/jmol/popup/MainPopupResourceBundle.java:656 -msgid "Model kit" -msgstr "模型組工具" - -#: org/jmol/popup/MainPopupResourceBundle.java:660 -msgid "Extract MOL data" -msgstr "æ“·å– MOL 資料" - -#: org/jmol/popup/MainPopupResourceBundle.java:663 -msgid "Dot Surface" -msgstr "斑點表é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:664 -msgid "van der Waals Surface" -msgstr "凡得瓦表é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:665 -msgid "Molecular Surface" -msgstr "分å­è¡¨é¢" - -#: org/jmol/popup/MainPopupResourceBundle.java:666 -#, java-format -msgid "Solvent Surface ({0}-Angstrom probe)" -msgstr "溶劑表é¢ç© (以 {0}-埃 來探查)" - -#: org/jmol/popup/MainPopupResourceBundle.java:668 -#, java-format -msgid "Solvent-Accessible Surface (VDW + {0} Angstrom)" -msgstr "溶劑å¯åŠè¡¨é¢ç© (VDW + {0} 埃)" - -#: org/jmol/popup/MainPopupResourceBundle.java:669 -msgid "Molecular Electrostatic Potential (range ALL)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:670 -msgid "Molecular Electrostatic Potential (range -0.1 0.1)" -msgstr "" - -#: org/jmol/popup/MainPopupResourceBundle.java:676 -#: org/jmol/popup/MainPopupResourceBundle.java:677 -#: org/jmol/popup/MainPopupResourceBundle.java:678 -#, java-format -msgid "Reload {0}" -msgstr "é‡æ–°è¼‰å…¥ {0}" - -#: org/jmol/popup/MainPopupResourceBundle.java:679 -#, java-format -msgid "Reload {0} + Display {1}" -msgstr "é‡æ–°è¼‰å…¥ {0} + 顯示 {1}" - -#: org/jmol/popup/MainPopupResourceBundle.java:680 -msgid "Reload + Polyhedra" -msgstr "é‡æžè¼‰å…¥ + 多é¢é«”" - -#: org/jmol/popup/MainPopupResourceBundle.java:687 -msgid "Hide" -msgstr "éš±è—" - -#: org/jmol/popup/MainPopupResourceBundle.java:688 -msgid "Dotted" -msgstr "點狀" - -#: org/jmol/popup/MainPopupResourceBundle.java:690 -msgid "Pixel Width" -msgstr "åƒç´ å¯¬åº¦" - -#: org/jmol/popup/MainPopupResourceBundle.java:691 -#: org/jmol/popup/MainPopupResourceBundle.java:692 -#: org/jmol/popup/MainPopupResourceBundle.java:693 -#: org/jmol/popup/MainPopupResourceBundle.java:694 -#, java-format -msgid "{0} px" -msgstr "{0} åƒç´ " - -#: org/jmol/popup/MainPopupResourceBundle.java:696 -msgid "Angstrom Width" -msgstr "幾個埃大å°çš„寬度" - -#: org/jmol/popup/MainPopupResourceBundle.java:704 -msgid "Selection Halos" -msgstr "é¸æ“‡å…‰åœˆ" - -#: org/jmol/popup/MainPopupResourceBundle.java:705 -msgid "Show Hydrogens" -msgstr "顯示氫原å­" - -#: org/jmol/popup/MainPopupResourceBundle.java:706 -msgid "Show Measurements" -msgstr "顯示é‡æ¸¬çµæžœ" - -#: org/jmol/popup/MainPopupResourceBundle.java:707 -msgid "Perspective Depth" -msgstr "é€è¦–深度" - -#: org/jmol/popup/MainPopupResourceBundle.java:711 -msgid "RasMol Colors" -msgstr "RasMolé¡è‰²" - -#: org/jmol/popup/MainPopupResourceBundle.java:712 -msgid "About..." -msgstr "關於..." - -#: org/jmol/script/ScriptCompiler.java:3051 -msgid "script compiler ERROR: " -msgstr "script 編譯器錯誤： " - -#: org/jmol/script/ScriptError.java:192 -msgid "x y z axis expected" -msgstr "é æœŸçš„ x y z 軸" - -#: org/jmol/script/ScriptError.java:195 -#, java-format -msgid "{0} not allowed with background model displayed" -msgstr "{0}ä¸å…許背景中出ç¾å…¶å®ƒæ¨¡åž‹" - -#: org/jmol/script/ScriptError.java:198 -#: org/jmol/script/ScriptTokenParser.java:1487 -msgid "bad argument count" -msgstr "åƒæ•¸æ•¸ç›®éŒ¯èª¤" - -#: org/jmol/script/ScriptError.java:201 -msgid "Miller indices cannot all be zero." -msgstr "米勒指數(Miller Index)ä¸å¯ç‚º 0" - -#: org/jmol/script/ScriptError.java:204 -msgid "bad [R,G,B] color" -msgstr "錯的 [R,G,B] é¡è‰²æ•¸å€¼" - -#: org/jmol/script/ScriptError.java:207 -msgid "boolean expected" -msgstr "é æœŸçš„真å‡å€¼" - -#: org/jmol/script/ScriptError.java:210 -msgid "boolean or number expected" -msgstr "é æœŸçš„布林值或數值" - -#: org/jmol/script/ScriptError.java:213 -#, java-format -msgid "boolean, number, or {0} expected" -msgstr "é æœŸçš„布林值ã€æ•¸å€¼æˆ–{0}" - -#: org/jmol/script/ScriptError.java:216 -msgid "cannot set value" -msgstr "" - -#: org/jmol/script/ScriptError.java:219 -msgid "color expected" -msgstr "é æœŸçš„é¡è‰²" - -#: org/jmol/script/ScriptError.java:222 -msgid "a color or palette name (Jmol, Rasmol) is required" -msgstr "一定è¦æœ‰é¡è‰²æˆ–調色盤åå­— (Jmol, Rasmol)" - -#: org/jmol/script/ScriptError.java:225 -#: org/jmol/script/ScriptTokenParser.java:1493 -msgid "command expected" -msgstr "é æœŸçš„指令" - -#: org/jmol/script/ScriptError.java:228 -msgid "{x y z} or $name or (atom expression) required" -msgstr "一定è¦æœ‰{x y z}或 $name 或 (原å­è¡¨ç¤ºå¼)" - -#: org/jmol/script/ScriptError.java:231 -msgid "draw object not defined" -msgstr "沒有定義繪圖物件" - -#: org/jmol/script/ScriptError.java:234 -#: org/jmol/script/ScriptTokenParser.java:1499 -msgid "unexpected end of script command" -msgstr "指令稿指令 (script command) éžé æœŸçš„中止執行" - -#: org/jmol/script/ScriptError.java:237 -msgid "valid (atom expression) expected" -msgstr "é æœŸæœ‰æ­£ç¢ºçš„(原å­è¡¨ç¤ºå¼)" - -#: org/jmol/script/ScriptError.java:240 -msgid "(atom expression) or integer expected" -msgstr "é æœŸæœ‰(原å­è¡¨ç¤ºå¼)或整數" - -#: org/jmol/script/ScriptError.java:243 -msgid "filename expected" -msgstr "é æœŸæœ‰æª”å" - -#: org/jmol/script/ScriptError.java:246 -msgid "file not found" -msgstr "沒有找到檔案" - -#: org/jmol/script/ScriptError.java:249 -msgid "incompatible arguments" -msgstr "ä¸ç›¸å®¹çš„åƒæ•¸" - -#: org/jmol/script/ScriptError.java:252 -msgid "insufficient arguments" -msgstr "ä¸è¶³çš„åƒæ•¸" - -#: org/jmol/script/ScriptError.java:255 -msgid "integer expected" -msgstr "é æœŸç‚ºæ•´æ•¸" - -#: org/jmol/script/ScriptError.java:258 -#, java-format -msgid "integer out of range ({0} - {1})" -msgstr "整數超出({0} - {1})範åœ" - -#: org/jmol/script/ScriptError.java:261 -msgid "invalid argument" -msgstr "無效的åƒæ•¸" - -#: org/jmol/script/ScriptError.java:264 -msgid "invalid parameter order" -msgstr "ä¸åˆç†çš„åƒæ•¸é †åº" - -#: org/jmol/script/ScriptError.java:267 -msgid "keyword expected" -msgstr "åƒæ•¸é †åºç„¡æ•ˆ" - -#: org/jmol/script/ScriptError.java:270 -msgid "no MO coefficient data available" -msgstr "沒有分å­è»ŒåŸŸ(MO)çš„åƒæ•¸è³‡æ–™å¯ç”¨" - -#: org/jmol/script/ScriptError.java:273 -#, java-format -msgid "An MO index from 1 to {0} is required" -msgstr "分å­è»ŒåŸŸ(MO)索引值必須介在1到{0}之間" - -#: org/jmol/script/ScriptError.java:276 -msgid "no MO basis/coefficient data available for this frame" -msgstr "這個çµæ§‹æ²’有分å­è»ŒåŸŸ(MO)的基底(basis)或åƒæ•¸è³‡æ–™å¯ç”¨" - -#: org/jmol/script/ScriptError.java:279 -msgid "no MO occupancy data available" -msgstr "沒有佔用分å­è»ŒåŸŸ(MO)的資料å¯ç”¨" - -#: org/jmol/script/ScriptError.java:282 -msgid "Only one molecular orbital is available in this file" -msgstr "在這個檔案中åªæœ‰ä¸€å€‹åˆ†å­è»ŒåŸŸ(MO)資料å¯ç”¨" - -#: org/jmol/script/ScriptError.java:285 -#, java-format -msgid "{0} require that only one model be displayed" -msgstr "{0}åªèƒ½é¡¯ç¤ºä¸€å€‹æ¨¡åž‹" - -#: org/jmol/script/ScriptError.java:288 -#, java-format -msgid "{0} requires that only one model be loaded" -msgstr "éœ€è¦ {0}, ç›®å‰åªæœ‰è¼‰å…¥ä¸€å€‹æ¨¡çµ„" - -#: org/jmol/script/ScriptError.java:291 -msgid "No data available" -msgstr "沒有å¯ç”¨çš„資料" - -#: org/jmol/script/ScriptError.java:295 -msgid "" -"No partial charges were read from the file; Jmol needs these to render the " -"MEP data." -msgstr "檔案中沒有部份電è·è³‡æ–™ï¼›Jmol需è¦éƒ¨ä»½é›»è·è³‡æ–™ä¾†æ¸²æŸ“繪製 MEP 資料。" - -#: org/jmol/script/ScriptError.java:298 -msgid "No unit cell" -msgstr "沒有單ä½æ™¶æ ¼" - -#: org/jmol/script/ScriptError.java:301 -#: org/jmol/script/ScriptTokenParser.java:1523 -msgid "number expected" -msgstr "é æœŸçš„數值" - -#: org/jmol/script/ScriptError.java:304 -#, java-format -msgid "number must be ({0} or {1})" -msgstr "數值必需是({0} 或 {1})" - -#: org/jmol/script/ScriptError.java:307 -#, java-format -msgid "decimal number out of range ({0} - {1})" -msgstr "å進ä½æ•¸å€¼è¶…出({0} - {1})之間" - -#: org/jmol/script/ScriptError.java:310 -msgid "object name expected after '$'" -msgstr "物件å必需在'$'之後" - -#: org/jmol/script/ScriptError.java:314 -#, java-format -msgid "" -"plane expected -- either three points or atom expressions or {0} or {1} or " -"{2}" -msgstr "é æœŸæœ‰ä¸€å€‹å¹³é¢å­˜åœ¨--ä¸æ˜¯3個點或原å­è¡¨ç¤ºå¼å°±æ˜¯{0} 或 {1} 或 {2}" - -#: org/jmol/script/ScriptError.java:317 -msgid "property name expected" -msgstr "é æœŸçš„屬性å" - -#: org/jmol/script/ScriptError.java:320 -#, java-format -msgid "space group {0} was not found." -msgstr "沒有發ç¾ç©ºé–“群{0}" - -#: org/jmol/script/ScriptError.java:323 -msgid "quoted string expected" -msgstr "é æœŸæœ‰åŠ å¼•è™Ÿçš„字串" - -#: org/jmol/script/ScriptError.java:326 -msgid "quoted string or identifier expected" -msgstr "é æœŸæœ‰åŠ å¼•è™Ÿçš„字串或識別符號" - -#: org/jmol/script/ScriptError.java:329 -msgid "too many rotation points were specified" -msgstr "太多被期待的旋轉點" - -#: org/jmol/script/ScriptError.java:332 -msgid "too many script levels" -msgstr "太多層指令(script levels)" - -#: org/jmol/script/ScriptError.java:335 -msgid "unrecognized atom property" -msgstr "無法辯識的原å­å±¬æ€§" - -#: org/jmol/script/ScriptError.java:338 -msgid "unrecognized bond property" -msgstr "無法辯識的化學éµå±¬æ€§" - -#: org/jmol/script/ScriptError.java:341 -msgid "unrecognized command" -msgstr "無法辨識的指令" - -#: org/jmol/script/ScriptError.java:344 -msgid "runtime unrecognized expression" -msgstr "執行時無法辨識的表示å¼" - -#: org/jmol/script/ScriptError.java:347 -msgid "unrecognized object" -msgstr "無法辦識的物件" - -#: org/jmol/script/ScriptError.java:350 -#: org/jmol/script/ScriptTokenParser.java:1541 -#, java-format -msgid "unrecognized {0} parameter" -msgstr "ä¸èƒ½è¾¦è­˜çš„åƒæ•¸ {0}" - -#: org/jmol/script/ScriptError.java:354 -#, java-format -msgid "unrecognized {0} parameter in Jmol state script (set anyway)" -msgstr "Jmol 狀態指令稿中ä¸è¢«èªè­˜çš„åƒæ•¸{0}" - -#: org/jmol/script/ScriptError.java:357 -#, java-format -msgid "unrecognized SHOW parameter -- use {0}" -msgstr "ä¸èƒ½è­˜åˆ¥ SHOW çš„åƒæ•¸ -- 使用了{0}" - -#: org/jmol/script/ScriptError.java:363 -#, java-format -msgid "write what? {0} or {1} \"filename\"" -msgstr "寫什麼呢？{0} 或 {1} \"檔å\"" - -#: org/jmol/script/ScriptError.java:412 org/jmol/script/ScriptEval.java:6447 -msgid "script ERROR: " -msgstr "script 錯誤： " - -#: org/jmol/script/ScriptEval.java:3263 -#, java-format -msgid "show saved: {0}" -msgstr "" - -#: org/jmol/script/ScriptEval.java:3277 org/jmol/script/ScriptEval.java:7960 -#, java-format -msgid "{0} atoms deleted" -msgstr "己刪除{0}個原å­" - -#: org/jmol/script/ScriptEval.java:3995 org/jmol/scriptext/CmdExt.java:643 -#, java-format -msgid "{0} hydrogen bonds" -msgstr "{0}個氫éµ" - -#: org/jmol/script/ScriptEval.java:4649 -#, java-format -msgid "file {0} created" -msgstr "檔案 {0} 新增完æˆ" - -#: org/jmol/script/ScriptEval.java:7667 -#, java-format -msgid "to resume, enter: &{0}" -msgstr "" - -#: org/jmol/script/ScriptTokenParser.java:1490 -#, java-format -msgid "invalid context for {0}" -msgstr "å°{0}而言其å‰å¾Œé—œé€£ç„¡æ•ˆ" - -#: org/jmol/script/ScriptTokenParser.java:1496 -msgid "{ number number number } expected" -msgstr "é æœŸçš„ {數值 數值 數值}" - -#: org/jmol/script/ScriptTokenParser.java:1502 -msgid "end of expression expected" -msgstr "é æ–™ä¹‹ä¸­çš„表示å¼çµæŸ" - -#: org/jmol/script/ScriptTokenParser.java:1505 -msgid "identifier or residue specification expected" -msgstr "é æœŸçš„識別符號或殘基è¦æ ¼" - -#: org/jmol/script/ScriptTokenParser.java:1508 -msgid "invalid atom specification" -msgstr "ä¸åˆç†çš„原å­è¦æ ¼" - -#: org/jmol/script/ScriptTokenParser.java:1511 -msgid "invalid chain specification" -msgstr "ä¸åˆç†çš„化學éˆè¦æ ¼" - -#: org/jmol/script/ScriptTokenParser.java:1514 -#, java-format -msgid "invalid expression token: {0}" -msgstr "ä¸åˆç†çš„表示å¼ç¬¦è™Ÿï¼š{0}" - -#: org/jmol/script/ScriptTokenParser.java:1517 -msgid "invalid model specification" -msgstr "ä¸åˆç†çš„模型è¦æ ¼" - -#: org/jmol/script/ScriptTokenParser.java:1520 -#, java-format -msgid "missing END for {0}" -msgstr "消失了{0}çš„çµæŸç¬¦è™Ÿ" - -#: org/jmol/script/ScriptTokenParser.java:1526 -msgid "number or variable name expected" -msgstr "é æœŸçš„數字或變數å稱" - -#: org/jmol/script/ScriptTokenParser.java:1529 -msgid "residue specification (ALA, AL?, A*) expected" -msgstr "é æœŸçš„殘留物è¦ç¯„ (ALA, AL?, A*)" - -#: org/jmol/script/ScriptTokenParser.java:1532 -#, java-format -msgid "{0} expected" -msgstr "é æœŸçš„{0}" - -#: org/jmol/script/ScriptTokenParser.java:1535 -#, java-format -msgid "{0} unexpected" -msgstr "料想ä¸åˆ°çš„{0}" - -#: org/jmol/script/ScriptTokenParser.java:1538 -#, java-format -msgid "unrecognized expression token: {0}" -msgstr "ä¸èƒ½è¾¦è­˜çš„表é”å¼ï¼š{0}" - -#: org/jmol/script/ScriptTokenParser.java:1544 -#, java-format -msgid "unrecognized token: {0}" -msgstr "ä¸èƒ½è¾¦è­˜çš„符號{0}" - -#: org/jmol/scriptext/CmdExt.java:621 -#, java-format -msgid "{0} charges modified" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:729 -#, java-format -msgid "{0} struts added" -msgstr "{0} 加入支架 (struts)" - -#: org/jmol/scriptext/CmdExt.java:865 -#, java-format -msgid "Note: Enable looping using {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:867 -#, java-format -msgid "Animation delay based on: {0}" -msgstr "" - -#: org/jmol/scriptext/CmdExt.java:1872 -#, java-format -msgid "{0} connections deleted" -msgstr "己刪除{0}個連çµ" - -#: org/jmol/scriptext/CmdExt.java:1884 -#, java-format -msgid "{0} new bonds; {1} modified" -msgstr "{0} 個新化學éµ; {1} 個己修改" - -#: org/jmol/scriptext/MathExt.java:3661 -msgid "Note: More than one model is involved in this contact!" -msgstr "" - -#: org/jmol/shape/Frank.java:92 -msgid "Click for menu..." -msgstr "滑鼠點擊以顯示é¸å–®" - -#: org/jmol/util/GenericApplet.java:294 -#, java-format -msgid "" -"Jmol Applet version {0} {1}.\n" -"\n" -"An OpenScience project.\n" -"\n" -"See http://www.jmol.org for more information" -msgstr "" -"Jmol Applet 版本 {0} {1}.\n" -"\n" -"OpenScience 計劃.\n" -"\n" -"更多訊æ¯è«‹åƒé–± http://www.jmol.org" - -#: org/jmol/util/GenericApplet.java:681 -msgid "File Error:" -msgstr "檔案錯誤：" - -#: org/jmol/viewer/ActionManager.java:231 -#, java-format -msgid "assign/new atom or bond (requires {0})" -msgstr "指定/新增 原å­æˆ–æ˜¯éµ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:235 -msgid "pop up recent context menu (click on Jmol frank)" -msgstr "彈出最近的文字功能é¸å–® (點擊 Jmol frank)" - -#: org/jmol/viewer/ActionManager.java:237 -#, java-format -msgid "delete atom (requires {0})" -msgstr "ç§»é™¤åŽŸå­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:239 -#, java-format -msgid "delete bond (requires {0})" -msgstr "ç§»é™¤éµ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:241 -#, java-format -msgid "adjust depth (back plane; requires {0})" -msgstr "調整深度 (後平é¢; éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:242 -#, java-format -msgid "move atom (requires {0})" -msgstr "ç§»å‹•åŽŸå­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:245 -#, java-format -msgid "move whole DRAW object (requires {0})" -msgstr "移動整個 DRAW 物件 (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:247 -#, java-format -msgid "move specific DRAW point (requires {0})" -msgstr "移動特定 DRAW 點 (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:248 -#, java-format -msgid "move label (requires {0})" -msgstr "移動標籤 (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:251 -#, java-format -msgid "move atom and minimize molecule (requires {0})" -msgstr "移動原å­ä»¥åŠåˆ†å­æœ€å°åŒ– (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:254 -#, java-format -msgid "move and minimize molecule (requires {0})" -msgstr "移動以åŠåˆ†å­æœ€å°åŒ– (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:257 -#, java-format -msgid "move selected atoms (requires {0})" -msgstr "移動所é¸çš„åŽŸå­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:259 -#, java-format -msgid "drag atoms in Z direction (requires {0})" -msgstr "" - -#: org/jmol/viewer/ActionManager.java:261 -msgid "simulate multi-touch using the mouse)" -msgstr "使用滑鼠模擬多點觸碰" - -#: org/jmol/viewer/ActionManager.java:263 -#, java-format -msgid "translate navigation point (requires {0} and {1})" -msgstr "轉化導覽點 (éœ€è¦ {0} åŠ {1})" - -#: org/jmol/viewer/ActionManager.java:265 -msgid "pick an atom" -msgstr "è«‹é¸å–原å­" - -#: org/jmol/viewer/ActionManager.java:267 -#, java-format -msgid "connect atoms (requires {0})" -msgstr "連接原å­èˆ‡åŽŸå­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:269 -#, java-format -msgid "pick an ISOSURFACE point (requires {0}" -msgstr "è«‹é¸ä¸€å€‹ç­‰æ›²é¢é»ž (éœ€è¦ {0}" - -#: org/jmol/viewer/ActionManager.java:271 -#, java-format -msgid "pick a label to toggle it hidden/displayed (requires {0})" -msgstr "è«‹é¸ä¸€å€‹æ¨™è¨˜ä»¥åˆ‡æ›éš±è—/顯示 (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:278 -#, java-format -msgid "" -"pick an atom to include it in a measurement (after starting a measurement or " -"after {0})" -msgstr "é¸å–一個原å­ä½œç‚ºæ¸¬é‡ (測é‡ä¹‹å‰æˆ–之後 {0})" - -#: org/jmol/viewer/ActionManager.java:281 -#, java-format -msgid "pick a point or atom to navigate to (requires {0})" -msgstr "é¸æ“‡ä¸€å€‹é»žæˆ–是原å­ä»¥é€²è¡Œå°Žè¦½ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:284 -#, java-format -msgid "pick a DRAW point (for measurements) (requires {0}" -msgstr "è«‹é¸ä¸€å€‹ç¹ªåœ–點 (用在測é‡) (éœ€è¦ {0}" - -#: org/jmol/viewer/ActionManager.java:287 -msgid "pop up the full context menu" -msgstr "彈出全文é¸å–®" - -#: org/jmol/viewer/ActionManager.java:289 -msgid "reset (when clicked off the model)" -msgstr "é‡è¨­ (當點擊這模型)" - -#: org/jmol/viewer/ActionManager.java:290 -msgid "rotate" -msgstr "旋轉" - -#: org/jmol/viewer/ActionManager.java:292 -#, java-format -msgid "rotate branch around bond (requires {0})" -msgstr "讓分æžçµæ§‹ç¹žè‘—éµæ—‹è½‰ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:294 -#, java-format -msgid "rotate selected atoms (requires {0})" -msgstr "旋轉所é¸çš„åŽŸå­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:295 -msgid "rotate Z" -msgstr "繞 Z 軸旋轉" - -#: org/jmol/viewer/ActionManager.java:300 -msgid "" -"rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)" -msgstr "繞著 Z (滑鼠的水平方å‘移動) 或是縮放 (滑鼠的垂直方å‘移動)" - -#: org/jmol/viewer/ActionManager.java:301 -#, java-format -msgid "select an atom (requires {0})" -msgstr "é¸å–åŽŸå­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:304 -#, java-format -msgid "select and drag atoms (requires {0})" -msgstr "é¸å–åŠæ‹–æ›³åŽŸå­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:306 -#, java-format -msgid "unselect this group of atoms (requires {0})" -msgstr "å–消é¸å–é€™äº›åŽŸå­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:309 -#, java-format -msgid "select NONE (requires {0})" -msgstr "ä¸é¸ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:311 -#, java-format -msgid "add this group of atoms to the set of selected atoms (requires {0})" -msgstr "將這些原å­åŠ åˆ°å·²ç¶“é¸å–的原å­ä¸­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:314 -#, java-format -msgid "toggle selection (requires {0})" -msgstr "固定所é¸çš„ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:321 -#, java-format -msgid "" -"if all are selected, unselect all, otherwise add this group of atoms to the " -"set of selected atoms (requires {0})" -msgstr "" -"若已經全é¸, è«‹å…ˆå–消全é¸, 或者是將這堆原å­åŠ åˆ°å·²ç¶“é¸å–的原å­ä¸­ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:324 -msgid "pick an atom to initiate or conclude a measurement" -msgstr "é¸å–一個原å­ä»¥é€²è¡Œæ¸¬é‡æˆ–是已經包å«æ¸¬é‡å€¼" - -#: org/jmol/viewer/ActionManager.java:326 -#, java-format -msgid "adjust slab (front plane; requires {0})" -msgstr "èª¿æ•´å¹³æ¿ (å‰å¹³é¢; éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:328 -#, java-format -msgid "move slab/depth window (both planes; requires {0})" -msgstr "移動平æ¿/深度視窗 (å…©å¹³é¢; éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:330 -msgid "zoom (along right edge of window)" -msgstr "縮放 (沿著視窗å³å´)" - -#: org/jmol/viewer/ActionManager.java:336 -#, java-format -msgid "click on two points to spin around axis counterclockwise (requires {0})" -msgstr "點å–兩個點以繞著該軸逆時é‡æ—‹è½‰ (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:339 -#, java-format -msgid "click on two points to spin around axis clockwise (requires {0})" -msgstr "點å–兩個點以繞著該軸順時é‡è½‰å‹• (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:342 -#, java-format -msgid "stop motion (requires {0})" -msgstr "åœæ­¢é‹å‹• (éœ€è¦ {0})" - -#: org/jmol/viewer/ActionManager.java:347 -msgid "spin model (swipe and release button and stop motion simultaneously)" -msgstr "æ—‹è½‰æ¨¡å¼ (點擊與釋放按鈕以åŠåŒæ™‚åœæ­¢ç§»å‹•)" - -#: org/jmol/viewer/ActionManager.java:348 -msgid "translate" -msgstr "翻譯" - -#: org/jmol/viewer/ActionManager.java:349 -msgid "zoom" -msgstr "縮放" - -#: org/jmol/viewer/ActionManager.java:1991 -msgid "pick one more atom in order to spin the model around an axis" -msgstr "è«‹å†å¤šé¸ä¸€å€‹åŽŸå­ä¾†ä½¿åˆ†å­å¯ä»¥ä¸€å€‹è»¸æ—‹è½‰" - -#: org/jmol/viewer/ActionManager.java:1992 -msgid "pick two atoms in order to spin the model around an axis" -msgstr "è«‹é¸äºŒå€‹åŽŸå­ä¾†ä½¿åˆ†å­å¯ä»¥ç¹žä¸€å€‹è»¸æ—‹è½‰" - -#: org/jmol/viewer/ActionManager.java:1996 -msgid "pick one more atom in order to display the symmetry relationship" -msgstr "è«‹é¸å–一個或是多個原å­ä»¥å‘ˆç¾å°ç¨±é—œä¿‚" - -#: org/jmol/viewer/ActionManager.java:1998 -msgid "" -"pick two atoms in order to display the symmetry relationship between them" -msgstr "è«‹é¸å–兩個原å­ä»¥å‘ˆç¾å…©è€…çš„å°ç¨±é—œä¿‚" - -#: org/jmol/viewer/OutputManager.java:794 -msgid "canceled" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:795 -#, java-format -msgid "{0} saved" -msgstr "" - -#: org/jmol/viewer/OutputManager.java:861 -#, java-format -msgid "Setting log file to {0}" -msgstr "設定紀錄檔到 {0}" - -#: org/jmol/viewer/OutputManager.java:863 -msgid "Cannot set log file path." -msgstr "無法設定紀錄檔之路徑" - -#: org/jmol/viewer/SelectionManager.java:114 -#: org/jmol/viewer/SelectionManager.java:125 -#, java-format -msgid "{0} atoms hidden" -msgstr "己隱è—{0}個原å­" - -#: org/jmol/viewer/SelectionManager.java:186 -#, java-format -msgid "{0} atoms selected" -msgstr "å·±é¸æ“‡{0}個原å­" - -#: org/jmol/viewer/Viewer.java:4158 -msgid "Drag to move label" -msgstr "拖著移走標記" - -#: org/jmol/viewer/Viewer.java:7868 -msgid "clipboard is not accessible -- use signed applet" -msgstr "ä¸èƒ½å­˜å–剪貼簿--請用使用簽署éŽçš„ç¨‹åº (applet)" - -#: org/jmol/viewer/Viewer.java:9049 -#, java-format -msgid "{0} hydrogens added" -msgstr "{0} 加入氫" - -#~ msgid "Hide Symmetry" -#~ msgstr "éš±è—å°ç¨±" - -#~ msgid "Loading Jmol applet ..." -#~ msgstr "載入 Jmol applet 中 ..." - -#~ msgid " {0} seconds" -#~ msgstr " {0} 秒" - -#~ msgid "Java version:" -#~ msgstr "Java 版本:" - -#~ msgid "1 processor" -#~ msgstr "單一處ç†å™¨" - -#~ msgid "unknown processor count" -#~ msgstr "ä¸çŸ¥é“處ç†å™¨æ•¸ç›®" - -#~ msgid "Java memory usage:" -#~ msgstr "Java 之記憶體使用率:" - -#~ msgid "{0} MB free" -#~ msgstr "還有 {0} MB未使用" - -#~ msgid "unknown maximum" -#~ msgstr "ä¸çŸ¥æ¥µå¤§å€¼ç‚ºä½•" - -#~ msgid "Open file or URL" -#~ msgstr "開啟檔案或連çµ" diff --git a/qmpy/web/static/js/jsmol/j2s/J/Jmol.properties b/qmpy/web/static/js/jsmol/j2s/J/Jmol.properties index d756427a..d4c6f6d2 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/Jmol.properties +++ b/qmpy/web/static/js/jsmol/j2s/J/Jmol.properties @@ -1,3 +1,3 @@ -Jmol.___JmolDate="$Date: 2020-05-27 14:50:46 -0500 (Wed, 27 May 2020) $" -Jmol.___fullJmolProperties="src/org/jmol/viewer/Jmol.properties" -Jmol.___JmolVersion="14.31.2" +Jmol.___JmolDate="$Date: 2021-12-23 12:47:05 -0600 (Thu, 23 Dec 2021) $" +Jmol.___fullJmolProperties="src/org/jmol/viewer/Jmol.properties" +Jmol.___JmolVersion="14.32.6" diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/Cif2DataParser.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/Cif2DataParser.js index 1b7ff9b9..de4437f7 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/Cif2DataParser.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/Cif2DataParser.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("J.adapter.readers.cif"); -Clazz.load (["JU.CifDataParser"], "J.adapter.readers.cif.Cif2DataParser", ["java.lang.Float", "java.util.Hashtable", "JU.Lst", "$.PT"], function () { +Clazz.load (["JU.CifDataParser"], "J.adapter.readers.cif.Cif2DataParser", ["java.lang.Float", "java.util.Hashtable", "JU.PT"], function () { c$ = Clazz.declareType (J.adapter.readers.cif, "Cif2DataParser", JU.CifDataParser); Clazz.overrideMethod (c$, "getVersion", function () { @@ -91,29 +91,6 @@ str = "\1" + str.substring (str.charAt (pt1 + 1) == '\\' ? pt1 + 1 : pt2 < 0 ? s }this.ich = 0; return this.fixLineFolding (str); }); -Clazz.defineMethod (c$, "readList", -function () { -this.ich++; -var cterm0 = this.cterm; -this.cterm = ']'; -var ns = this.nullString; -this.nullString = null; -var lst = (this.asObject ? new JU.Lst () : null); -var n = 0; -var str = ""; -while (true) { -var value = (this.asObject ? this.getNextTokenObject () : this.getNextToken ()); -if (value == null || value.equals ("]")) break; -if (this.asObject) { -lst.addLast (value); -} else { -if (n++ > 0) str += ","; -str += value; -}} -this.cterm = cterm0; -this.nullString = ns; -return (this.asObject ? lst : "[" + str + "]"); -}); Clazz.defineMethod (c$, "readTable", function () { this.ich++; @@ -204,4 +181,13 @@ for (var i = 0; i < n; i++) d[i] = f[i]; return d; }, "~S,~N"); +c$.getIntArrayFromStringList = Clazz.defineMethod (c$, "getIntArrayFromStringList", +function (s, n) { +var f = Clazz.newFloatArray (n, 0); +JU.PT.parseFloatArrayInfested (JU.PT.getTokens (s.$replace (',', ' ').$replace ('[', ' ')), f); +var a = Clazz.newIntArray (n, 0); +for (var i = 0; i < n; i++) a[i] = Clazz.floatToInt (f[i]); + +return a; +}, "~S,~N"); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/CifReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/CifReader.js index 4878023c..5fc6df27 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/CifReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/CifReader.js @@ -1,8 +1,9 @@ Clazz.declarePackage ("J.adapter.readers.cif"); -Clazz.load (["J.adapter.smarter.AtomSetCollectionReader", "JU.Lst", "$.P3"], "J.adapter.readers.cif.CifReader", ["java.lang.Boolean", "$.Character", "$.Float", "java.util.Hashtable", "JU.BS", "$.CifDataParser", "$.PT", "$.Rdr", "$.V3", "J.adapter.smarter.Atom", "J.api.JmolAdapter", "JU.Logger", "$.Vibration"], function () { +Clazz.load (["J.adapter.smarter.AtomSetCollectionReader", "JU.Lst", "$.P3"], "J.adapter.readers.cif.CifReader", ["java.lang.Boolean", "$.Character", "$.Float", "java.util.Hashtable", "javajs.api.Interface", "JU.BS", "$.CifDataParser", "$.PT", "$.Rdr", "$.V3", "J.adapter.smarter.Atom", "J.api.JmolAdapter", "JU.Logger", "$.Vibration"], function () { c$ = Clazz.decorateAsClass (function () { +this.subParser = null; this.modr = null; -this.parser = null; +this.cifParser = null; this.isAFLOW = false; this.filterAssembly = false; this.allowRotations = true; @@ -33,13 +34,12 @@ this.lastSpaceGroupName = null; this.modulated = false; this.isCourseGrained = false; this.haveCellWaveVector = false; -this.$latticeType = null; this.htGroup1 = null; this.nAtoms0 = 0; this.titleAtomSet = 1; -this.intTableNo = 0; this.htCellTypes = null; this.modelMap = null; +this.haveGlobalDummy = false; this.htAudit = null; this.symops = null; this.pdbID = null; @@ -102,13 +102,13 @@ function () { }); Clazz.defineMethod (c$, "readCifData", function () { -this.parser = this.getCifDataParser (); +this.cifParser = this.getCifDataParser (); this.line = ""; -while (this.continueWith (this.key = this.parser.peekToken ())) if (!this.readAllData ()) break; +while (this.continueWith (this.key = this.cifParser.peekToken ())) if (!this.readAllData ()) break; if (this.appendedData != null) { -this.parser = (this.getInterface ("JU.CifDataParser")).set (null, JU.Rdr.getBR (this.appendedData), this.debugging); -while ((this.key = this.parser.peekToken ()) != null) if (!this.readAllData ()) break; +this.cifParser = (this.getInterface ("JU.CifDataParser")).set (null, JU.Rdr.getBR (this.appendedData), this.debugging); +while ((this.key = this.cifParser.peekToken ()) != null) if (!this.readAllData ()) break; }}); Clazz.defineMethod (c$, "continueWith", @@ -127,7 +127,7 @@ this.isLigand = false; if (this.asc.atomSetCount == 0) this.iHaveDesiredModel = false; if (this.iHaveDesiredModel) return false; if (this.desiredModelNumber != -2147483648) this.appendLoadNote (null); -this.newModel (++this.modelNumber); +this.newModel (-1); this.haveCellWaveVector = false; if (this.auditBlockCode == null) this.modulated = false; if (!this.skipping) { @@ -141,18 +141,18 @@ this.skipping = false; }this.isLoop = this.key.startsWith ("loop_"); if (this.isLoop) { if (this.skipping && !this.isMMCIF) { -this.parser.getTokenPeeked (); -this.parser.skipLoop (false); +this.cifParser.getTokenPeeked (); +this.cifParser.skipLoop (false); } else { this.processLoopBlock (); }return true; }if (this.key.indexOf ("_") != 0) { JU.Logger.warn (this.key.startsWith ("save_") ? "CIF reader ignoring save_" : "CIF ERROR ? should be an underscore: " + this.key); -this.parser.getTokenPeeked (); +this.cifParser.getTokenPeeked (); } else if (!this.getData ()) { return true; }if (!this.skipping) { -this.key = this.parser.fixKey (this.key0 = this.key); +this.key = this.cifParser.fixKey (this.key0 = this.key); if (this.key.startsWith ("_chemical_name") || this.key.equals ("_chem_comp_name")) { this.processChemicalInfo ("name"); } else if (this.key.startsWith ("_chemical_formula_structural")) { @@ -161,13 +161,14 @@ this.processChemicalInfo ("structuralFormula"); this.processChemicalInfo ("formula"); } else if (this.key.equals ("_cell_modulation_dimension")) { this.modDim = this.parseIntStr (this.data); +if (this.modr != null) this.modr.setModDim (this.modDim); } else if (this.key.startsWith ("_cell_") && this.key.indexOf ("_commen_") < 0) { this.processCellParameter (); } else if (this.key.startsWith ("_atom_sites_fract_tran")) { this.processUnitCellTransformMatrix (); } else if (this.key.startsWith ("_audit")) { if (this.key.equals ("_audit_block_code")) { -this.auditBlockCode = this.parser.fullTrim (this.data).toUpperCase (); +this.auditBlockCode = this.cifParser.fullTrim (this.data).toUpperCase (); this.appendLoadNote (this.auditBlockCode); if (this.htAudit != null && this.auditBlockCode.contains ("_MOD_")) { var key = JU.PT.rep (this.auditBlockCode, "_MOD_", "_REFRNCE_"); @@ -180,8 +181,8 @@ if (this.symops != null) for (var i = 0; i < this.symops.size (); i++) this.setS }if (this.lastSpaceGroupName != null) this.setSpaceGroupName (this.lastSpaceGroupName); } else if (this.key.equals ("_audit_creation_date")) { this.symmetry = null; -}} else if (this.key.equals (J.adapter.readers.cif.CifReader.singleAtomID)) { -this.readSingleAtom (); +}} else if (this.key.startsWith ("_chem_comp_atom") || this.key.startsWith ("_atom")) { +this.processLoopBlock (); } else if (this.key.startsWith ("_symmetry_space_group_name_h-m") || this.key.startsWith ("_symmetry_space_group_name_hall") || this.key.startsWith ("_space_group_name") || this.key.contains ("_ssg_name") || this.key.contains ("_magn_name") || this.key.contains ("_bns_name")) { this.processSymmetrySpaceGroupName (); } else if (this.key.startsWith ("_space_group_transform") || this.key.startsWith ("_parent_space_group") || this.key.startsWith ("_space_group_magn_transform")) { @@ -193,18 +194,18 @@ this.addModelTitle ("TITLE"); } else if (this.key.startsWith ("_aflow_")) { this.isAFLOW = true; } else if (this.key.equals ("_symmetry_int_tables_number")) { -this.intTableNo = this.parseIntStr (this.data); -this.rotateHexCell = (this.isAFLOW && (this.intTableNo >= 143 && this.intTableNo <= 194)); +var intTableNo = this.parseIntStr (this.data); +this.rotateHexCell = (this.isAFLOW && (intTableNo >= 143 && intTableNo <= 194)); } else if (this.key.equals ("_entry_id")) { this.pdbID = this.data; -} else { -this.processSubclassEntry (); +} else if (this.key.startsWith ("_topol_")) { +this.getTopologyParser ().ProcessRecord (this.key, this.data); }}return true; }); Clazz.defineMethod (c$, "addModelTitle", function (key) { if (this.asc.atomSetCount > this.titleAtomSet) this.appendLoadNote ("\nMODEL: " + (this.titleAtomSet = this.asc.atomSetCount)); -this.appendLoadNote (key + ": " + this.parser.fullTrim (this.data)); +this.appendLoadNote (key + ": " + this.cifParser.fullTrim (this.data)); }, "~S"); Clazz.defineMethod (c$, "processSubclassEntry", function () { @@ -229,14 +230,6 @@ if (type.equalsIgnoreCase (this.strSupercell)) { this.strSupercell = cell; this.htCellTypes.put ("conventional", (isFrom ? "" : "!") + data); }}, "~S,~S,~B"); -Clazz.defineMethod (c$, "readSingleAtom", - function () { -var atom = new J.adapter.smarter.Atom (); -atom.set (0, 0, 0); -atom.atomName = this.parser.fullTrim (this.data); -atom.getElementSymbol (); -this.asc.addAtom (atom); -}); Clazz.defineMethod (c$, "getModulationReader", function () { return (this.modr == null ? this.initializeMSCIF () : this.modr); @@ -249,16 +242,23 @@ return this.modr; }); Clazz.defineMethod (c$, "newModel", function (modelNo) { -this.skipping = !this.doGetModel (this.modelNumber = modelNo, null); +if (modelNo < 0) { +if (this.modelNumber == 1 && this.asc.ac == 0 && this.nAtoms == 0 && !this.haveGlobalDummy) { +this.modelNumber = 0; +this.haveModel = false; +this.haveGlobalDummy = true; +this.asc.removeCurrentAtomSet (); +}modelNo = ++this.modelNumber; +}this.skipping = !this.doGetModel (this.modelNumber = modelNo, null); if (this.skipping) { -if (!this.isMMCIF) this.parser.getTokenPeeked (); +if (!this.isMMCIF) this.cifParser.getTokenPeeked (); return; }this.chemicalName = ""; this.thisStructuralFormula = ""; this.thisFormula = ""; this.iHaveDesiredModel = this.isLastModel (this.modelNumber); if (this.isCourseGrained) this.asc.setCurrentModelInfo ("courseGrained", Boolean.TRUE); -if (this.nAtoms0 == this.asc.ac) { +if (this.nAtoms0 > 0 && this.nAtoms0 == this.asc.ac) { this.modelNumber--; this.haveModel = false; this.asc.removeCurrentAtomSet (); @@ -267,8 +267,9 @@ this.applySymmetryAndSetTrajectory (); }}, "~N"); Clazz.overrideMethod (c$, "finalizeSubclassReader", function () { +if (this.htOxStates != null) this.setOxidationStates (); if (this.asc.iSet > 0 && this.asc.getAtomSetAtomCount (this.asc.iSet) == 0) this.asc.atomSetCount--; - else if (!this.isMMCIF || !this.finalizeSubclass ()) this.applySymmetryAndSetTrajectory (); + else if (!this.finalizeSubclass ()) this.applySymmetryAndSetTrajectory (); var n = this.asc.atomSetCount; if (n > 1) this.asc.setCollectionName (""); if (this.pdbID != null) this.asc.setCurrentModelInfo ("pdbID", this.pdbID); @@ -276,9 +277,24 @@ this.finalizeReaderASCR (); this.addHeader (); if (this.haveAromatic) this.addJmolScript ("calculate aromatic"); }); +Clazz.defineMethod (c$, "setOxidationStates", + function () { +for (var i = this.asc.ac; --i >= 0; ) { +var a = this.asc.atoms[i]; +var sym = a.typeSymbol; +var data; +if (sym != null && (data = this.htOxStates.get (sym)) != null) { +var charge = data[0]; +var radius = data[1]; +if (!Float.isNaN (charge)) { +a.formalCharge = Math.round (charge); +}if (!Float.isNaN (radius)) { +a.bondRadius = radius; +}}} +}); Clazz.defineMethod (c$, "addHeader", function () { -var header = this.parser.getFileHeader (); +var header = this.cifParser.getFileHeader (); if (header.length > 0) { var s = this.setLoadNote (); this.appendLoadNote (null); @@ -289,7 +305,7 @@ this.asc.setInfo ("fileHeader", header); }}); Clazz.defineMethod (c$, "finalizeSubclass", function () { -return false; +return (this.subParser == null ? false : this.subParser.finalizeReader ()); }); Clazz.overrideMethod (c$, "doPreSymmetry", function () { @@ -303,7 +319,7 @@ Clazz.overrideMethod (c$, "applySymmetryAndSetTrajectory", function () { if (this.isMMCIF) this.asc.checkSpecial = false; var doCheckBonding = this.doCheckUnitCell && !this.isMMCIF; -if (this.isMMCIF) { +if (this.isMMCIF && this.asc.iSet >= 0) { var modelIndex = this.asc.iSet; this.asc.setCurrentModelInfo ("PDB_CONECT_firstAtom_count_max", Clazz.newIntArray (-1, [this.asc.getAtomSetAtomIndex (modelIndex), this.asc.getAtomSetAtomCount (modelIndex), this.maxSerial])); }if (this.htCellTypes != null) { @@ -337,11 +353,12 @@ this.appendLoadNote (n + " magnetic moments - use VECTORS ON/OFF or VECTOR MAX x }}if (sym != null && this.auditBlockCode != null && this.auditBlockCode.contains ("REFRNCE")) { if (this.htAudit == null) this.htAudit = new java.util.Hashtable (); this.htAudit.put (this.auditBlockCode, sym); -}}, "~B"); +}if (this.subParser != null) this.subParser.finalizeSymmetry (haveSymmetry); +}, "~B"); Clazz.defineMethod (c$, "processDataParameter", function () { this.bondTypes.clear (); -this.parser.getTokenPeeked (); +this.cifParser.getTokenPeeked (); this.thisDataSetName = (this.key.length < 6 ? "" : this.key.substring (5)); if (this.thisDataSetName.length > 0) this.nextAtomSet (); if (this.debugging) JU.Logger.debug (this.key); @@ -363,13 +380,13 @@ this.asc.setCollectionName (this.thisDataSetName); Clazz.defineMethod (c$, "processChemicalInfo", function (type) { if (type.equals ("name")) { -this.chemicalName = this.data = this.parser.fullTrim (this.data); +this.chemicalName = this.data = this.cifParser.fullTrim (this.data); this.appendLoadNote (this.chemicalName); if (!this.data.equals ("?")) this.asc.setInfo ("modelLoadNote", this.data); } else if (type.equals ("structuralFormula")) { -this.thisStructuralFormula = this.data = this.parser.fullTrim (this.data); +this.thisStructuralFormula = this.data = this.cifParser.fullTrim (this.data); } else if (type.equals ("formula")) { -this.thisFormula = this.data = this.parser.fullTrim (this.data); +this.thisFormula = this.data = this.cifParser.fullTrim (this.data); if (this.thisFormula.length > 1) this.appendLoadNote (this.thisFormula); }if (this.debugging) { JU.Logger.debug (type + " = " + this.data); @@ -379,17 +396,17 @@ Clazz.defineMethod (c$, "processSymmetrySpaceGroupName", function () { if (this.key.indexOf ("_ssg_name") >= 0) { this.modulated = true; -this.$latticeType = this.data.substring (0, 1); +this.latticeType = this.data.substring (0, 1); } else if (this.modulated) { return; -}this.data = this.parser.toUnicode (this.data); +}this.data = this.cifParser.toUnicode (this.data); this.setSpaceGroupName (this.lastSpaceGroupName = (this.key.indexOf ("h-m") > 0 ? "HM:" : this.modulated ? "SSG:" : this.key.indexOf ("bns") >= 0 ? "BNS:" : this.key.indexOf ("hall") >= 0 ? "Hall:" : "") + this.data); }); Clazz.defineMethod (c$, "addLatticeVectors", function () { this.lattvecs = null; if (this.magCenterings != null) { -this.$latticeType = "Magnetic"; +this.latticeType = "Magnetic"; this.lattvecs = new JU.Lst (); for (var i = 0; i < this.magCenterings.size (); i++) { var s = this.magCenterings.get (i); @@ -406,10 +423,10 @@ if ((f[j] = JU.PT.parseFloatFraction (s)) != 0) n++; if (n >= 2) this.lattvecs.addLast (f); } this.magCenterings = null; -} else if (this.$latticeType != null && "ABCFI".indexOf (this.$latticeType) >= 0) { +} else if (this.latticeType != null && "ABCFI".indexOf (this.latticeType) >= 0) { this.lattvecs = new JU.Lst (); try { -this.ms.addLatticeVector (this.lattvecs, this.$latticeType); +this.ms.addLatticeVector (this.lattvecs, this.latticeType); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { } else { @@ -417,14 +434,14 @@ throw e; } } }if (this.lattvecs != null && this.lattvecs.size () > 0 && this.asc.getSymmetry ().addLatticeVectors (this.lattvecs)) { -this.appendLoadNote ("Note! " + this.lattvecs.size () + " symmetry operators added for lattice centering " + this.$latticeType); +this.appendLoadNote ("Note! " + this.lattvecs.size () + " symmetry operators added for lattice centering " + this.latticeType); for (var i = 0; i < this.lattvecs.size (); i++) this.appendLoadNote (JU.PT.toJSON (null, this.lattvecs.get (i))); -}this.$latticeType = null; +}this.latticeType = null; }); Clazz.defineMethod (c$, "processCellParameter", function () { -for (var i = J.api.JmolAdapter.cellParamNames.length; --i >= 0; ) if (this.key.equals (J.api.JmolAdapter.cellParamNames[i])) { +for (var i = 6; --i >= 0; ) if (this.key.equals (J.api.JmolAdapter.cellParamNames[i])) { var p = this.parseFloatStr (this.data); if (this.rotateHexCell && i == 5 && p == 120) p = -1; this.setUnitCellItem (i, p); @@ -443,9 +460,9 @@ return; }); Clazz.defineMethod (c$, "getData", function () { -this.key = this.parser.getTokenPeeked (); +this.key = this.cifParser.getTokenPeeked (); if (!this.continueWith (this.key)) return false; -this.data = this.parser.getNextToken (); +this.data = this.cifParser.getNextToken (); if (this.debugging && this.data != null && this.data.length > 0 && this.data.charAt (0) != '\0') JU.Logger.debug (">> " + this.key + " " + this.data); if (this.data == null) { JU.Logger.warn ("CIF ERROR ? end of file; data missing: " + this.key); @@ -454,20 +471,21 @@ return false; }); Clazz.defineMethod (c$, "processLoopBlock", function () { -this.parser.getTokenPeeked (); -this.key = this.parser.peekToken (); +if (this.isLoop) { +this.cifParser.getTokenPeeked (); +this.key = this.cifParser.peekToken (); if (this.key == null) return; -this.key = this.parser.fixKey (this.key0 = this.key); -if (this.modDim > 0) switch (this.getModulationReader ().processLoopBlock ()) { +this.key = this.cifParser.fixKey (this.key0 = this.key); +}if (this.modDim > 0) switch (this.getModulationReader ().processLoopBlock ()) { case 0: break; case -1: -this.parser.skipLoop (false); +this.cifParser.skipLoop (false); case 1: return; } var isLigand = false; -if (this.key.startsWith ("_atom_site") || (isLigand = this.key.equals ("_chem_comp_atom_comp_id"))) { +if (this.key.startsWith ("_atom_site") || (isLigand = this.key.startsWith ("_chem_comp_atom_"))) { if (!this.processAtomSiteLoopBlock (isLigand)) return; if (this.thisDataSetName.equals ("global")) this.asc.setCollectionName (this.thisDataSetName = this.chemicalName); if (!this.thisDataSetName.equals (this.lastDataSetName)) { @@ -480,7 +498,7 @@ return; }if (this.key.startsWith ("_space_group_symop") || this.key.startsWith ("_symmetry_equiv_pos") || this.key.startsWith ("_symmetry_ssg_equiv")) { if (this.ignoreFileSymmetryOperators) { JU.Logger.warn ("ignoring file-based symmetry operators"); -this.parser.skipLoop (false); +this.cifParser.skipLoop (false); } else { this.processSymmetryOperationsLoopBlock (); }return; @@ -497,24 +515,33 @@ return; if (this.key.equals ("_propagation_vector_seq_id")) { this.addMore (); return; -}this.parser.skipLoop (false); +}this.cifParser.skipLoop (false); }); Clazz.defineMethod (c$, "processSubclassLoopBlock", function () { -return false; +if (this.key.startsWith ("_topol_")) { +return this.getTopologyParser ().processBlock (this.key); +}return false; +}); +Clazz.defineMethod (c$, "getTopologyParser", + function () { +if (this.subParser == null) { +this.subParser = (javajs.api.Interface.getInterface ("J.adapter.readers.cif.TopoCifParser")); +this.subParser = this.subParser.setReader (this); +}return this.subParser; }); Clazz.defineMethod (c$, "addMore", function () { var str; var n = 0; try { -while ((str = this.parser.peekToken ()) != null && str.charAt (0) == '_') { -this.parser.getTokenPeeked (); +while ((str = this.cifParser.peekToken ()) != null && str.charAt (0) == '_') { +this.cifParser.getTokenPeeked (); n++; } var m = 0; var s = ""; -while ((str = this.parser.getNextDataToken ()) != null) { +while ((str = this.cifParser.getNextDataToken ()) != null) { s += str + (m % n == 0 ? "=" : " "); if (++m % n == 0) { this.appendUunitCellInfo (s.trim ()); @@ -529,11 +556,11 @@ throw e; }); Clazz.defineMethod (c$, "fieldProperty", function (i) { -return (i >= 0 && (this.field = this.parser.getColumnData (i)).length > 0 && (this.firstChar = this.field.charAt (0)) != '\0' ? this.col2key[i] : -1); +return (i >= 0 && (this.field = this.cifParser.getColumnData (i)).length > 0 && (this.firstChar = this.field.charAt (0)) != '\0' ? this.col2key[i] : -1); }, "~N"); Clazz.defineMethod (c$, "parseLoopParameters", function (fields) { -this.parser.parseDataBlockParameters (fields, this.isLoop ? null : this.key0, this.data, this.key2col, this.col2key); +this.cifParser.parseDataBlockParameters (fields, this.isLoop ? null : this.key0, this.data, this.key2col, this.col2key); }, "~A"); Clazz.defineMethod (c$, "parseLoopParametersFor", function (key, fields) { @@ -549,15 +576,14 @@ if (i != -1) this.col2key[i] = -1; Clazz.defineMethod (c$, "processAtomTypeLoopBlock", function () { this.parseLoopParameters (J.adapter.readers.cif.CifReader.atomTypeFields); -if (!this.checkAllFieldsPresent (J.adapter.readers.cif.CifReader.atomTypeFields, -1, false)) { -this.parser.skipLoop (false); -return; -}var atomTypeSymbol; -var oxidationNumber = 0; -while (this.parser.getData ()) { -if (this.isNull (atomTypeSymbol = this.getField (0)) || Float.isNaN (oxidationNumber = this.parseFloatStr (this.getField (1)))) continue; +while (this.cifParser.getData ()) { +var sym = this.getField (0); +if (sym == null) continue; +var oxno = this.parseFloatStr (this.getField (1)); +var radius = this.parseFloatStr (this.getField (2)); +if (Float.isNaN (oxno) && Float.isNaN (radius)) continue; if (this.htOxStates == null) this.htOxStates = new java.util.Hashtable (); -this.htOxStates.put (atomTypeSymbol, Float.$valueOf (oxidationNumber)); +this.htOxStates.put (sym, Clazz.newFloatArray (-1, [oxno, radius])); } }); Clazz.defineMethod (c$, "processAtomSiteLoopBlock", @@ -584,11 +610,11 @@ this.disableField (8); } else if (this.key2col[20] != -1 || this.key2col[21] != -1 || this.key2col[63] != -1) { haveCoord = false; } else { -this.parser.skipLoop (false); +this.cifParser.skipLoop (false); return false; }var modelField = this.key2col[17]; var siteMult = 0; -while (this.parser.getData ()) { +while (this.cifParser.getData ()) { if (modelField >= 0) { pdbModelNo = this.checkPDBModelField (modelField, pdbModelNo); if (pdbModelNo < 0) break; @@ -602,18 +628,19 @@ if ((atom = this.asc.getAtomFromName (this.field)) == null) continue; } else { continue; }}var componentId = null; -var strChain = null; var id = null; +var authAtom = null; +var authComp = null; +var authSeq = null; +var authAsym = null; +var haveAuth = false; var seqID = 0; -var n = this.parser.getColumnCount (); +var n = this.cifParser.getColumnCount (); for (var i = 0; i < n; ++i) { var tok = this.fieldProperty (i); switch (tok) { case -1: break; -case 71: -seqID = this.parseIntStr (this.field); -break; case 70: id = this.field; break; @@ -630,17 +657,39 @@ elementSymbol = "" + this.firstChar + ch1; elementSymbol = "" + this.firstChar; if (!this.haveHAtoms && this.firstChar == 'H') this.haveHAtoms = true; }}atom.elementSymbol = elementSymbol; -if (this.htOxStates != null && this.htOxStates.containsKey (this.field)) { -var charge = this.htOxStates.get (this.field).floatValue (); -atom.formalCharge = Math.round (charge); -if (Math.abs (atom.formalCharge - charge) > 0.1) if (this.debugging) { -JU.Logger.debug ("CIF charge on " + this.field + " was " + charge + "; rounded to " + atom.formalCharge); -}}break; +atom.typeSymbol = this.field; +break; case 49: case 1: -case 2: +case 73: atom.atomName = this.field; break; +case 2: +haveAuth = true; +authAtom = this.field; +break; +case 48: +case 72: +atom.group3 = this.field; +break; +case 11: +authComp = this.field; +haveAuth = true; +break; +case 59: +componentId = this.field; +break; +case 12: +authAsym = this.field; +haveAuth = true; +break; +case 71: +atom.sequenceNumber = seqID = this.parseIntStr (this.field); +break; +case 13: +haveAuth = true; +authSeq = this.field; +break; case 55: var x = this.parseFloatStr (this.field); if (this.readIdeal && !Float.isNaN (x)) atom.x = x; @@ -678,20 +727,6 @@ break; case 10: atom.bfactor = this.parseFloatStr (this.field) * (this.isMMCIF ? 1 : 100); break; -case 48: -case 11: -atom.group3 = this.field; -break; -case 59: -componentId = this.field; -if (!this.useAuthorChainID) this.setChainID (atom, strChain = this.field); -break; -case 12: -if (this.useAuthorChainID) this.setChainID (atom, strChain = this.field); -break; -case 13: -this.maxSerial = Math.max (this.maxSerial, atom.sequenceNumber = this.parseIntStr (this.field)); -break; case 14: atom.insertionCode = this.firstChar; break; @@ -724,7 +759,7 @@ case 62: case 47: if (this.field.equalsIgnoreCase ("Uiso")) { var j = this.key2col[34]; -if (j != -1) this.asc.setU (atom, 7, this.parseFloatStr (this.parser.getColumnData (j))); +if (j != -1) this.asc.setU (atom, 7, this.parseFloatStr (this.cifParser.getColumnData (j))); }break; case 22: case 23: @@ -790,26 +825,39 @@ if (!haveCoord) continue; if (Float.isNaN (atom.x) || Float.isNaN (atom.y) || Float.isNaN (atom.z)) { JU.Logger.warn ("atom " + atom.atomName + " has invalid/unknown coordinates"); continue; -}if (atom.elementSymbol == null && atom.atomName != null) atom.getElementSymbol (); -if (!this.filterCIFAtom (atom, componentId)) continue; -this.setAtomCoord (atom); -if (this.isMMCIF && !this.processSubclassAtom (atom, componentId, strChain)) continue; -if (this.asc.iSet < 0) this.nextAtomSet (); -this.asc.addAtomWithMappedName (atom); -if (id != null) { -this.asc.atomSymbolicMap.put (id, atom); -if (seqID > 0) { +}var strChain = componentId; +if (haveAuth) { +if (authAtom != null) atom.atomName = authAtom; +if (authComp != null) atom.group3 = authComp; +if (authSeq != null) atom.sequenceNumber = this.parseIntStr (authSeq); +if (authAsym != null && this.useAuthorChainID) strChain = authAsym; +}if (strChain != null) this.setChainID (atom, strChain); +if (this.maxSerial != -2147483648) this.maxSerial = Math.max (this.maxSerial, atom.sequenceNumber); +if (!this.addCifAtom (atom, id, componentId, strChain)) continue; +if (id != null && seqID > 0) { var pt = atom.vib; if (pt == null) pt = this.asc.addVibrationVector (atom.index, 0, NaN, 1094713365); pt.x = seqID; -}}this.ac++; -if (this.modDim > 0 && siteMult != 0) atom.vib = JU.V3.new3 (siteMult, 0, NaN); +}if (this.modDim > 0 && siteMult != 0) atom.vib = JU.V3.new3 (siteMult, 0, NaN); } this.asc.setCurrentModelInfo ("isCIF", Boolean.TRUE); if (this.isMMCIF) this.setModelPDB (true); if (this.isMMCIF && this.skipping) this.skipping = false; return true; }, "~B"); +Clazz.defineMethod (c$, "addCifAtom", +function (atom, id, componentId, strChain) { +if (atom.elementSymbol == null && atom.atomName != null) atom.getElementSymbol (); +if (!this.filterCIFAtom (atom, componentId)) return false; +this.setAtomCoord (atom); +if (this.isMMCIF && !this.processSubclassAtom (atom, componentId, strChain)) return false; +if (this.asc.iSet < 0) this.nextAtomSet (); +this.asc.addAtomWithMappedName (atom); +if (id != null) { +this.asc.atomSymbolicMap.put (id, atom); +}this.ac++; +return true; +}, "J.adapter.smarter.Atom,~S,~S,~S"); Clazz.defineMethod (c$, "checkPDBModelField", function (modelField, currentModelNo) { return 0; @@ -839,9 +887,9 @@ return false; Clazz.defineMethod (c$, "processCitationListBlock", function () { this.parseLoopParameters (J.adapter.readers.cif.CifReader.citationFields); -while (this.parser.getData ()) { +while (this.cifParser.getData ()) { var title = this.getField (0); -if (!this.isNull (title)) this.appendLoadNote ("TITLE: " + this.parser.toUnicode (title)); +if (!this.isNull (title)) this.appendLoadNote ("TITLE: " + this.cifParser.toUnicode (title)); } }); Clazz.defineMethod (c$, "processSymmetryOperationsLoopBlock", @@ -853,13 +901,13 @@ for (n = J.adapter.readers.cif.CifReader.symmetryOperationsFields.length; --n >= if (n < 0) { JU.Logger.warn ("required _space_group_symop key not found"); -this.parser.skipLoop (false); +this.cifParser.skipLoop (false); return; }n = 0; var isMag = false; -while (this.parser.getData ()) { +while (this.cifParser.getData ()) { var ssgop = false; -var nn = this.parser.getColumnCount (); +var nn = this.cifParser.getColumnCount (); var timeRev = (this.fieldProperty (this.key2col[7]) == -1 && this.fieldProperty (this.key2col[8]) == -1 && this.fieldProperty (this.key2col[6]) == -1 ? 0 : this.field.equals ("-1") ? -1 : 1); for (var i = 0, tok; i < nn; ++i) { switch (tok = this.fieldProperty (i)) { @@ -915,26 +963,26 @@ return 515; }, "~S"); Clazz.defineMethod (c$, "processGeomBondLoopBlock", function () { -var bondLoopBug = (this.stateScriptVersionInt >= 130304 && this.stateScriptVersionInt < 140403 || this.stateScriptVersionInt >= 150000 && this.stateScriptVersionInt < 150403); +var bondLoopBug = (this.stateScriptVersionInt >= 130304 && this.stateScriptVersionInt < 140403); this.parseLoopParameters (J.adapter.readers.cif.CifReader.geomBondFields); if (bondLoopBug || !this.checkAllFieldsPresent (J.adapter.readers.cif.CifReader.geomBondFields, 2, true)) { -this.parser.skipLoop (false); +this.cifParser.skipLoop (false); return; }var bondCount = 0; -var name1; -var name2 = null; -while (this.parser.getData ()) { -name2 = null; -if (this.asc.getAtomIndex (name1 = this.getField (0)) < 0 || this.asc.getAtomIndex (name2 = this.getField (1)) < 0) { -if (name2 == null && this.asc.getAtomIndex (name1 = name1.toUpperCase ()) < 0 || this.asc.getAtomIndex (name2 = name2.toUpperCase ()) < 0) continue; -}var order = this.getBondOrder (this.getField (3)); +while (this.cifParser.getData ()) { +var name1 = this.getField (0); +var name2 = this.getField (1); +var order = this.getBondOrder (this.getField (3)); var sdist = this.getField (2); var distance = this.parseFloatStr (sdist); if (distance == 0 || Float.isNaN (distance)) { if (!this.iHaveFractionalCoordinates) { -var a = this.asc.getAtomFromName (name1); -var b = this.asc.getAtomFromName (name2); -if (a != null && b != null) this.asc.addNewBondWithOrder (a.index, b.index, order); +var a = this.getAtomFromNameCheckCase (name1); +var b = this.getAtomFromNameCheckCase (name2); +if (a == null || b == null) { +System.err.println ("ATOM_SITE atom for name " + (a != null ? name2 : b != null ? name1 : name1 + " and " + name2) + " not found"); +continue; +}this.asc.addNewBondWithOrder (a.index, b.index, order); }continue; }var dx = 0; var pt = sdist.indexOf ('('); @@ -961,6 +1009,15 @@ if (!this.doApplySymmetry) { this.isMolecular = true; this.forceSymmetry (false); }}}); +Clazz.defineMethod (c$, "getAtomFromNameCheckCase", + function (name) { +var a = this.asc.getAtomFromName (name); +if (a == null) { +if (!this.asc.atomMapAnyCase) { +this.asc.setAtomMapAnyCase (); +}a = this.asc.getAtomFromName (name.toUpperCase ()); +}return a; +}, "~S"); Clazz.defineMethod (c$, "setBondingAndMolecules", function () { this.atoms = this.asc.atoms; @@ -972,6 +1029,7 @@ this.bsSets = new Array (nat); this.symmetry = this.asc.getSymmetry (); for (var i = this.firstAtom; i < this.ac; i++) { var ipt = this.asc.getAtomFromName (this.atoms[i].atomName).index - this.firstAtom; +if (ipt < 0) continue; if (this.bsSets[ipt] == null) this.bsSets[ipt] = new JU.BS (); this.bsSets[ipt].set (i - this.firstAtom); } @@ -1030,8 +1088,13 @@ var o = this.bondTypes.get (i); var distance = (o[2]).floatValue (); var dx = (o[3]).floatValue (); var order = (o[4]).intValue (); -var iatom1 = this.asc.getAtomIndex (o[0]); -var iatom2 = this.asc.getAtomIndex (o[1]); +var a1 = this.getAtomFromNameCheckCase (o[0]); +var a2 = this.getAtomFromNameCheckCase (o[1]); +if (a1 == null || a2 == null) { +a2 = this.getAtomFromNameCheckCase (o[1]); +continue; +}var iatom1 = a1.index; +var iatom2 = a2.index; if (doInit) { var key = ";" + iatom1 + ";" + iatom2 + ";" + distance; if (list.indexOf (key) >= 0) { @@ -1119,22 +1182,24 @@ return true; Clazz.defineMethod (c$, "getField", function (type) { var i = this.key2col[type]; -return (i == -1 ? "\0" : this.parser.getColumnData (i)); +return (i == -1 ? "\0" : this.cifParser.getColumnData (i)); }, "~N"); Clazz.defineMethod (c$, "isNull", function (key) { return key.equals ("\0"); }, "~S"); +Clazz.declareInterface (J.adapter.readers.cif.CifReader, "Parser"); Clazz.defineStatics (c$, "titleRecords", "__citation_title__publ_section_title__active_magnetic_irreps_details__", "TransformFields", Clazz.newArray (-1, ["x[1][1]", "x[1][2]", "x[1][3]", "r[1]", "x[2][1]", "x[2][2]", "x[2][3]", "r[2]", "x[3][1]", "x[3][2]", "x[3][3]", "r[3]"]), "ATOM_TYPE_SYMBOL", 0, "ATOM_TYPE_OXIDATION_NUMBER", 1, -"atomTypeFields", Clazz.newArray (-1, ["_atom_type_symbol", "_atom_type_oxidation_number"]), +"ATOM_TYPE_RADIUS_BOND", 2, +"atomTypeFields", Clazz.newArray (-1, ["_atom_type_symbol", "_atom_type_oxidation_number", "_atom_type_radius_bond"]), "NONE", -1, "TYPE_SYMBOL", 0, "LABEL", 1, -"AUTH_ATOM", 2, +"AUTH_ATOM_ID", 2, "FRACT_X", 3, "FRACT_Y", 4, "FRACT_Z", 5, @@ -1143,7 +1208,7 @@ Clazz.defineStatics (c$, "CARTN_Z", 8, "OCCUPANCY", 9, "B_ISO", 10, -"COMP_ID", 11, +"AUTH_COMP_ID", 11, "AUTH_ASYM_ID", 12, "AUTH_SEQ_ID", 13, "INS_CODE", 14, @@ -1191,7 +1256,7 @@ Clazz.defineStatics (c$, "CC_ATOM_Y_IDEAL", 56, "CC_ATOM_Z_IDEAL", 57, "DISORDER_ASSEMBLY", 58, -"ASYM_ID", 59, +"LABEL_ASYM_ID", 59, "SUBSYS_ID", 60, "SITE_MULT", 61, "THERMAL_TYPE", 62, @@ -1203,9 +1268,11 @@ Clazz.defineStatics (c$, "MOMENT_Y", 68, "MOMENT_Z", 69, "ATOM_ID", 70, -"SEQ_ID", 71, +"LABEL_SEQ_ID", 71, +"LABEL_COMP_ID", 72, +"LABEL_ATOM_ID", 73, "FAMILY_ATOM", "_atom_site", -"atomFields", Clazz.newArray (-1, ["*_type_symbol", "*_label", "*_auth_atom_id", "*_fract_x", "*_fract_y", "*_fract_z", "*_cartn_x", "*_cartn_y", "*_cartn_z", "*_occupancy", "*_b_iso_or_equiv", "*_auth_comp_id", "*_auth_asym_id", "*_auth_seq_id", "*_pdbx_pdb_ins_code", "*_label_alt_id", "*_group_pdb", "*_pdbx_pdb_model_num", "*_calc_flag", "*_disorder_group", "*_aniso_label", "*_anisotrop_id", "*_aniso_u_11", "*_aniso_u_22", "*_aniso_u_33", "*_aniso_u_12", "*_aniso_u_13", "*_aniso_u_23", "*_anisotrop_u[1][1]", "*_anisotrop_u[2][2]", "*_anisotrop_u[3][3]", "*_anisotrop_u[1][2]", "*_anisotrop_u[1][3]", "*_anisotrop_u[2][3]", "*_u_iso_or_equiv", "*_aniso_b_11", "*_aniso_b_22", "*_aniso_b_33", "*_aniso_b_12", "*_aniso_b_13", "*_aniso_b_23", "*_aniso_beta_11", "*_aniso_beta_22", "*_aniso_beta_33", "*_aniso_beta_12", "*_aniso_beta_13", "*_aniso_beta_23", "*_adp_type", "_chem_comp_atom_comp_id", "_chem_comp_atom_atom_id", "_chem_comp_atom_type_symbol", "_chem_comp_atom_charge", "_chem_comp_atom_model_cartn_x", "_chem_comp_atom_model_cartn_y", "_chem_comp_atom_model_cartn_z", "_chem_comp_atom_pdbx_model_cartn_x_ideal", "_chem_comp_atom_pdbx_model_cartn_y_ideal", "_chem_comp_atom_pdbx_model_cartn_z_ideal", "*_disorder_assembly", "*_label_asym_id", "*_subsystem_code", "*_symmetry_multiplicity", "*_thermal_displace_type", "*_moment_label", "*_moment_crystalaxis_mx", "*_moment_crystalaxis_my", "*_moment_crystalaxis_mz", "*_moment_crystalaxis_x", "*_moment_crystalaxis_y", "*_moment_crystalaxis_z", "*_id", "*_label_seq_id"])); +"atomFields", Clazz.newArray (-1, ["*_type_symbol", "*_label", "*_auth_atom_id", "*_fract_x", "*_fract_y", "*_fract_z", "*_cartn_x", "*_cartn_y", "*_cartn_z", "*_occupancy", "*_b_iso_or_equiv", "*_auth_comp_id", "*_auth_asym_id", "*_auth_seq_id", "*_pdbx_pdb_ins_code", "*_label_alt_id", "*_group_pdb", "*_pdbx_pdb_model_num", "*_calc_flag", "*_disorder_group", "*_aniso_label", "*_anisotrop_id", "*_aniso_u_11", "*_aniso_u_22", "*_aniso_u_33", "*_aniso_u_12", "*_aniso_u_13", "*_aniso_u_23", "*_anisotrop_u[1][1]", "*_anisotrop_u[2][2]", "*_anisotrop_u[3][3]", "*_anisotrop_u[1][2]", "*_anisotrop_u[1][3]", "*_anisotrop_u[2][3]", "*_u_iso_or_equiv", "*_aniso_b_11", "*_aniso_b_22", "*_aniso_b_33", "*_aniso_b_12", "*_aniso_b_13", "*_aniso_b_23", "*_aniso_beta_11", "*_aniso_beta_22", "*_aniso_beta_33", "*_aniso_beta_12", "*_aniso_beta_13", "*_aniso_beta_23", "*_adp_type", "_chem_comp_atom_comp_id", "_chem_comp_atom_atom_id", "_chem_comp_atom_type_symbol", "_chem_comp_atom_charge", "_chem_comp_atom_model_cartn_x", "_chem_comp_atom_model_cartn_y", "_chem_comp_atom_model_cartn_z", "_chem_comp_atom_pdbx_model_cartn_x_ideal", "_chem_comp_atom_pdbx_model_cartn_y_ideal", "_chem_comp_atom_pdbx_model_cartn_z_ideal", "*_disorder_assembly", "*_label_asym_id", "*_subsystem_code", "*_symmetry_multiplicity", "*_thermal_displace_type", "*_moment_label", "*_moment_crystalaxis_mx", "*_moment_crystalaxis_my", "*_moment_crystalaxis_mz", "*_moment_crystalaxis_x", "*_moment_crystalaxis_y", "*_moment_crystalaxis_z", "*_id", "*_label_seq_id", "*_label_comp_id", "*_label_atom_id"])); c$.singleAtomID = c$.prototype.singleAtomID = J.adapter.readers.cif.CifReader.atomFields[48]; Clazz.defineStatics (c$, "CITATION_TITLE", 0, diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MMCifReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MMCifReader.js index 5f697cc5..0a418cc5 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MMCifReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MMCifReader.js @@ -209,7 +209,7 @@ Clazz.defineMethod (c$, "processSequence", this.parseLoopParameters (J.adapter.readers.cif.MMCifReader.structRefFields); var g1; var g3; -while (this.parser.getData ()) { +while (this.cifParser.getData ()) { if (this.isNull (g1 = this.getField (1).toLowerCase ()) || g1.length != 1 || this.isNull (g3 = this.getField (0))) continue; if (this.htGroup1 == null) this.asc.setInfo ("htGroup1", this.htGroup1 = new java.util.Hashtable ()); this.htGroup1.put (g3, g1); @@ -219,11 +219,11 @@ return true; Clazz.defineMethod (c$, "processAssemblyGenBlock", function () { this.parseLoopParameters (J.adapter.readers.cif.MMCifReader.assemblyFields); -while (this.parser.getData ()) { +while (this.cifParser.getData ()) { var assem = new Array (3); var count = 0; var p; -var n = this.parser.getColumnCount (); +var n = this.cifParser.getColumnCount (); for (var i = 0; i < n; ++i) { switch (p = this.fieldProperty (i)) { case 0: @@ -295,11 +295,11 @@ Clazz.defineMethod (c$, "processStructOperListBlock", this.parseLoopParametersFor ((isNCS ? "_struct_ncs_oper" : "_pdbx_struct_oper_list"), isNCS ? J.adapter.readers.cif.MMCifReader.ncsoperFields : J.adapter.readers.cif.MMCifReader.operFields); var m = Clazz.newFloatArray (16, 0); m[15] = 1; -while (this.parser.getData ()) { +while (this.cifParser.getData ()) { var count = 0; var id = null; var xyz = null; -var n = this.parser.getColumnCount (); +var n = this.cifParser.getColumnCount (); for (var i = 0; i < n; ++i) { var p = this.fieldProperty (i); switch (p) { @@ -345,7 +345,7 @@ Clazz.defineMethod (c$, "processChemCompLoopBlock", this.parseLoopParameters (J.adapter.readers.cif.MMCifReader.chemCompFields); var groupName; var hetName; -while (this.parser.getData ()) if (!this.isNull (groupName = this.getField (0)) && !this.isNull (hetName = this.getField (1))) this.addHetero (groupName, hetName, true, true); +while (this.cifParser.getData ()) if (!this.isNull (groupName = this.getField (0)) && !this.isNull (hetName = this.getField (1))) this.addHetero (groupName, hetName, true, true); return true; }); @@ -360,13 +360,13 @@ if (addNote) this.appendLoadNote (groupName + " = " + hetName); Clazz.defineMethod (c$, "processStructConfLoopBlock", function () { if (this.ignoreStructure) { -this.parser.skipLoop (false); +this.cifParser.skipLoop (false); return false; }this.parseLoopParametersFor ("_struct_conf", J.adapter.readers.cif.MMCifReader.structConfFields); if (!this.checkAllFieldsPresent (J.adapter.readers.cif.MMCifReader.structConfFields, -1, true)) { -this.parser.skipLoop (true); +this.cifParser.skipLoop (true); return false; -}while (this.parser.getData ()) { +}while (this.cifParser.getData ()) { var structure = new J.adapter.smarter.Structure (-1, J.c.STR.HELIX, J.c.STR.HELIX, null, 0, 0, null); var type = this.getField (0); if (type.startsWith ("TURN")) structure.structureType = structure.substructureType = J.c.STR.TURN; @@ -391,13 +391,13 @@ this.asc.addStructure (structure); Clazz.defineMethod (c$, "processStructSheetRangeLoopBlock", function () { if (this.ignoreStructure) { -this.parser.skipLoop (false); +this.cifParser.skipLoop (false); return false; }this.parseLoopParametersFor ("_struct_sheet_range", J.adapter.readers.cif.MMCifReader.structSheetRangeFields); if (!this.checkAllFieldsPresent (J.adapter.readers.cif.MMCifReader.structSheetRangeFields, -1, true)) { -this.parser.skipLoop (true); +this.cifParser.skipLoop (true); return false; -}while (this.parser.getData ()) this.addStructure ( new J.adapter.smarter.Structure (-1, J.c.STR.SHEET, J.c.STR.SHEET, this.getField (0), this.parseIntStr (this.getField (7)), 1, null)); +}while (this.cifParser.getData ()) this.addStructure ( new J.adapter.smarter.Structure (-1, J.c.STR.SHEET, J.c.STR.SHEET, this.getField (0), this.parseIntStr (this.getField (7)), 1, null)); return true; }); @@ -408,7 +408,7 @@ var htSite = null; this.htSites = new java.util.Hashtable (); var seqNum; var resID; -while (this.parser.getData ()) { +while (this.cifParser.getData ()) { if (this.isNull (seqNum = this.getField (3)) || this.isNull (resID = this.getField (1))) continue; var siteID = this.getField (0); htSite = this.htSites.get (siteID); @@ -522,7 +522,7 @@ return m; Clazz.defineMethod (c$, "processStructConnLoopBlock", function () { this.parseLoopParametersFor ("_struct_conn", J.adapter.readers.cif.MMCifReader.structConnFields); -while (this.parser.getData ()) { +while (this.cifParser.getData ()) { var sym1 = this.getField (5); var sym2 = this.getField (11); if (!sym1.equals (sym2) || !this.isNull (sym1) && !sym1.equals ("1_555")) continue; @@ -543,7 +543,7 @@ Clazz.defineMethod (c$, "processCompBondLoopBlock", function () { this.doSetBonds = true; this.parseLoopParametersFor ("_chem_comp_bond", J.adapter.readers.cif.MMCifReader.chemCompBondFields); -while (this.parser.getData ()) { +while (this.cifParser.getData ()) { var comp = this.getField (0); var atom1 = this.getField (1); var atom2 = this.getField (2); @@ -612,8 +612,8 @@ this.requiresSorting = true; this.modelStrings += key; }}if (this.iHaveDesiredModel && this.asc.atomSetCount > 0 && !isAssembly) { this.done = true; -if (this.parser != null) { -this.parser.skipLoop (false); +if (this.cifParser != null) { +this.cifParser.skipLoop (false); this.skipping = false; }this.continuing = true; return -2147483648; diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MSCifParser.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MSCifParser.js index 6e927423..9645a1ef 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MSCifParser.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MSCifParser.js @@ -29,12 +29,12 @@ var cr = this.cr; var key = cr.key; if (key.equals ("_cell_subsystem_code")) return this.processSubsystemLoopBlock (); if (!key.startsWith ("_cell_wave") && !key.contains ("fourier") && !key.contains ("legendre") && !key.contains ("_special_func")) { -if (key.contains ("crenel_ortho")) cr.appendLoadNote ("WARNING: Orthogonalized non-Legendre functions not supported.\nThe following block has been ignored. Use Legendre functions instead.\n\n" + cr.parser.skipLoop (true) + "=================================\n"); +if (key.contains ("crenel_ortho")) cr.appendLoadNote ("WARNING: Orthogonalized non-Legendre functions not supported.\nThe following block has been ignored. Use Legendre functions instead.\n\n" + cr.cifParser.skipLoop (true) + "=================================\n"); return 0; }if (cr.asc.iSet < 0) cr.asc.newAtomSet (); cr.parseLoopParametersFor ("_atom_site", J.adapter.readers.cif.MSCifParser.modulationFields); var tok; -while (cr.parser.getData ()) { +while (cr.cifParser.getData ()) { var ignore = false; var type_id = null; var atomLabel = null; @@ -44,16 +44,24 @@ var q = null; var c = NaN; var w = NaN; var fid = null; -var n = cr.parser.getColumnCount (); +var n = cr.cifParser.getColumnCount (); +var sep = "_"; for (var i = 0; i < n; ++i) { switch (tok = this.fieldProperty (cr, i)) { +case 0: +pt[0] = pt[1] = pt[2] = 0; +type_id = "F_"; +fid = this.field; +sep = ""; +break; case 1: cr.haveCellWaveVector = true; -case 0: +sep = ""; case 41: case 42: case 43: pt[0] = pt[1] = pt[2] = 0; +sep = ""; case 14: case 26: case 51: @@ -64,10 +72,7 @@ case 46: switch (tok) { case 1: type_id = "W_"; -break; -case 0: -type_id = "F_"; -fid = this.field; +sep = ""; break; case 41: case 42: @@ -86,7 +91,7 @@ case 36: type_id = Character.toUpperCase (J.adapter.readers.cif.MSCifParser.modulationFields[tok].charAt (11)) + "_"; break; } -type_id += this.field; +type_id += sep + this.field; break; case 47: type_id = "J_O"; @@ -271,7 +276,7 @@ Clazz.defineMethod (c$, "processSubsystemLoopBlock", function () { var cr = this.cr; cr.parseLoopParameters (null); -while (cr.parser.getData ()) { +while (cr.cifParser.getData ()) { this.fieldProperty (cr, 0); var id = this.field; this.addSubsystem (id, this.getSparseMatrix (cr, "_w_", 1, 3 + this.modDim)); @@ -284,9 +289,9 @@ var m = new JU.Matrix (null, dim, dim); var a = m.getArray (); var key; var p; -var n = cr.parser.getColumnCount (); +var n = cr.cifParser.getColumnCount (); for (; i < n; ++i) { -if ((p = this.fieldProperty (cr, i)) < 0 || !(key = cr.parser.getColumnName (p)).contains (term)) continue; +if ((p = this.fieldProperty (cr, i)) < 0 || !(key = cr.cifParser.getColumnName (p)).contains (term)) continue; var tokens = JU.PT.split (key, "_"); var r = cr.parseIntStr (tokens[tokens.length - 2]); var c = cr.parseIntStr (tokens[tokens.length - 1]); @@ -296,7 +301,7 @@ return m; }, "J.adapter.readers.cif.CifReader,~S,~N,~N"); Clazz.defineMethod (c$, "fieldProperty", function (cr, i) { -return ((this.field = cr.parser.getColumnData (i)).length > 0 && this.field.charAt (0) != '\0' ? cr.col2key[i] : -1); +return ((this.field = cr.cifParser.getColumnData (i)).length > 0 && this.field.charAt (0) != '\0' ? cr.col2key[i] : -1); }, "J.adapter.readers.cif.CifReader,~N"); Clazz.defineStatics (c$, "FWV_ID", 0, @@ -379,5 +384,6 @@ Clazz.defineStatics (c$, "DEPR_FU_COS", 77, "DEPR_FU_SIN", 78, "modulationFields", Clazz.newArray (-1, ["*_fourier_wave_vector_seq_id", "_cell_wave_vector_seq_id", "_cell_wave_vector_x", "_cell_wave_vector_y", "_cell_wave_vector_z", "*_fourier_wave_vector_x", "*_fourier_wave_vector_y", "*_fourier_wave_vector_z", "*_fourier_wave_vector_q_coeff", "*_fourier_wave_vector_q1_coeff", "*_fourier_wave_vector_q2_coeff", "*_fourier_wave_vector_q3_coeff", "*_displace_fourier_atom_site_label", "*_displace_fourier_axis", "*_displace_fourier_wave_vector_seq_id", "*_displace_fourier_param_cos", "*_displace_fourier_param_sin", "*_displace_fourier_param_modulus", "*_displace_fourier_param_phase", "*_displace_special_func_atom_site_label", "*_displace_special_func_sawtooth_ax", "*_displace_special_func_sawtooth_ay", "*_displace_special_func_sawtooth_az", "*_displace_special_func_sawtooth_c", "*_displace_special_func_sawtooth_w", "*_occ_fourier_atom_site_label", "*_occ_fourier_wave_vector_seq_id", "*_occ_fourier_param_cos", "*_occ_fourier_param_sin", "*_occ_fourier_param_modulus", "*_occ_fourier_param_phase", "*_occ_special_func_atom_site_label", "*_occ_special_func_crenel_c", "*_occ_special_func_crenel_w", "*_u_fourier_atom_site_label", "*_u_fourier_tens_elem", "*_u_fourier_wave_vector_seq_id", "*_u_fourier_param_cos", "*_u_fourier_param_sin", "*_u_fourier_param_modulus", "*_u_fourier_param_phase", "*_displace_fourier_id", "*_occ_fourier_id", "*_u_fourier_id", "*_displace_fourier_param_id", "*_occ_fourier_param_id", "*_u_fourier_param_id", "*_occ_fourier_absolute_site_label", "*_occ_fourier_absolute", "*_moment_fourier_atom_site_label", "*_moment_fourier_axis", "*_moment_fourier_wave_vector_seq_id", "*_moment_fourier_param_cos", "*_moment_fourier_param_sin", "*_moment_fourier_param_modulus", "*_moment_fourier_param_phase", "*_moment_special_func_atom_site_label", "*_moment_special_func_sawtooth_ax", "*_moment_special_func_sawtooth_ay", "*_moment_special_func_sawtooth_az", "*_moment_special_func_sawtooth_c", "*_moment_special_func_sawtooth_w", "*_displace_legendre_atom_site_label", "*_displace_legendre_axis", "*_displace_legendre_param_order", "*_displace_legendre_param_coeff", "*_u_legendre_atom_site_label", "*_u_legendre_tens_elem", "*_u_legendre_param_order", "*_u_legendre_param_coeff", "*_occ_legendre_atom_site_label", "*_occ_legendre_param_order", "*_occ_legendre_param_coeff", "*_displace_fourier_cos", "*_displace_fourier_sin", "*_occ_fourier_cos", "*_occ_fourier_sin", "*_u_fourier_cos", "*_u_fourier_sin"]), -"NONE", -1); +"NONE", -1, +"SEP", "_"); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MSRdr.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MSRdr.js index d2e7e84b..c266ebc0 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MSRdr.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/MSRdr.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("J.adapter.readers.cif"); -Clazz.load (["J.adapter.smarter.MSInterface"], "J.adapter.readers.cif.MSRdr", ["java.lang.Boolean", "$.Exception", "$.Float", "java.util.Hashtable", "JU.Lst", "$.M3", "$.Matrix", "$.P3", "$.PT", "J.adapter.readers.cif.Subsystem", "J.adapter.smarter.AtomSetCollectionReader", "JU.BSUtil", "$.BoxInfo", "$.Escape", "$.Logger", "$.Modulation", "$.ModulationSet", "$.Vibration"], function () { +Clazz.load (["J.adapter.smarter.MSInterface"], "J.adapter.readers.cif.MSRdr", ["java.lang.Boolean", "$.Float", "java.util.Hashtable", "JU.Lst", "$.M3", "$.Matrix", "$.P3", "$.PT", "J.adapter.readers.cif.Subsystem", "J.adapter.smarter.AtomSetCollectionReader", "JU.BSUtil", "$.BoxInfo", "$.Escape", "$.Logger", "$.Modulation", "$.ModulationSet", "$.Vibration"], function () { c$ = Clazz.decorateAsClass (function () { this.cr = null; this.modDim = 0; @@ -197,7 +197,7 @@ if (pt[2] == 1 && key.charAt (2) != 'S' && key.charAt (2) != 'T' && key.charAt ( var ipt = key.indexOf ("?"); if (ipt >= 0) { var s = key.substring (ipt + 1); -pt = this.getMod (key.substring (0, 2) + s + "#*;*"); +pt = this.getMod (key.substring (0, 2) + "_" + s + "#*;*"); if (pt != null) this.addModulation (map, key = key.substring (0, ipt), pt, iModel); } else { var a = pt[0]; @@ -258,8 +258,10 @@ var p = Clazz.newDoubleArray (params.length, 0); for (var i = p.length; --i >= 0; ) p[i] = params[i]; var qcoefs = this.getQCoefs (key); -if (qcoefs == null) throw new Exception ("Missing cell wave vector for atom wave vector for " + key + " " + JU.Escape.e (params)); -this.addAtomModulation (atomName, axis, type, p, utens, qcoefs); +if (qcoefs == null) { +System.err.println ("Missing cell wave vector for atom wave vector for " + key + " " + JU.Escape.e (params)); +break; +}this.addAtomModulation (atomName, axis, type, p, utens, qcoefs); this.haveAtomMods = true; break; } @@ -293,7 +295,9 @@ if (this.qlist100 == null) { this.qlist100 = Clazz.newDoubleArray (this.modDim, 0); this.qlist100[0] = 1; }return this.qlist100; -}return this.getMod ("F_coefs_" + fn); +}var p = this.getMod ("F_coefs_" + fn); +if (p == null) p = this.getMod ("F_" + fn + "_coefs_"); +return p; }, "~S"); Clazz.overrideMethod (c$, "getModType", function (key) { @@ -321,7 +325,7 @@ var jmin = (this.modDim < 2 ? 0 : -3); var jmax = (this.modDim < 2 ? 0 : 3); var kmin = (this.modDim < 3 ? 0 : -3); var kmax = (this.modDim < 3 ? 0 : 3); -for (var i = -3; i <= 3; i++) for (var j = jmin; j <= jmax; j++) for (var k = kmin; k <= kmax; k++) { +for (var i = -4; i <= 4; i++) for (var j = jmin; j <= jmax; j++) for (var k = kmin; k <= kmax; k++) { pt.setT (this.qs[0]); pt.scale (i); if (this.modDim > 1 && this.qs[1] != null) pt.scaleAdd2 (j, this.qs[1], pt); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/Subsystem.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/Subsystem.js index c19b1ab4..3fa874d9 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/Subsystem.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/Subsystem.js @@ -72,14 +72,14 @@ for (var iop = 0; iop < nOps; iop++) { var rv = s0.getOperationRsVs (iop); var r0 = rv.getRotation (); var v0 = rv.getTranslation (); -var r = this.w.mul (r0).mul (winv); -var v = this.w.mul (v0); +var r = this.cleanMatrix (this.w.mul (r0).mul (winv)); +var v = this.cleanMatrix (this.w.mul (v0)); var code = this.code; if (this.isMixed (r)) { for (var e, $e = this.msRdr.htSubsystems.entrySet ().iterator (); $e.hasNext () && ((e = $e.next ()) || true);) { var ss = e.getValue (); if (ss === this) continue; -var rj = ss.w.mul (r0).mul (winv); +var rj = this.cleanMatrix (ss.w.mul (r0).mul (winv)); if (!this.isMixed (rj)) { r = rj; v = ss.w.mul (v0); @@ -90,6 +90,20 @@ break; JU.Logger.info (this.code + "." + (iop + 1) + (this.code.equals (code) ? " " : ">" + code + " ") + jf); } }, "~B"); +Clazz.defineMethod (c$, "cleanMatrix", + function (m) { +var a = m.getArray (); +var d1 = a.length; +var d2 = a[0].length; +for (var i = d1; --i >= 0; ) for (var j = d2; --j >= 0; ) if (J.adapter.readers.cif.Subsystem.approxZero (a[i][j])) a[i][j] = 0; + + +return m; +}, "JU.Matrix"); +c$.approxZero = Clazz.defineMethod (c$, "approxZero", + function (d) { +return d < 1e-7 && d > -1.0E-7; +}, "~N"); Clazz.defineMethod (c$, "isMixed", function (r) { var a = r.getArray (); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/TopoCifParser.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/TopoCifParser.js new file mode 100644 index 00000000..0c735b4d --- /dev/null +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/cif/TopoCifParser.js @@ -0,0 +1,1164 @@ +Clazz.declarePackage ("J.adapter.readers.cif"); +Clazz.load (["J.adapter.readers.cif.CifReader", "J.adapter.smarter.Atom", "$.Bond", "JU.Lst", "$.P3"], "J.adapter.readers.cif.TopoCifParser", ["java.lang.Double", "$.Exception", "$.Float", "java.util.Hashtable", "JU.BS", "J.adapter.readers.cif.Cif2DataParser", "J.api.JmolAdapter", "JS.SymmetryOperation", "JU.BSUtil", "$.JmolMolecule"], function () { +c$ = Clazz.decorateAsClass (function () { +this.reader = null; +this.atoms = null; +this.nodes = null; +this.links = null; +this.nets = null; +this.singleNet = null; +this.netCount = 0; +this.linkCount = 0; +this.atomCount = 0; +this.temp1 = null; +this.temp2 = null; +this.ac0 = -1; +this.bc0 = 0; +this.cifParser = null; +this.failed = null; +this.ops = null; +this.i0 = 0; +this.b0 = 0; +this.allowedTypes = null; +this.netNotes = ""; +this.sym = null; +this.selectedNet = null; +if (!Clazz.isClassDefined ("J.adapter.readers.cif.TopoCifParser.TNet")) { +J.adapter.readers.cif.TopoCifParser.$TopoCifParser$TNet$ (); +} +if (!Clazz.isClassDefined ("J.adapter.readers.cif.TopoCifParser.TAtom")) { +J.adapter.readers.cif.TopoCifParser.$TopoCifParser$TAtom$ (); +} +if (!Clazz.isClassDefined ("J.adapter.readers.cif.TopoCifParser.TNode")) { +J.adapter.readers.cif.TopoCifParser.$TopoCifParser$TNode$ (); +} +if (!Clazz.isClassDefined ("J.adapter.readers.cif.TopoCifParser.TLink")) { +J.adapter.readers.cif.TopoCifParser.$TopoCifParser$TLink$ (); +} +Clazz.instantialize (this, arguments); +}, J.adapter.readers.cif, "TopoCifParser", null, J.adapter.readers.cif.CifReader.Parser); +Clazz.prepareFields (c$, function () { +this.atoms = new JU.Lst (); +this.nodes = new JU.Lst (); +this.links = new JU.Lst (); +this.nets = new JU.Lst (); +this.temp1 = new JU.P3 (); +this.temp2 = new JU.P3 (); +}); +c$.getBondType = Clazz.defineMethod (c$, "getBondType", +function (type, order) { +if (type == null) return 0; +type = type.toUpperCase (); +if (type.equals ("V")) return (order == 0 ? 1 : order); +if (type.equals ("sb")) type = "?"; +switch (type.charAt (0)) { +case 'V': +return 14; +} +if (type.length > 3) type = type.substring (0, 3); +return Math.max (1, Clazz.doubleToInt (J.adapter.readers.cif.TopoCifParser.linkTypes.indexOf (type) / 3)); +}, "~S,~N"); +Clazz.makeConstructor (c$, +function () { +}); +Clazz.overrideMethod (c$, "setReader", +function (reader) { +if (!reader.checkFilterKey ("TOPOL")) { +reader.appendLoadNote ("This file has Topology analysis records.\nUse LOAD \"\" {1 1 1} FILTER \"TOPOL\" to load the topology."); +return this; +}this.reader = reader; +var net = reader.getFilter ("TOPOLNET="); +this.selectedNet = net; +var types = reader.getFilter ("TOPOS_TYPES="); +if (types == null) types = reader.getFilter ("TOPOS_TYPE="); +if (types != null && types.length > 0) { +types = "+" + types.toLowerCase () + "+"; +this.allowedTypes = types; +}this.i0 = reader.baseAtomIndex; +this.b0 = reader.baseBondIndex; +return this; +}, "J.adapter.readers.cif.CifReader"); +Clazz.overrideMethod (c$, "ProcessRecord", +function (key, data) { +if (this.reader == null || this.failed != null) { +return; +}var pt = key.indexOf ("."); +if (pt < 0) { +pt = key.indexOf ('_', key.indexOf ('_', 1) + 1); +if (pt < 0) return; +key = key.substring (0, pt) + '.' + key.substring (pt + 1); +}this.processBlock (key); +}, "~S,~S"); +Clazz.overrideMethod (c$, "processBlock", +function (key) { +if (this.reader == null || this.failed != null) { +return false; +}if (this.ac0 < 0) { +this.ac0 = this.reader.asc.ac; +this.bc0 = this.reader.asc.bondCount; +}if (this.reader.ucItems != null) { +this.reader.allow_a_len_1 = true; +for (var i = 0; i < 6; i++) this.reader.setUnitCellItem (i, this.reader.ucItems[i]); + +}this.reader.parseLoopParameters (J.adapter.readers.cif.TopoCifParser.topolFields); +this.cifParser = this.reader.cifParser; +if (key.startsWith ("_topol_net")) { +this.processNets (); +} else if (key.startsWith ("_topol_link")) { +this.processLinks (); +} else if (key.startsWith ("_topol_node")) { +this.processNodes (); +} else if (key.startsWith ("_topol_atom")) { +this.processAtoms (); +} else { +return false; +}return true; +}, "~S"); +Clazz.defineMethod (c$, "processNets", + function () { +while (this.cifParser.getData ()) { +var id = this.getDataValue (0); +var netLabel = this.getDataValue (1); +if (id == null) id = "" + (this.netCount + 1); +var net = this.getNetFor (id, netLabel, true); +net.specialDetails = this.getDataValue (2); +net.line = this.reader.line; +} +}); +Clazz.defineMethod (c$, "processLinks", + function () { +while (this.cifParser.getData ()) { +var t = this.getDataValue (18); +var type = (t == null ? null : t.toLowerCase ()); +if (this.allowedTypes != null && (type == null || this.allowedTypes.indexOf ("+" + type + "+") < 0)) continue; +var link = Clazz.innerTypeInstance (J.adapter.readers.cif.TopoCifParser.TLink, this, null); +link.type = type; +var t1 = Clazz.newIntArray (3, 0); +var t2 = Clazz.newIntArray (3, 0); +var n = this.cifParser.getColumnCount (); +for (var i = 0; i < n; ++i) { +var p = this.reader.fieldProperty (i); +var field = this.reader.field; +switch (p) { +case 3: +link.id = field; +break; +case 4: +link.netID = field; +break; +case 5: +link.nodeIds[0] = field; +break; +case 6: +link.nodeIds[1] = field; +break; +case 56: +link.nodeLabels[0] = field; +break; +case 57: +link.nodeLabels[1] = field; +break; +case 46: +case 7: +link.symops[0] = this.getInt (field) - 1; +break; +case 50: +case 12: +link.symops[1] = this.getInt (field) - 1; +break; +case 21: +link.topoOrder = this.getInt (field); +break; +case 54: +case 47: +case 48: +case 49: +case 8: +case 9: +case 10: +case 11: +t1 = this.processTranslation (p, t1, field); +break; +case 55: +case 51: +case 52: +case 53: +case 13: +case 14: +case 15: +case 16: +t2 = this.processTranslation (p, t2, field); +break; +case 17: +link.cartesianDistance = this.getFloat (field); +break; +case 19: +link.multiplicity = this.getInt (field); +break; +case 20: +link.voronoiAngle = this.getFloat (field); +} +} +if (!link.setLink (t1, t2, this.reader.line)) { +this.failed = "invalid link! " + link; +return; +}this.links.addLast (link); +} +}); +Clazz.defineMethod (c$, "processNodes", + function () { +while (this.cifParser.getData ()) { +var node = Clazz.innerTypeInstance (J.adapter.readers.cif.TopoCifParser.TNode, this, null); +var t = Clazz.newIntArray (3, 0); +var n = this.cifParser.getColumnCount (); +for (var i = 0; i < n; ++i) { +var p = this.reader.fieldProperty (i); +var field = this.reader.field; +switch (p) { +case 22: +node.id = field; +break; +case 24: +node.label = field; +break; +case 23: +node.netID = field; +break; +case 25: +node.symop = this.getInt (field) - 1; +break; +case 26: +case 27: +case 28: +case 29: +t = this.processTranslation (p, t, field); +break; +case 30: +node.x = this.getFloat (field); +break; +case 31: +node.y = this.getFloat (field); +break; +case 32: +node.z = this.getFloat (field); +break; +} +} +if (node.setNode (t, this.reader.line)) this.nodes.addLast (node); +} +}); +Clazz.defineMethod (c$, "processAtoms", + function () { +while (this.cifParser.getData ()) { +var atom = Clazz.innerTypeInstance (J.adapter.readers.cif.TopoCifParser.TAtom, this, null); +var t = Clazz.newIntArray (3, 0); +var n = this.cifParser.getColumnCount (); +for (var i = 0; i < n; ++i) { +var p = this.reader.fieldProperty (i); +var field = this.reader.field; +switch (p) { +case 33: +atom.id = field; +break; +case 34: +atom.atomLabel = field; +break; +case 35: +atom.nodeID = field; +break; +case 36: +atom.linkID = field; +break; +case 37: +atom.symop = this.getInt (field) - 1; +break; +case 38: +case 39: +case 40: +case 41: +t = this.processTranslation (p, t, field); +break; +case 42: +atom.x = this.getFloat (field); +break; +case 43: +atom.y = this.getFloat (field); +break; +case 44: +atom.z = this.getFloat (field); +break; +case 45: +atom.elementSymbol = field; +break; +} +} +if (atom.setAtom (t, this.reader.line)) this.atoms.addLast (atom); +} +}); +Clazz.defineMethod (c$, "processTranslation", + function (p, t, field) { +switch (p) { +case 54: +case 55: +case 8: +case 13: +case 26: +case 38: +t = J.adapter.readers.cif.Cif2DataParser.getIntArrayFromStringList (field, 3); +break; +case 47: +case 51: +case 9: +case 14: +case 27: +case 39: +t[0] = this.getInt (field); +break; +case 48: +case 52: +case 10: +case 15: +case 28: +case 40: +t[1] = this.getInt (field); +break; +case 49: +case 53: +case 11: +case 16: +case 29: +case 41: +t[2] = this.getInt (field); +break; +} +return t; +}, "~N,~A,~S"); +Clazz.overrideMethod (c$, "finalizeReader", +function () { +if (this.reader == null || this.reader.symops == null) return false; +this.cifParser = null; +this.reader.applySymmetryToBonds = true; +var symops = this.reader.symops; +var nOps = symops.size (); +this.ops = new Array (nOps); +for (var i = 0; i < nOps; i++) { +this.ops[i] = JS.SymmetryOperation.getMatrixFromXYZ ("!" + symops.get (i)); +} +for (var i = 0; i < this.atoms.size (); i++) { +this.atoms.get (i).finalizeAtom (); +} +this.sym = this.reader.getSymmetry (); +for (var i = 0; i < this.links.size (); i++) { +this.links.get (i).finalizeLink (); +} +for (var i = this.links.size (); --i >= 0; ) { +if (!this.links.get (i).finalized) this.links.remove (i); +} +if (this.reader.doApplySymmetry) { +this.reader.applySymmetryAndSetTrajectory (); +}if (this.selectedNet != null) this.selectNet (); +return true; +}); +Clazz.defineMethod (c$, "selectNet", + function () { +var net = this.getNetFor (null, this.selectedNet, false); +if (net == null) { +net = this.getNetFor (this.selectedNet, null, false); +}if (net == null) return; +var bsAtoms = this.reader.asc.bsAtoms; +if (bsAtoms == null) bsAtoms = this.reader.asc.bsAtoms = JU.BSUtil.newBitSet2 (0, this.reader.asc.ac); +var atoms = this.reader.asc.atoms; +for (var i = this.reader.asc.ac; --i >= 0; ) { +var a = atoms[i]; +if (!(Clazz.instanceOf (a, J.adapter.readers.cif.TopoCifParser.TPoint)) || (a).getNet () !== net) { +bsAtoms.clear (i); +}} +}); +Clazz.overrideMethod (c$, "finalizeSymmetry", +function (haveSymmetry) { +if (this.reader == null || !haveSymmetry || this.links.size () == 0) return; +var bsConnected = new JU.BS (); +var bsAtoms = new JU.BS (); +var nLinks = this.processAssociations (bsConnected, bsAtoms); +var bsExclude = J.adapter.readers.cif.TopoCifParser.shiftBits (bsAtoms, bsConnected); +if (bsConnected.cardinality () > 0) { +this.reader.asc.bsAtoms = bsAtoms; +this.reader.asc.atomSetInfo.put ("bsExcludeBonding", bsExclude); +}this.reader.appendLoadNote ("TopoCifParser created " + bsConnected.cardinality () + " nodes and " + nLinks + " links"); +var info = new JU.Lst (); +for (var i = 0, n = this.links.size (); i < n; i++) { +info.addLast (this.links.get (i).getLinkInfo ()); +} +this.reader.asc.setCurrentModelInfo ("topology", info); +var script = "if (autobond) {delete !connected && !(atomName LIKE \'*_Link*\' or atomName LIKE \'*_Node*\')}; display displayed or " + this.nets.get (0).label + "__*"; +this.reader.addJmolScript (script); +for (var i = 0; i < this.nets.size (); i++) { +this.nets.get (i).finalizeNet (); +} +}, "~B"); +c$.shiftBits = Clazz.defineMethod (c$, "shiftBits", +function (bsAtoms, bs) { +var bsNew = new JU.BS (); +for (var pt = 0, i = bsAtoms.nextSetBit (0); i >= 0; i = bsAtoms.nextSetBit (i + 1)) { +while (bsAtoms.get (i)) { +bsNew.setBitTo (pt++, bs.get (i++)); +} +} +return bsNew; +}, "JU.BS,JU.BS"); +Clazz.defineMethod (c$, "processAssociations", + function (bsConnected, bsAtoms) { +var nlinks = 0; +var bsAtoms0 = this.reader.asc.bsAtoms; +var atoms = this.reader.asc.atoms; +for (var i = this.reader.asc.ac; --i >= this.ac0; ) { +var a = atoms[i]; +if (bsAtoms0 != null && !bsAtoms0.get (i)) continue; +var idx = a.sequenceNumber; +if (idx == -2147483648 || idx == 0) continue; +if (idx > 0) { +var node = this.getAssociatedNodeByIdx (idx - 1); +if (node.bsAtoms == null) node.bsAtoms = new JU.BS (); +node.bsAtoms.set (this.i0 + a.index); +} else { +var link = this.getAssoiatedLinkByIdx (-idx - 1); +if (link != null) { +if (link.bsAtoms == null) link.bsAtoms = new JU.BS (); +link.bsAtoms.set (this.i0 + a.index); +}}bsAtoms.set (a.index); +} +var checkDistance = this.reader.doPackUnitCell; +var distance; +var bonds = this.reader.asc.bonds; +for (var i = this.reader.asc.bondCount; --i >= this.bc0; ) { +var b = bonds[i]; +if (b.order >= 33554432) { +bonds[i] = null; +} else if (b.order >= 16777216) { +if (bsAtoms0 != null && (!bsAtoms0.get (b.atomIndex1) || !bsAtoms0.get (b.atomIndex2))) { +bonds[i] = null; +continue; +}b.order -= 16777216; +var link = this.getAssoiatedLinkByIdx (b.order >> 4); +if (checkDistance && Math.abs ((distance = this.calculateDistance (atoms[b.atomIndex1], atoms[b.atomIndex2])) - link.distance) >= J.adapter.readers.cif.TopoCifParser.ERROR_TOLERANCE) { +System.err.println ("Distance error! removed! distance=" + distance + " for " + link + link.linkNodes[0] + link.linkNodes[1]); +bonds[i] = null; +continue; +}if (link.bsBonds == null) link.bsBonds = new JU.BS (); +link.bsBonds.set (this.b0 + i); +switch (b.order & 0xF) { +default: +b.order = 1; +break; +case 2: +b.order = 2; +break; +case 3: +b.order = 3; +break; +case 4: +b.order = 4; +break; +case 5: +b.order = 5; +break; +case 6: +b.order = 6; +break; +case 10: +b.order = 1; +break; +case 11: +case 12: +b.order = 515; +break; +case 13: +b.order = 2048; +break; +case 14: +b.order = 33; +break; +} +bsConnected.set (b.atomIndex1); +bsConnected.set (b.atomIndex2); +nlinks++; +}} +bsAtoms.or (bsConnected); +if (bsAtoms0 != null) bsAtoms.and (bsAtoms0); +for (var i = this.nodes.size (); --i >= 0; ) { +var node = this.nodes.get (i); +if (node.bsAtoms != null) { +node.bsAtoms = J.adapter.readers.cif.TopoCifParser.shiftBits (bsAtoms, node.bsAtoms); +}} +for (var i = this.links.size (); --i >= 0; ) { +var link = this.links.get (i); +if (link.bsAtoms != null) { +link.bsAtoms = J.adapter.readers.cif.TopoCifParser.shiftBits (bsAtoms, link.bsAtoms); +}} +return nlinks; +}, "JU.BS,JU.BS"); +c$.isEqualD = Clazz.defineMethod (c$, "isEqualD", +function (p1, p2, d) { +return (Double.isNaN (d) || Math.abs (p1.distance (p2) - d) < J.adapter.readers.cif.TopoCifParser.ERROR_TOLERANCE); +}, "JU.T3,JU.T3,~N"); +Clazz.defineMethod (c$, "getDataValue", + function (key) { +var f = this.reader.getField (key); +return ("\0".equals (f) ? null : f); +}, "~N"); +Clazz.defineMethod (c$, "getInt", + function (f) { +return (f == null ? -2147483648 : this.reader.parseIntStr (f)); +}, "~S"); +Clazz.defineMethod (c$, "getFloat", + function (f) { +return (f == null ? NaN : this.reader.parseFloatStr (f)); +}, "~S"); +c$.getMF = Clazz.defineMethod (c$, "getMF", +function (tatoms) { +var n = tatoms.size (); +if (n < 2) return (n == 0 ? "" : tatoms.get (0).elementSymbol); +var atNos = Clazz.newIntArray (n, 0); +for (var i = 0; i < n; i++) { +atNos[i] = J.api.JmolAdapter.getElementNumber (tatoms.get (i).getElementSymbol ()); +} +var m = new JU.JmolMolecule (); +m.atNos = atNos; +return m.getMolecularFormula (false, null, false); +}, "JU.Lst"); +c$.setTAtom = Clazz.defineMethod (c$, "setTAtom", +function (a, b) { +b.setT (a); +b.formalCharge = a.formalCharge; +b.bondRadius = a.bondRadius; +}, "J.adapter.smarter.Atom,J.adapter.smarter.Atom"); +c$.setElementSymbol = Clazz.defineMethod (c$, "setElementSymbol", +function (a, sym) { +var name = a.atomName; +if (sym == null) { +a.atomName = (a.atomName == null ? "X" : a.atomName.substring (a.atomName.indexOf ('_') + 1)); +} else { +a.atomName = sym; +}a.getElementSymbol (); +a.atomName = name; +}, "J.adapter.smarter.Atom,~S"); +c$.applySymmetry = Clazz.defineMethod (c$, "applySymmetry", +function (a, ops, op, t) { +if (op >= 0) { +if (op >= 1 || t.x != 0 || t.y != 0 || t.z != 0) { +if (op >= 1) ops[op].rotTrans (a); +a.add (t); +}}}, "J.adapter.smarter.Atom,~A,~N,JU.T3"); +Clazz.defineMethod (c$, "getNetByID", +function (id) { +for (var i = this.nets.size (); --i >= 0; ) { +var n = this.nets.get (i); +if (n.id.equalsIgnoreCase (id)) return n; +} +var n = Clazz.innerTypeInstance (J.adapter.readers.cif.TopoCifParser.TNet, this, null, this.netCount++, id, "Net" + id, null); +this.nets.addLast (n); +return n; +}, "~S"); +Clazz.defineMethod (c$, "getAtomFromName", +function (atomLabel) { +return (atomLabel == null ? null : this.reader.asc.getAtomFromName (atomLabel)); +}, "~S"); +Clazz.defineMethod (c$, "calculateDistance", +function (p1, p2) { +this.temp1.setT (p1); +this.temp2.setT (p2); +this.sym.toCartesian (this.temp1, true); +this.sym.toCartesian (this.temp2, true); +return this.temp1.distance (this.temp2); +}, "JU.P3,JU.P3"); +Clazz.defineMethod (c$, "getNetFor", +function (id, label, forceNew) { +var net = null; +if (id != null) { +net = this.getNetByID (id); +if (net != null && label != null && forceNew) net.label = label; +} else if (label != null) { +for (var i = this.nets.size (); --i >= 0; ) { +var n = this.nets.get (i); +if (n.label.equalsIgnoreCase (label)) { +net = n; +break; +}} +}if (net == null) { +if (!forceNew) return null; +net = this.getNetByID (id == null ? "1" : id); +}if (net != null && label != null && forceNew) net.label = label; +return net; +}, "~S,~S,~B"); +Clazz.defineMethod (c$, "getAssociatedNodeByIdx", +function (idx) { +for (var i = this.nodes.size (); --i >= 0; ) { +var n = this.nodes.get (i); +if (n.idx == idx) return n; +} +return null; +}, "~N"); +Clazz.defineMethod (c$, "getAssoiatedLinkByIdx", +function (idx) { +for (var i = this.links.size (); --i >= 0; ) { +var l = this.links.get (i); +if (l.idx == idx) return l; +} +return null; +}, "~N"); +Clazz.defineMethod (c$, "findNode", +function (nodeID, op, trans) { +for (var i = this.nodes.size (); --i >= 0; ) { +var n = this.nodes.get (i); +if (n.id.equals (nodeID) && (op < 0 && n.linkSymop == 0 && n.linkTrans.equals (J.adapter.readers.cif.TopoCifParser.ZERO) || n.linkSymop == op && n.linkTrans.equals (trans))) return n; +} +return null; +}, "~S,~N,JU.P3"); +c$.$TopoCifParser$TNet$ = function () { +Clazz.pu$h(self.c$); +c$ = Clazz.decorateAsClass (function () { +Clazz.prepareCallback (this, arguments); +this.line = null; +this.id = null; +this.nLinks = 0; +this.nNodes = 0; +this.label = null; +this.specialDetails = null; +this.idx = 0; +this.hasAtoms = false; +Clazz.instantialize (this, arguments); +}, J.adapter.readers.cif.TopoCifParser, "TNet"); +Clazz.makeConstructor (c$, +function (a, b, c, d) { +this.idx = a; +this.id = b; +this.label = c; +this.specialDetails = d; +}, "~N,~S,~S,~S"); +Clazz.defineMethod (c$, "finalizeNet", +function () { +if (this.id == null) this.id = "" + (this.idx + 1); +if (this.b$["J.adapter.readers.cif.TopoCifParser"].selectedNet != null && !this.label.equalsIgnoreCase (this.b$["J.adapter.readers.cif.TopoCifParser"].selectedNet) && !this.id.equalsIgnoreCase (this.b$["J.adapter.readers.cif.TopoCifParser"].selectedNet)) return; +var a = "," + this.id + ","; +if (this.b$["J.adapter.readers.cif.TopoCifParser"].netNotes.indexOf (a) < 0) { +this.b$["J.adapter.readers.cif.TopoCifParser"].reader.appendLoadNote ("Net " + this.label + (this.specialDetails == null ? "" : " '" + this.specialDetails + "'") + " created from " + this.nLinks + " links and " + this.nNodes + " nodes.\n" + "Use DISPLAY " + (this.hasAtoms ? this.label + "__* to display it without associated atoms\nUse DISPLAY " + this.label + "_* to display it with its associated atoms" : this.label + "* to display it" + "")); +}}); +c$ = Clazz.p0p (); +}; +c$.$TopoCifParser$TAtom$ = function () { +Clazz.pu$h(self.c$); +c$ = Clazz.decorateAsClass (function () { +Clazz.prepareCallback (this, arguments); +this.id = null; +this.atomLabel = null; +this.nodeID = null; +this.linkID = null; +this.symop = 0; +this.trans = null; +this.line = null; +this.isFinalized = false; +this.idx = 0; +this.net = null; +Clazz.instantialize (this, arguments); +}, J.adapter.readers.cif.TopoCifParser, "TAtom", J.adapter.smarter.Atom, J.adapter.readers.cif.TopoCifParser.TPoint); +Clazz.prepareFields (c$, function () { +this.trans = new JU.P3 (); +}); +Clazz.makeConstructor (c$, +function () { +Clazz.superConstructor (this, J.adapter.readers.cif.TopoCifParser.TAtom); +var a = 0; +}); +Clazz.defineMethod (c$, "getTClone", +function () { +try { +var a = this.clone (); +a.idx = this.b$["J.adapter.readers.cif.TopoCifParser"].atomCount++; +return a; +} catch (e) { +if (Clazz.exceptionOf (e, CloneNotSupportedException)) { +return null; +} else { +throw e; +} +} +}); +Clazz.overrideMethod (c$, "getNet", +function () { +return this.net; +}); +Clazz.defineMethod (c$, "setAtom", +function (a, b) { +this.line = b; +if (Float.isNaN (this.x) != Float.isNaN (this.y) || Float.isNaN (this.y) != Float.isNaN (this.z)) return false; +this.idx = this.b$["J.adapter.readers.cif.TopoCifParser"].atomCount++; +if (Float.isNaN (this.x)) { +this.trans = JU.P3.new3 (a[0], a[1], a[2]); +} else { +this.symop = 0; +}this.atomName = this.atomLabel; +return true; +}, "~A,~S"); +Clazz.defineMethod (c$, "finalizeAtom", +function () { +if (this.isFinalized) return; +this.isFinalized = true; +var a = this.b$["J.adapter.readers.cif.TopoCifParser"].getAtomFromName (this.atomLabel); +J.adapter.readers.cif.TopoCifParser.setElementSymbol (this, this.elementSymbol); +if (a == null && Float.isNaN (this.x)) { +throw new Exception ("_topol_atom: no atom " + this.atomLabel + " line=" + this.line); +}var b = null; +if (this.nodeID != null) { +b = this.b$["J.adapter.readers.cif.TopoCifParser"].findNode (this.nodeID, -1, null); +}var c = null; +if (this.linkID != null) { +c = this.getLinkById (this.linkID); +}if (b == null && c == null) { +System.out.println ("TAtom " + this + " ignored"); +return; +}if (a != null && Float.isNaN (this.x)) { +J.adapter.readers.cif.TopoCifParser.setTAtom (a, this); +J.adapter.readers.cif.TopoCifParser.applySymmetry (this, this.b$["J.adapter.readers.cif.TopoCifParser"].ops, this.symop, this.trans); +}this.atomName = this.atomLabel; +if (b != null) { +b.addAtom (this); +}var d = this; +if (c != null) d = c.addAtom (this); +this.b$["J.adapter.readers.cif.TopoCifParser"].reader.addCifAtom (this, this.atomName, null, null); +if (d !== this) this.b$["J.adapter.readers.cif.TopoCifParser"].reader.addCifAtom (d, this.atomName, null, null); +}); +Clazz.defineMethod (c$, "getLinkById", + function (a) { +for (var b = this.b$["J.adapter.readers.cif.TopoCifParser"].links.size (); --b >= 0; ) { +var c = this.b$["J.adapter.readers.cif.TopoCifParser"].links.get (b); +if (c.id.equalsIgnoreCase (a)) return c; +} +return null; +}, "~S"); +Clazz.defineMethod (c$, "toString", +function () { +return this.line + " " + Clazz.superCall (this, J.adapter.readers.cif.TopoCifParser.TAtom, "toString", []); +}); +c$ = Clazz.p0p (); +}; +c$.$TopoCifParser$TNode$ = function () { +Clazz.pu$h(self.c$); +c$ = Clazz.decorateAsClass (function () { +Clazz.prepareCallback (this, arguments); +this.id = null; +this.atomLabel = null; +this.netID = null; +this.label = null; +this.symop = 0; +this.trans = null; +this.tatoms = null; +this.bsAtoms = null; +this.linkSymop = 0; +this.linkTrans = null; +this.net = null; +this.isFinalized = false; +this.idx = 0; +this.atom = null; +this.line = null; +this.mf = null; +Clazz.instantialize (this, arguments); +}, J.adapter.readers.cif.TopoCifParser, "TNode", J.adapter.smarter.Atom, J.adapter.readers.cif.TopoCifParser.TPoint); +Clazz.prepareFields (c$, function () { +this.trans = new JU.P3 (); +this.linkTrans = new JU.P3 (); +}); +Clazz.makeConstructor (c$, +function () { +Clazz.superConstructor (this, J.adapter.readers.cif.TopoCifParser.TNode); +var a = 0; +}); +Clazz.makeConstructor (c$, +function (a, b, c, d, e) { +Clazz.superConstructor (this, J.adapter.readers.cif.TopoCifParser.TNode); +this.idx = a; +this.atom = b; +this.net = c; +this.linkSymop = d; +this.linkTrans = e; +this.label = this.atomName = this.atomLabel = b.atomName; +this.elementSymbol = b.elementSymbol; +J.adapter.readers.cif.TopoCifParser.setTAtom (b, this); +}, "~N,J.adapter.smarter.Atom,J.adapter.readers.cif.TopoCifParser.TNet,~N,JU.P3"); +Clazz.defineMethod (c$, "getMolecularFormula", +function () { +return (this.mf == null ? (this.mf = J.adapter.readers.cif.TopoCifParser.getMF (this.tatoms)) : this.mf); +}); +Clazz.overrideMethod (c$, "getNet", +function () { +return this.net; +}); +Clazz.defineMethod (c$, "setNode", +function (a, b) { +this.line = b; +if (this.tatoms == null) { +if (Float.isNaN (this.x) != Float.isNaN (this.y) || Float.isNaN (this.y) != Float.isNaN (this.z)) return false; +this.idx = this.b$["J.adapter.readers.cif.TopoCifParser"].atomCount++; +if (Float.isNaN (this.x)) { +this.trans = JU.P3.new3 (a[0], a[1], a[2]); +} else { +this.symop = 0; +}}return true; +}, "~A,~S"); +Clazz.defineMethod (c$, "addAtom", +function (a) { +if (this.tatoms == null) this.tatoms = new JU.Lst (); +a.atomName = "Node_" + a.nodeID + "_" + a.atomLabel; +this.tatoms.addLast (a); +}, "J.adapter.readers.cif.TopoCifParser.TAtom"); +Clazz.defineMethod (c$, "finalizeNode", +function (a) { +if (this.isFinalized) return; +this.isFinalized = true; +if (this.net == null) this.net = this.b$["J.adapter.readers.cif.TopoCifParser"].getNetFor (this.netID, null, true); +var b = !Float.isNaN (this.x); +var c; +if (this.tatoms == null) { +c = null; +if (!b) { +throw new Exception ("_topol_node no atom " + this.atomLabel + " line=" + this.line); +}} else { +if (Float.isNaN (this.x)) this.setCentroid (); +if (this.tatoms.size () == 1) { +var d = this.tatoms.get (0); +this.elementSymbol = d.elementSymbol; +this.atomLabel = d.atomLabel; +this.formalCharge = d.formalCharge; +this.tatoms = null; +} else { +this.net.hasAtoms = true; +this.elementSymbol = "Xx"; +for (var d = this.tatoms.size (); --d >= 0; ) { +var e = this.tatoms.get (d); +e.sequenceNumber = this.idx + 1; +if (e.atomName == null || !e.atomName.startsWith (this.net.label + "_")) e.atomName = this.net.label + "_" + e.atomName; +e.net = this.net; +} +}c = this; +}if ((c != null && c === this.atom) || !b) { +if (c !== this) { +J.adapter.readers.cif.TopoCifParser.setTAtom (c, this); +}J.adapter.readers.cif.TopoCifParser.applySymmetry (this, a, this.symop, this.trans); +}this.atomName = this.net.label.$replace (' ', '_') + "__"; +if (this.label != null && this.label.startsWith (this.atomName)) { +this.atomName = ""; +}this.atomName += (this.label != null ? this.label : this.atomLabel != null ? this.atomLabel : "Node_" + this.id); +this.addNode (); +}, "~A"); +Clazz.defineMethod (c$, "addNode", + function () { +this.b$["J.adapter.readers.cif.TopoCifParser"].reader.addCifAtom (this, this.atomName, null, null); +this.net.nNodes++; +if (this.tatoms != null && this.tatoms.size () > 1) this.b$["J.adapter.readers.cif.TopoCifParser"].reader.appendLoadNote ("_topos_node " + this.id + " " + this.atomName + " has formula " + this.getMolecularFormula ()); +}); +Clazz.defineMethod (c$, "setCentroid", + function () { +this.x = this.y = this.z = 0; +var a = this.tatoms.size (); +for (var b = a; --b >= 0; ) this.add (this.tatoms.get (b)); + +this.x /= a; +this.y /= a; +this.z /= a; +}); +Clazz.defineMethod (c$, "info", +function () { +return "[node idx=" + this.idx + " id=" + this.id + " " + this.label + "/" + this.atomName + " " + Clazz.superCall (this, J.adapter.readers.cif.TopoCifParser.TNode, "toString", []) + "]"; +}); +Clazz.defineMethod (c$, "toString", +function () { +return this.info (); +}); +Clazz.defineMethod (c$, "copy", +function () { +var a = this.clone (); +a.idx = this.b$["J.adapter.readers.cif.TopoCifParser"].atomCount++; +if (a.isFinalized) a.addNode (); +if (this.tatoms != null) { +a.tatoms = new JU.Lst (); +for (var b = 0, c = this.tatoms.size (); b < c; b++) { +var d = this.tatoms.get (b).getTClone (); +a.tatoms.addLast (d); +this.b$["J.adapter.readers.cif.TopoCifParser"].reader.addCifAtom (d, d.atomName, null, null); +} +}return a; +}); +Clazz.defineMethod (c$, "clone", +function () { +try { +return Clazz.superCall (this, J.adapter.readers.cif.TopoCifParser.TNode, "clone", []); +} catch (e) { +if (Clazz.exceptionOf (e, CloneNotSupportedException)) { +return null; +} else { +throw e; +} +} +}); +c$ = Clazz.p0p (); +}; +c$.$TopoCifParser$TLink$ = function () { +Clazz.pu$h(self.c$); +c$ = Clazz.decorateAsClass (function () { +Clazz.prepareCallback (this, arguments); +this.id = null; +this.nodeIds = null; +this.nodeLabels = null; +this.symops = null; +this.translations = null; +this.netID = null; +this.netLabel = null; +this.type = ""; +this.multiplicity = 0; +this.topoOrder = 0; +this.voronoiAngle = 0; +this.cartesianDistance = 0; +this.idx = 0; +this.net = null; +this.linkNodes = null; +this.typeBondOrder = 0; +this.tatoms = null; +this.bsAtoms = null; +this.bsBonds = null; +this.line = null; +this.finalized = false; +this.mf = null; +Clazz.instantialize (this, arguments); +}, J.adapter.readers.cif.TopoCifParser, "TLink", J.adapter.smarter.Bond); +Clazz.prepareFields (c$, function () { +this.nodeIds = new Array (2); +this.nodeLabels = new Array (2); +this.symops = Clazz.newIntArray (2, 0); +this.translations = new Array (2); +this.linkNodes = new Array (2); +}); +Clazz.makeConstructor (c$, +function () { +Clazz.superConstructor (this, J.adapter.readers.cif.TopoCifParser.TLink); +var a = 0; +}); +Clazz.defineMethod (c$, "setLink", +function (a, b, c) { +this.line = c; +this.idx = this.b$["J.adapter.readers.cif.TopoCifParser"].linkCount++; +if (this.nodeIds[1] == null) this.nodeIds[1] = this.nodeIds[0]; +this.typeBondOrder = J.adapter.readers.cif.TopoCifParser.getBondType (this.type, this.topoOrder); +this.translations[0] = JU.P3.new3 (a[0], a[1], a[2]); +this.translations[1] = JU.P3.new3 (b[0], b[1], b[2]); +System.out.println ("TopoCifParser.setLink " + this); +return true; +}, "~A,~A,~S"); +Clazz.defineMethod (c$, "addAtom", +function (a) { +if (this.tatoms == null) this.tatoms = new JU.Lst (); +if (a.nodeID != null) { +a = a.getTClone (); +a.nodeID = null; +}a.atomName = "Link_" + a.linkID + "_" + a.atomLabel; +this.tatoms.addLast (a); +return a; +}, "J.adapter.readers.cif.TopoCifParser.TAtom"); +Clazz.defineMethod (c$, "finalizeLink", +function () { +this.netID = (this.nodeIds[0] == null ? null : this.b$["J.adapter.readers.cif.TopoCifParser"].findNode (this.nodeIds[0], -1, null).netID); +if (this.netID == null && this.netLabel == null) { +if (this.b$["J.adapter.readers.cif.TopoCifParser"].nets.size () > 0) this.net = this.b$["J.adapter.readers.cif.TopoCifParser"].nets.get (0); + else this.net = this.b$["J.adapter.readers.cif.TopoCifParser"].getNetFor (null, null, true); +} else { +this.net = this.b$["J.adapter.readers.cif.TopoCifParser"].getNetFor (this.netID, this.netLabel, true); +}this.netLabel = this.net.label; +this.net.nLinks++; +if (this.b$["J.adapter.readers.cif.TopoCifParser"].selectedNet != null) { +if (!this.b$["J.adapter.readers.cif.TopoCifParser"].selectedNet.equalsIgnoreCase (this.net.label) && !this.b$["J.adapter.readers.cif.TopoCifParser"].selectedNet.equalsIgnoreCase (this.net.id)) { +return; +}}this.finalizeLinkNode (0); +this.finalizeLinkNode (1); +if (this.tatoms != null) { +var a = this.tatoms.size (); +this.net.hasAtoms = true; +for (var b = a; --b >= 0; ) { +var c = this.tatoms.get (b); +c.sequenceNumber = -this.idx - 1; +c.atomName = this.netLabel + "_" + c.atomName; +c.net = this.net; +} +if (a >= 0) { +this.mf = J.adapter.readers.cif.TopoCifParser.getMF (this.tatoms); +this.b$["J.adapter.readers.cif.TopoCifParser"].reader.appendLoadNote ("_topos_link " + this.id + " for net " + this.netLabel + " has formula " + this.mf); +}}this.order = 16777216 + (this.idx << 4) + this.typeBondOrder; +this.distance = this.b$["J.adapter.readers.cif.TopoCifParser"].calculateDistance (this.linkNodes[0], this.linkNodes[1]); +if (this.cartesianDistance != 0 && Math.abs (this.distance - this.cartesianDistance) >= J.adapter.readers.cif.TopoCifParser.ERROR_TOLERANCE) System.err.println ("Distance error! distance=" + this.distance + " for " + this.line); +System.out.println ("link d=" + this.distance + " " + this + this.linkNodes[0] + this.linkNodes[1]); +this.b$["J.adapter.readers.cif.TopoCifParser"].reader.asc.addBond (this); +this.finalized = true; +}); +Clazz.defineMethod (c$, "getMolecularFormula", +function () { +return (this.mf == null ? (this.mf = J.adapter.readers.cif.TopoCifParser.getMF (this.tatoms)) : this.mf); +}); +Clazz.defineMethod (c$, "finalizeLinkNode", + function (a) { +var b = this.nodeIds[a]; +var c = this.nodeLabels[a]; +var d = this.symops[a]; +var e = this.translations[a]; +var f = this.getNodeWithSym (b, c, d, e); +var g = f; +if (f == null && b != null) { +f = this.getNodeWithSym (b, null, -1, null); +}var h = (f == null && c != null ? this.b$["J.adapter.readers.cif.TopoCifParser"].getAtomFromName (c) : null); +if (h != null) { +f = Clazz.innerTypeInstance (J.adapter.readers.cif.TopoCifParser.TNode, this, null, this.b$["J.adapter.readers.cif.TopoCifParser"].atomCount++, h, this.net, d, e); +} else if (f != null) { +if (g == null) f = f.copy (); +f.linkSymop = d; +f.linkTrans = e; +this.nodeLabels[a] = f.atomName; +} else { +throw new Exception ("_topol_link: no atom or node " + c + " line=" + this.line); +}this.b$["J.adapter.readers.cif.TopoCifParser"].nodes.addLast (f); +this.linkNodes[a] = f; +if (a == 1 && f === this.linkNodes[0]) { +this.linkNodes[1] = f.copy (); +}f.finalizeNode (this.b$["J.adapter.readers.cif.TopoCifParser"].ops); +if (g == null) J.adapter.readers.cif.TopoCifParser.applySymmetry (f, this.b$["J.adapter.readers.cif.TopoCifParser"].ops, d, e); +if (a == 0) { +this.atomIndex1 = f.index; +} else { +this.atomIndex2 = f.index; +}}, "~N"); +Clazz.defineMethod (c$, "getNodeWithSym", + function (a, b, c, d) { +if (a != null) return this.b$["J.adapter.readers.cif.TopoCifParser"].findNode (a, c, d); +for (var e = this.b$["J.adapter.readers.cif.TopoCifParser"].nodes.size (); --e >= 0; ) { +var f = this.b$["J.adapter.readers.cif.TopoCifParser"].nodes.get (e); +if (f.label.equals (b) && (c == -1 && f.linkSymop == 0 && f.linkTrans.equals (J.adapter.readers.cif.TopoCifParser.ZERO) || c == f.linkSymop && d.equals (f.linkTrans))) return f; +} +return null; +}, "~S,~S,~N,JU.P3"); +Clazz.defineMethod (c$, "getLinkInfo", +function () { +var a = new java.util.Hashtable (); +a.put ("index", Integer.$valueOf (this.idx + 1)); +if (this.id != null) a.put ("id", this.id); +a.put ("netID", this.net.id); +a.put ("netLabel", this.net.label); +if (this.nodeLabels[0] != null) a.put ("nodeLabel1", this.nodeLabels[0]); +if (this.nodeLabels[1] != null) a.put ("nodeLabel2", this.nodeLabels[1]); +if (this.nodeIds[0] != null) a.put ("nodeId1", this.nodeIds[0]); +if (this.nodeIds[1] != null) a.put ("nodeId2", this.nodeIds[1]); +a.put ("distance", Float.$valueOf (this.cartesianDistance)); +if (!Float.isNaN (this.distance)) a.put ("distance", Float.$valueOf (this.distance)); +a.put ("symops1", Integer.$valueOf (this.symops[0] + 1)); +a.put ("symops2", Integer.$valueOf (this.symops[1] + 1)); +a.put ("translation1", this.translations[0]); +a.put ("translation2", this.translations[1]); +a.put ("multiplicity", Integer.$valueOf (this.multiplicity)); +if (this.type != null) a.put ("type", this.type); +a.put ("voronoiSolidAngle", Float.$valueOf (this.voronoiAngle)); +a.put ("atomIndex1", Integer.$valueOf (this.b$["J.adapter.readers.cif.TopoCifParser"].i0 + this.linkNodes[0].index)); +a.put ("atomIndex2", Integer.$valueOf (this.b$["J.adapter.readers.cif.TopoCifParser"].i0 + this.linkNodes[1].index)); +if (this.bsAtoms != null && this.bsAtoms.cardinality () > 0) a.put ("representedAtoms", this.bsAtoms); +a.put ("topoOrder", Integer.$valueOf (this.topoOrder)); +a.put ("order", Integer.$valueOf (this.typeBondOrder)); +return a; +}); +Clazz.defineMethod (c$, "info", +function () { +return "[link " + this.line + " : " + this.distance + "]"; +}); +Clazz.overrideMethod (c$, "toString", +function () { +return this.info (); +}); +c$ = Clazz.p0p (); +}; +Clazz.declareInterface (J.adapter.readers.cif.TopoCifParser, "TPoint"); +Clazz.defineStatics (c$, +"TOPOL_LINK", 0x1000000, +"TOPOL_GROUP", 0x2000000, +"TOPOL_NODE", 0x4000000, +"LINK_TYPE_GENERIC_LINK", 0, +"LINK_TYPE_SINGLE", 1, +"LINK_TYPE_DOUBLE", 2, +"LINK_TYPE_TRIPLE", 3, +"LINK_TYPE_QUADRUPLE", 4, +"LINK_TYPE_QUINTUPLE", 5, +"LINK_TYPE_SEXTUPLE", 6, +"LINK_TYPE_SEPTUPLE", 7, +"LINK_TYPE_OCTUPLE", 8, +"LINK_TYPE_AROM", 9, +"LINK_TYPE_POLY", 0xA, +"LINK_TYPE_DELO", 0xB, +"LINK_TYPE_PI", 0xC, +"LINK_TYPE_HBOND", 0xD, +"LINK_TYPE_VDW", 0xE, +"LINK_TYPE_OTHER", 0xF, +"linkTypes", "? SINDOUTRIQUAQUISEXSEPOCTAROPOLDELPI HBOVDW", +"LINK_TYPE_BITS", 4, +"ERROR_TOLERANCE", 0.001, +"topolFields", Clazz.newArray (-1, ["_topol_net_id", "_topol_net_label", "_topol_net_special_details", "_topol_link_id", "_topol_link_net_id", "_topol_link_node_id_1", "_topol_link_node_id_2", "_topol_link_symop_id_1", "_topol_link_translation_1", "_topol_link_translation_1_x", "_topol_link_translation_1_y", "_topol_link_translation_1_z", "_topol_link_symop_id_2", "_topol_link_translation_2", "_topol_link_translation_2_x", "_topol_link_translation_2_y", "_topol_link_translation_2_z", "_topol_link_distance", "_topol_link_type", "_topol_link_multiplicity", "_topol_link_voronoi_solidangle", "_topol_link_order", "_topol_node_id", "_topol_node_net_id", "_topol_node_label", "_topol_node_symop_id", "_topol_node_translation", "_topol_node_translation_x", "_topol_node_translation_y", "_topol_node_translation_z", "_topol_node_fract_x", "_topol_node_fract_y", "_topol_node_fract_z", "_topol_atom_id", "_topol_atom_atom_label", "_topol_atom_node_id", "_topol_atom_link_id", "_topol_atom_symop_id", "_topol_atom_translation", "_topol_atom_translation_x", "_topol_atom_translation_y", "_topol_atom_translation_z", "_topol_atom_fract_x", "_topol_atom_fract_y", "_topol_atom_fract_z", "_topol_atom_element_symbol", "_topol_link_site_symmetry_symop_1", "_topol_link_site_symmetry_translation_1_x", "_topol_link_site_symmetry_translation_1_y", "_topol_link_site_symmetry_translation_1_z", "_topol_link_site_symmetry_symop_2", "_topol_link_site_symmetry_translation_2_x", "_topol_link_site_symmetry_translation_2_y", "_topol_link_site_symmetry_translation_2_z", "_topol_link_site_symmetry_translation_1", "_topol_link_site_symmetry_translation_2", "_topol_link_node_label_1", "_topol_link_node_label_2", "_topol_link_atom_label_1", "_topol_link_atom_label_2"]), +"topol_net_id", 0, +"topol_net_label", 1, +"topol_net_special_details", 2, +"topol_link_id", 3, +"topol_link_net_id", 4, +"topol_link_node_id_1", 5, +"topol_link_node_id_2", 6, +"topol_link_symop_id_1", 7, +"topol_link_translation_1", 8, +"topol_link_translation_1_x", 9, +"topol_link_translation_1_y", 10, +"topol_link_translation_1_z", 11, +"topol_link_symop_id_2", 12, +"topol_link_translation_2", 13, +"topol_link_translation_2_x", 14, +"topol_link_translation_2_y", 15, +"topol_link_translation_2_z", 16, +"topol_link_distance", 17, +"topol_link_type", 18, +"topol_link_multiplicity", 19, +"topol_link_voronoi_solidangle", 20, +"topol_link_order", 21, +"topol_node_id", 22, +"topol_node_net_id", 23, +"topol_node_label", 24, +"topol_node_symop_id", 25, +"topol_node_translation", 26, +"topol_node_translation_x", 27, +"topol_node_translation_y", 28, +"topol_node_translation_z", 29, +"topol_node_fract_x", 30, +"topol_node_fract_y", 31, +"topol_node_fract_z", 32, +"topol_atom_id", 33, +"topol_atom_atom_label", 34, +"topol_atom_node_id", 35, +"topol_atom_link_id", 36, +"topol_atom_symop_id", 37, +"topol_atom_translation", 38, +"topol_atom_translation_x", 39, +"topol_atom_translation_y", 40, +"topol_atom_translation_z", 41, +"topol_atom_fract_x", 42, +"topol_atom_fract_y", 43, +"topol_atom_fract_z", 44, +"topol_atom_element_symbol", 45, +"topol_link_site_symmetry_symop_1_DEPRECATED", 46, +"topol_link_site_symmetry_translation_1_x_DEPRECATED", 47, +"topol_link_site_symmetry_translation_1_y_DEPRECATED", 48, +"topol_link_site_symmetry_translation_1_z_DEPRECATED", 49, +"topol_link_site_symmetry_symop_2_DEPRECATED", 50, +"topol_link_site_symmetry_translation_2_x_DEPRECATED", 51, +"topol_link_site_symmetry_translation_2_y_DEPRECATED", 52, +"topol_link_site_symmetry_translation_2_z_DEPRECATED", 53, +"topol_link_site_symmetry_translation_1_DEPRECATED", 54, +"topol_link_site_symmetry_translation_2_DEPRECATED", 55, +"topol_link_node_label_1_DEPRECATED", 56, +"topol_link_node_label_2_DEPRECATED", 57); +c$.ZERO = c$.prototype.ZERO = new JU.P3 (); +}); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/molxyz/MolReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/molxyz/MolReader.js index e5201ded..81a2f791 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/molxyz/MolReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/molxyz/MolReader.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("J.adapter.readers.molxyz"); -Clazz.load (["J.adapter.smarter.AtomSetCollectionReader"], "J.adapter.readers.molxyz.MolReader", ["java.lang.Exception", "java.util.Hashtable", "JU.Lst", "$.PT", "J.adapter.smarter.Atom", "J.api.JmolAdapter", "JU.Logger"], function () { +Clazz.load (["J.adapter.smarter.AtomSetCollectionReader"], "J.adapter.readers.molxyz.MolReader", ["java.lang.Exception", "java.util.Hashtable", "JU.BS", "$.Lst", "$.PT", "J.adapter.smarter.Atom", "J.api.JmolAdapter", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.optimize2D = false; this.haveAtomSerials = false; @@ -44,8 +44,18 @@ this.finalizeReaderMR (); }); Clazz.defineMethod (c$, "finalizeReaderMR", function () { -if (this.optimize2D) this.set2D (); -this.isTrajectory = false; +if (this.is2D && !this.optimize2D) this.appendLoadNote ("This model is 2D. Its 3D structure has not been generated; use LOAD \"\" FILTER \"2D\" to optimize 3D."); +if (this.optimize2D) { +this.set2D (); +if (this.asc.bsAtoms == null) { +this.asc.bsAtoms = new JU.BS (); +this.asc.bsAtoms.setBits (0, this.asc.ac); +}for (var i = this.asc.bondCount; --i >= 0; ) { +var b = this.asc.bonds[i]; +if (this.asc.atoms[b.atomIndex2].elementSymbol.equals ("H") && b.order != 1025 && b.order != 1041) { +this.asc.bsAtoms.clear (b.atomIndex2); +}} +}this.isTrajectory = false; this.finalizeReaderASCR (); }); Clazz.defineMethod (c$, "processMolSdHeader", @@ -57,10 +67,9 @@ header += this.line + "\n"; this.rd (); if (this.line == null) return; header += this.line + "\n"; -this.set2D (this.line.length >= 22 && this.line.substring (20, 22).equals ("2D")); +this.is2D = (this.line.length >= 22 && this.line.substring (20, 22).equals ("2D")); if (this.is2D) { if (!this.allow2D) throw new Exception ("File is 2D, not 3D"); -this.appendLoadNote ("This model is 2D. Its 3D structure has not been generated."); }this.rd (); if (this.line == null) return; this.line = this.line.trim (); @@ -99,7 +108,7 @@ var iAtom = -2147483648; x = this.parseFloatRange (this.line, 0, 10); y = this.parseFloatRange (this.line, 10, 20); z = this.parseFloatRange (this.line, 20, 30); -if (this.is2D && z != 0) this.set2D (false); +if (this.is2D && z != 0) this.is2D = this.optimize2D = false; if (len < 34) { elementSymbol = this.line.substring (31).trim (); } else { @@ -129,7 +138,7 @@ var stereo = 0; iAtom1 = this.line.substring (0, 3).trim (); iAtom2 = this.line.substring (3, 6).trim (); var order = this.parseIntRange (this.line, 6, 9); -if (this.optimize2D && order == 1 && this.line.length >= 12) stereo = this.parseIntRange (this.line, 9, 12); +if (this.is2D && order == 1 && this.line.length >= 12) stereo = this.parseIntRange (this.line, 9, 12); order = this.fixOrder (order, stereo); if (this.haveAtomSerials) this.asc.addNewBondFromNames (iAtom1, iAtom2, order); else this.asc.addNewBondWithOrder (this.iatom0 + this.parseIntStr (iAtom1) - 1, this.iatom0 + this.parseIntStr (iAtom2) - 1, order); @@ -153,11 +162,6 @@ molData.put (atomValueName == null ? "atom_values" : atomValueName.toString (), this.asc.setCurrentModelInfo ("molDataKeys", _keyList); this.asc.setCurrentModelInfo ("molData", molData); }}, "~N,~N"); -Clazz.defineMethod (c$, "set2D", - function (b) { -this.is2D = b; -this.asc.setInfo ("dimension", (b ? "2D" : "3D")); -}, "~B"); Clazz.defineMethod (c$, "readAtomValues", function () { this.atomData = new Array (this.atomCount); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/molxyz/V3000Rdr.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/molxyz/V3000Rdr.js index 6d9842f1..ce4a617c 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/molxyz/V3000Rdr.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/molxyz/V3000Rdr.js @@ -18,6 +18,7 @@ Clazz.defineMethod (c$, "readAtomsAndBonds", function (tokens) { var ac = this.mr.parseIntStr (tokens[3]); this.readAtoms (ac); +this.mr.asc.setModelInfoForSet ("dimension", (this.mr.is2D ? "2D" : "3D"), this.mr.asc.iSet); this.readBonds (this.mr.parseIntStr (tokens[4])); this.readUserData (ac); }, "~A"); @@ -36,6 +37,7 @@ var y = this.mr.parseFloatStr (tokens[5]); var z = this.mr.parseFloatStr (tokens[6]); var charge = 0; var isotope = 0; +if (this.mr.is2D && z != 0) this.mr.is2D = this.mr.optimize2D = false; for (var j = 7; j < tokens.length; j++) { var s = tokens[j].toUpperCase (); if (s.startsWith ("CHG=")) charge = this.mr.parseIntAt (tokens[j], 4); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/pdb/PdbReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/pdb/PdbReader.js index 1da35171..58b67a7e 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/pdb/PdbReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/pdb/PdbReader.js @@ -117,6 +117,7 @@ if (isAtom || isModel) this.getHeader = false; this.isMultiModel = isModel; this.getHeader = false; var modelNo = (forceNewModel ? this.modelNumber + 1 : this.getModelNumber ()); +var modelName = this.getModelName (); this.modelNumber = (this.useFileModelNumbers ? modelNo : this.modelNumber + 1); if (!this.doGetModel (this.modelNumber, null)) { this.handleTlsMissingModels (); @@ -125,7 +126,7 @@ if (!isOK && this.isConcatenated) isOK = this.continuing = true; return isOK; }if (!this.isCourseGrained) this.connectAll (this.maxSerial, this.isConnectStateBug); if (this.ac > 0) this.applySymmetryAndSetTrajectory (); -this.model (modelNo); +this.model (modelNo, modelName); if (this.isLegacyModelType || !isAtom) return true; }if (this.isMultiModel && !this.doProcessLines) { return true; @@ -221,8 +222,8 @@ this.finalizeReaderPDB (); Clazz.defineMethod (c$, "finalizeReaderPDB", function () { this.checkNotPDB (); -if (this.pdbID != null) { -this.asc.setAtomSetName (this.pdbID); +if (this.pdbID != null && this.pdbID.length > 0) { +if (!this.isMultiModel) this.asc.setAtomSetName (this.pdbID); this.asc.setCurrentModelInfo ("pdbID", this.pdbID); }this.checkUnitCellParams (); if (!this.isCourseGrained) this.connectAll (this.maxSerial, this.isConnectStateBug); @@ -747,20 +748,27 @@ if (endModelColumn > this.lineLength) endModelColumn = this.lineLength; var iModel = this.parseIntRange (this.line, startModelColumn, endModelColumn); return (iModel == -2147483648 ? 0 : iModel); }); +Clazz.defineMethod (c$, "getModelName", + function () { +if (this.lineLength < 16) return null; +var name = this.line.substring (15, this.lineLength).trim (); +return (name.length == 0 ? null : name); +}); Clazz.defineMethod (c$, "model", -function (modelNumber) { +function (modelNumber, name) { this.checkNotPDB (); +if (name == null) name = this.pdbID; this.haveMappedSerials = false; this.sbConect = null; this.asc.newAtomSet (); this.asc.setCurrentModelInfo ("pdbID", this.pdbID); if (this.asc.iSet == 0 || this.isTrajectory) this.asc.setAtomSetName (this.pdbID); - else this.asc.setCurrentModelInfo ("name", this.pdbID); +this.asc.setCurrentModelInfo ("name", name); this.checkUnitCellParams (); if (!this.isCourseGrained) this.setModelPDB (true); this.asc.setCurrentAtomSetNumber (modelNumber); if (this.isCourseGrained) this.asc.setCurrentModelInfo ("courseGrained", Boolean.TRUE); -}, "~N"); +}, "~N,~S"); Clazz.defineMethod (c$, "checkNotPDB", function () { var isPDB = (!this.isCourseGrained && (this.nRes == 0 || this.nUNK != this.nRes)); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/pymol/PyMOLReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/pymol/PyMOLReader.js index 45646f1d..f7b77646 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/pymol/PyMOLReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/pymol/PyMOLReader.js @@ -204,7 +204,7 @@ this.desiredModelNumber = pymolState; }var n = names.size (); for (var j = 0; j < this.stateCount; j++) { if (!this.doGetModel (++this.nModels, null)) continue; -this.model (this.nModels); +this.model (this.nModels, null); this.pymolScene.currentAtomSetIndex = this.asc.iSet; if (this.isTrajectory) { this.trajectoryStep = new Array (this.totalAtomCount); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/AdfReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/AdfReader.js index 7d5470d8..fd3cdc53 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/AdfReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/AdfReader.js @@ -207,7 +207,7 @@ this.addMo (sym, moPt, occ, energy); var iAtom0 = this.asc.getLastAtomSetAtomIndex (); for (var i = 0; i < nBF; i++) this.slaterArray[i].atomNo += iAtom0 + 1; -this.setSlaters (true, true); +this.setSlaters (true); this.sortOrbitals (); this.setMOs ("eV"); }, "~S"); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/BasisFunctionReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/BasisFunctionReader.js index 03431a5d..8b63bde3 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/BasisFunctionReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/BasisFunctionReader.js @@ -2,6 +2,8 @@ Clazz.declarePackage ("J.adapter.readers.quantum"); Clazz.load (["J.adapter.smarter.AtomSetCollectionReader", "java.util.Hashtable", "JU.Lst", "J.quantum.QS"], "J.adapter.readers.quantum.BasisFunctionReader", ["java.util.Arrays", "JU.PT", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.shells = null; +this.slaters = null; +this.slaterArray = null; this.moData = null; this.orbitals = null; this.nOrbitals = 0; @@ -120,6 +122,8 @@ function () { this.orbitals = new JU.Lst (); this.moData = new java.util.Hashtable (); this.alphaBeta = ""; +this.slaterArray = null; +this.slaters = null; }); c$.$BasisFunctionReader$MOEnergySorter$ = function () { Clazz.pu$h(self.c$); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/CsfReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/CsfReader.js index d64d8321..670b255e 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/CsfReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/CsfReader.js @@ -397,7 +397,7 @@ if (zetas[ipt][i] == 0) break; this.createSphericalSlaterByType (iAtom, this.atomicNumbers[iAtom], types[ipt], zetas[ipt][i] * (i == 0 ? 1 : -1), contractionCoefs == null ? 1 : contractionCoefs[ipt][i]); } } -this.setSlaters (true, false); +this.setSlaters (false); }}, "~S"); Clazz.defineStatics (c$, "objCls1", 1, diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/DgridReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/DgridReader.js index b2f527e8..1efdd241 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/DgridReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/DgridReader.js @@ -56,6 +56,7 @@ Clazz.defineMethod (c$, "readMolecularOrbitals", function () { this.htFuncMap = new java.util.Hashtable (); this.readLines (3); +this.getSlaters (); while (this.line != null && this.line.indexOf (":") != 0) { this.discardLinesUntilContains ("sym: "); var symmetry = this.line.substring (4, 10).trim (); @@ -113,7 +114,7 @@ var occupancy = this.parseFloatRange (this.line, 31, 45) + this.parseFloatRange this.orbitals.get (i).put ("occupancy", Float.$valueOf (occupancy)); } this.sortOrbitals (); -this.setSlaters (true, true); +this.setSlaters (true); this.setMOs ("eV"); }); Clazz.defineMethod (c$, "createSlaterData", diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessReader.js index 1854b452..a573c5b4 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessReader.js @@ -1,19 +1,48 @@ Clazz.declarePackage ("J.adapter.readers.quantum"); -Clazz.load (["J.adapter.readers.quantum.MOReader"], "J.adapter.readers.quantum.GamessReader", ["java.lang.Float", "java.util.Hashtable", "JU.AU", "$.Lst", "$.PT", "J.adapter.readers.quantum.BasisFunctionReader", "JU.Logger"], function () { +Clazz.load (["J.adapter.readers.quantum.MopacSlaterReader"], "J.adapter.readers.quantum.GamessReader", ["java.lang.Float", "java.util.Hashtable", "JU.AU", "$.Lst", "$.PT", "J.adapter.readers.quantum.BasisFunctionReader", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.atomNames = null; this.calcOptions = null; this.isTypeSet = false; Clazz.instantialize (this, arguments); -}, J.adapter.readers.quantum, "GamessReader", J.adapter.readers.quantum.MOReader); +}, J.adapter.readers.quantum, "GamessReader", J.adapter.readers.quantum.MopacSlaterReader); +Clazz.defineMethod (c$, "initializeReader", +function () { +this.allowMopacDCoef = false; +Clazz.superCall (this, J.adapter.readers.quantum.GamessReader, "initializeReader", []); +}); +Clazz.defineMethod (c$, "setAtom", +function (atom, atomicNumber, name, id) { +atom.elementNumber = atomicNumber; +atom.atomName = name; +this.atomNames.addLast (id == null ? name : id); +}, "J.adapter.smarter.Atom,~N,~S,~S"); Clazz.defineMethod (c$, "readEnergy", function () { -var tokens = JU.PT.getTokens (this.line.substring (this.line.indexOf ("ENERGY"))); -if (tokens.length < 3) return; -var strEnergy = tokens[2]; +var searchTerm = "ENERGY"; +var energyToken = 2; +var energyType = "ENERGY"; +if (this.line.indexOf ("E(MP2)") > 0) { +searchTerm = "E(MP2)="; +energyType = "MP2"; +energyToken = 1; +} else if (this.line.indexOf ("E(CCSD)") > 0) { +searchTerm = "E(CCSD)"; +energyType = "CCSD"; +energyToken = 2; +} else if (this.line.indexOf ("E( CCSD(T))") > 0) { +searchTerm = "E( CCSD(T))"; +energyType = "CCSD(T)"; +energyToken = 3; +}var tokens = JU.PT.getTokens (this.line.substring (this.line.indexOf (searchTerm))); +if (tokens.length < energyToken + 1) return; +var strEnergy = tokens[energyToken]; var e = this.parseFloatStr (strEnergy); -if (!Float.isNaN (e)) this.asc.setAtomSetEnergy (strEnergy, e); -}); +if (!Float.isNaN (e)) { +this.asc.setAtomSetEnergy (strEnergy, e); +this.asc.setCurrentModelInfo ("EnergyType", energyType); +if (!energyType.equals ("ENERGY")) this.appendLoadNote ("GamessReader Energy type " + energyType); +}}); Clazz.defineMethod (c$, "readGaussianBasis", function (initiator, terminator) { var gdata = new JU.Lst (); @@ -154,6 +183,11 @@ var SCFtype = this.calcOptions.get ("contrl_options_SCFTYP"); var Runtype = this.calcOptions.get ("contrl_options_RUNTYP"); var igauss = this.calcOptions.get ("basis_options_IGAUSS"); var gbasis = this.calcOptions.get ("basis_options_GBASIS"); +if (gbasis != null && "AM1 MNDO PM3 PM6 PM7 RM1".indexOf (gbasis) >= 0) { +this.mopacBasis = J.adapter.readers.quantum.MopacSlaterReader.getMopacAtomZetaSPD (gbasis); +this.getSlaters (); +this.calculationType = gbasis; +} else { var DFunc = !"0".equals (this.calcOptions.get ("basis_options_NDFUNC")); var PFunc = !"0".equals (this.calcOptions.get ("basis_options_NPFUNC")); var FFunc = !"0".equals (this.calcOptions.get ("basis_options_NFFUNC")); @@ -218,7 +252,7 @@ this.calculationType += "MP" + perturb; }if (SCFtype != null) { if (this.calculationType.length > 0) this.calculationType += " "; this.calculationType += SCFtype + " " + Runtype; -}}}); +}}}}); Clazz.defineMethod (c$, "readControlInfo", function () { this.readCalculationInfo ("contrl_options_"); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessUKReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessUKReader.js index aeeba656..dfcfea74 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessUKReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessUKReader.js @@ -47,7 +47,7 @@ var tokens = this.getTokens (); var atomicNumber = Clazz.floatToInt (this.parseFloatStr (tokens[2])); var atom = this.setAtomCoordScaled (null, tokens, 3, 0.5291772); atom.elementSymbol = J.adapter.smarter.AtomSetCollectionReader.getElementSymbol (atomicNumber); -this.atomNames.addLast (atom.atomName = tokens[1]); +this.setAtom (atom, atomicNumber, tokens[1], null); } }); Clazz.overrideMethod (c$, "fixShellTag", diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessUSReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessUSReader.js index cb6098cb..71cc06af 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessUSReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GamessUSReader.js @@ -14,8 +14,9 @@ function () { if (this.line.startsWith (" $DATA")) return this.readInputDeck (); if (this.line.indexOf ("***************") >= 0) JU.Logger.info (this.rd ()); var isBohr; -if (this.line.indexOf ("FINAL ENERGY IS") >= 0 || this.line.indexOf ("TOTAL ENERGY = ") >= 0 || this.line.indexOf ("FINAL RHF ENERGY IS") >= 0) this.readEnergy (); -if (this.line.indexOf ("BASIS OPTIONS") >= 0) { +if (this.line.indexOf ("FINAL ENERGY IS") >= 0 || this.line.indexOf ("TOTAL ENERGY = ") >= 0 || this.line.indexOf ("FINAL RHF ENERGY IS") >= 0 || this.line.indexOf ("E(MP2)=") >= 0 || this.line.indexOf ("COUPLED-CLUSTER ENERGY E(CCSD) =") >= 0 || this.line.indexOf ("COUPLED-CLUSTER ENERGY E( CCSD(T)) =") >= 0) { +this.readEnergy (); +}if (this.line.indexOf ("BASIS OPTIONS") >= 0) { this.readBasisInfo (); return true; }if (this.line.indexOf ("$CONTRL OPTIONS") >= 0) { @@ -106,10 +107,10 @@ var y = this.parseFloatRange (this.line, 37, 57); var z = this.parseFloatRange (this.line, 57, 77); if (Float.isNaN (x) || Float.isNaN (y) || Float.isNaN (z)) break; var atom = this.asc.addNewAtom (); -atom.elementSymbol = J.adapter.smarter.AtomSetCollectionReader.getElementSymbol (this.parseIntRange (this.line, 11, 14)); -atom.atomName = atom.elementSymbol + (++n); this.setAtomCoordXYZ (atom, x * 0.5291772, y * 0.5291772, z * 0.5291772); -this.atomNames.addLast (atomName); +var atomicNumber = this.parseIntRange (this.line, 11, 14); +atom.elementSymbol = J.adapter.smarter.AtomSetCollectionReader.getElementSymbol (atomicNumber); +this.setAtom (atom, atomicNumber, atom.elementSymbol + (++n), atomName); } }); Clazz.defineMethod (c$, "readAtomsInAngstromCoordinates", @@ -126,9 +127,9 @@ var z = this.parseFloatRange (this.line, 46, 61); if (Float.isNaN (x) || Float.isNaN (y) || Float.isNaN (z)) break; var atom = this.asc.addNewAtom (); this.setAtomCoordXYZ (atom, x, y, z); -atom.elementSymbol = J.adapter.smarter.AtomSetCollectionReader.getElementSymbol (this.parseIntRange (this.line, 11, 14)); -atom.atomName = atom.elementSymbol + (++n); -this.atomNames.addLast (atomName); +var atomicNumber = this.parseIntRange (this.line, 11, 14); +atom.elementSymbol = J.adapter.smarter.AtomSetCollectionReader.getElementSymbol (atomicNumber); +this.setAtom (atom, atomicNumber, atom.elementSymbol + (++n), atomName); } if (this.line.indexOf ("COORDINATES OF FRAGMENT MULTIPOLE CENTERS (ANGS)") >= 0) { this.rd (); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GaussianReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GaussianReader.js index 48fc86bd..60ee4a76 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GaussianReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GaussianReader.js @@ -315,9 +315,10 @@ var ac = this.asc.getLastAtomSetAtomCount (); var data = new Array (ac); var temp = null; var atomIndices = Clazz.newIntArray (ac, 0); -while (this.line != null && this.line.length > 20) { +while (this.line != null && this.line.length > 20 && this.line.indexOf ("Temperature") < 0) { var symmetries = JU.PT.getTokens (this.rd ()); this.discardLinesUntilContains (" Frequencies"); +if (this.line == null) return; this.isHighPrecision = (this.line.indexOf ("---") > 0); if (this.isHighPrecision ? !this.allowHighPrecision : this.haveHighPrecision) return; if (this.isHighPrecision && !this.haveHighPrecision) { @@ -351,9 +352,10 @@ if (temp[0] == null) break; } } else { var nLines = 0; +var nMin = frequencyCount * 3 + 1; while (true) { this.fillDataBlockFixed (temp, 0, 0, 0); -if (temp[0].length < 10) break; +if (temp[0].length < nMin) break; atomIndices[nLines] = Integer.$valueOf (temp[0][0]).intValue () - 1; data[nLines++] = temp[0]; } diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GenNBOReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GenNBOReader.js index 740b59ab..971b0f48 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GenNBOReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/GenNBOReader.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("J.adapter.readers.quantum"); -Clazz.load (["J.adapter.readers.quantum.MOReader"], "J.adapter.readers.quantum.GenNBOReader", ["java.lang.Boolean", "$.Exception", "$.Float", "java.util.Hashtable", "JU.AU", "$.Lst", "$.P3", "$.PT", "$.Rdr", "$.SB", "J.adapter.readers.quantum.NBOParser", "JU.Logger"], function () { +Clazz.load (["J.adapter.readers.quantum.MOReader"], "J.adapter.readers.quantum.GenNBOReader", ["java.lang.Boolean", "$.Exception", "$.Float", "java.util.Hashtable", "JU.AU", "$.Lst", "$.P3", "$.PT", "$.Rdr", "$.SB", "J.adapter.readers.quantum.NBOParser", "JU.Logger", "JV.FileManager", "$.JC"], function () { c$ = Clazz.decorateAsClass (function () { this.isOutputFile = false; this.nboType = ""; @@ -104,16 +104,21 @@ return structures; }); Clazz.defineMethod (c$, "getFileData", function (ext) { -var fileName = this.htParams.get ("fullPathName"); +var fileName = JV.FileManager.stripTypePrefix (this.htParams.get ("fullPathName")); var pt = fileName.lastIndexOf ("."); if (pt < 0) pt = fileName.length; fileName = fileName.substring (0, pt); this.moData.put ("nboRoot", fileName); +if (ext.startsWith (".")) { fileName += ext; -var data = this.vwr.getFileAsString3 (fileName, false, null); +} else { +pt = fileName.lastIndexOf ("/"); +fileName = fileName.substring (0, pt + 1) + ext; +}var data = this.vwr.getFileAsString3 (fileName, false, null); JU.Logger.info (data.length + " bytes read from " + fileName); var isError = (data.indexOf ("java.io.") >= 0); if (data.length == 0 || isError && this.nboType !== "AO") throw new Exception (" supplemental file " + fileName + " was not found"); +if (!isError) J.adapter.readers.quantum.GenNBOReader.addAuxFile (this.moData, fileName, this.htParams); return (isError ? null : data); }, "~S"); Clazz.defineMethod (c$, "getFile31", @@ -134,13 +139,58 @@ throw e; }); Clazz.defineMethod (c$, "getFile46", function () { -var data = this.getFileData (".46"); -if (data == null) return; +this.nNOs = this.nAOs = this.nOrbitals; +var labelKey = J.adapter.readers.quantum.GenNBOReader.getLabelKey (this.nboType); +var map = null; var readerSave = this.reader; -this.reader = JU.Rdr.getBR (data); -this.readData46 (); +try { +this.reader = JU.Rdr.getBR (this.getFileData (".46")); +map = this.readData46 (labelKey); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +try { +map = this.readOutputProperties (this.getFileData ("output.properties")); +} catch (ee) { +if (Clazz.exceptionOf (ee, Exception)) { +map = new java.util.Hashtable (); +this.setMap (map, "NHO", this.nNOs, false); +this.setMap (map, "NBO", this.nNOs, false); +this.setMap (map, "NAO", this.nNOs, false); +} else { +throw ee; +} +} +} else { +throw e; +} +} +this.setMap (map, labelKey, this.nNOs, true); this.reader = readerSave; }); +Clazz.defineMethod (c$, "readOutputProperties", + function (data) { +var map = new java.util.Hashtable (); +var lines = data.$plit ("\n"); +for (var i = lines.length; --i >= 0; ) { +var line = lines[i]; +if (line.startsWith ("Natural Atomic Orbitals=")) { +this.setLabels (map, "NAO", line); +} else if (line.startsWith ("Natural Hybrid Orbitals=")) { +this.setLabels (map, "NHO", line); +} else if (line.startsWith ("Natural Bond Orbitals=")) { +this.setLabels (map, "NBO", line); +}} +return map; +}, "~S"); +Clazz.defineMethod (c$, "setLabels", + function (map, key, line) { +var tokens = JU.PT.split (line, ":"); +for (var i = tokens.length; --i >= 0; ) { +var s = JU.PT.split (tokens[i], ",")[1]; +tokens[i] = (s.indexOf ("%") >= 0 ? s.substring (0, s.indexOf (" ")) : JU.PT.rep (s, " ", "")); +} +map.put (key, tokens); +}, "java.util.Map,~S,~S"); Clazz.defineMethod (c$, "readData47", function () { this.allowNoOrbitals = true; @@ -151,9 +201,6 @@ while (this.rd ().indexOf ("$END") < 0) { var tokens = this.getTokens (); this.addAtomXYZSymName (tokens, 2, null, null).elementNumber = this.parseIntStr (tokens[0]); } -if (this.doReadMolecularOrbitals && !this.getFile31 ()) { -this.alphaOnly = true; -this.betaOnly = false; this.discardLinesUntilContains ("$BASIS"); this.appendLoadNote ("basis AOs are unnormalized"); var centers = this.getIntData (); @@ -185,7 +232,7 @@ this.line = l; this.getAlphasAndExponents (); this.nboType = "AO"; this.readMOs (); -}this.continuing = false; +this.continuing = false; }); Clazz.defineMethod (c$, "getIntData", function () { @@ -209,11 +256,11 @@ case 1: slater[1] = 0; break; case 3: -if (!this.getDFMap ("P", this.line, 1, J.adapter.readers.quantum.GenNBOReader.$P_LIST, 3)) return false; +if (!this.getDFMap ("P", this.line, 1, J.adapter.readers.quantum.GenNBOReader.$P_LIST, 3) && this.resetDF () && !this.getDFMap ("P", this.line, 1, J.adapter.readers.quantum.GenNBOReader.PS_LIST, 3)) return false; slater[1] = 1; break; case 4: -if (!this.getDFMap ("SP", this.line, 2, J.adapter.readers.quantum.GenNBOReader.SP_LIST, 1)) return false; +if (!this.getDFMap ("SP", this.line, 2, J.adapter.readers.quantum.GenNBOReader.SP_LIST, 1) && this.resetDF () && !this.getDFMap ("SP", this.line, 2, J.adapter.readers.quantum.GenNBOReader.SPS_LIST, 2)) return false; slater[1] = 2; break; case 5: @@ -265,6 +312,11 @@ slater[3] = ng; this.shells.addLast (slater); return true; }, "~A,~N,~N,~N"); +Clazz.defineMethod (c$, "resetDF", + function () { +this.dfCoefMaps[1][0] = 0; +return true; +}); Clazz.defineMethod (c$, "getAlphasAndExponents", function () { for (var j = 0; j < 5; j++) { @@ -324,7 +376,6 @@ this.line = this.rd (); for (var j = Clazz.doubleToInt ((n - 1) / 10); --j >= 0; ) this.line += this.rd ().substring (1); this.line = this.line.trim (); -System.out.println (this.line); if (!this.fillSlater (slater, n, pt, ng)) return false; } this.rd (); @@ -332,12 +383,11 @@ this.getAlphasAndExponents (); return true; }, "~S"); Clazz.defineMethod (c$, "readData46", - function () { + function (labelKey) { var map = new java.util.Hashtable (); var tokens = new Array (0); this.rd (); -var nNOs = this.nNOs = this.nAOs = this.nOrbitals; -var labelKey = J.adapter.readers.quantum.GenNBOReader.getLabelKey (this.nboType); +var nNOs = this.nNOs; while (this.line != null && this.line.length > 0) { tokens = JU.PT.getTokens (this.line); var type = tokens[0]; @@ -352,13 +402,16 @@ nNOs = this.parseIntStr (count); var sb = new JU.SB (); while (this.rd () != null && this.line.length > 4 && " NA NB AO NH".indexOf (this.line.substring (1, 4)) < 0) sb.append (this.line.substring (1)); -System.out.println (sb.length ()); tokens = new Array (Clazz.doubleToInt (sb.length () / 10)); for (var i = 0, pt = 0; i < tokens.length; i++, pt += 10) tokens[i] = JU.PT.rep (sb.substring2 (pt, pt + 10), " ", ""); map.put (key, tokens); } -tokens = map.get ((this.betaOnly ? "beta_" : "") + labelKey); +return map; +}, "~S"); +Clazz.defineMethod (c$, "setMap", + function (map, labelKey, nNOs, doAll) { +var tokens = map.get ((this.betaOnly ? "beta_" : "") + labelKey); this.moData.put ("nboLabelMap", map); if (tokens == null) { tokens = new Array (nNOs); @@ -366,7 +419,8 @@ for (var i = 0; i < nNOs; i++) tokens[i] = this.nboType + (i + 1); map.put (labelKey, tokens); if (this.isOpenShell) map.put ("beta_" + labelKey, tokens); -}this.moData.put ("nboLabels", tokens); +}if (!doAll) return; +this.moData.put ("nboLabels", tokens); this.addBetaSet = (this.isOpenShell && !this.betaOnly && !this.is47File); if (this.addBetaSet) this.nOrbitals *= 2; for (var i = 0; i < this.nOrbitals; i++) this.setMO ( new java.util.Hashtable ()); @@ -378,7 +432,7 @@ J.adapter.readers.quantum.GenNBOReader.setNboLabels (map.get ("beta_" + labelKey }var structures = this.getStructureList (); J.adapter.readers.quantum.NBOParser.getStructures46 (map.get ("NBO"), "alpha", structures, this.asc.ac); J.adapter.readers.quantum.NBOParser.getStructures46 (map.get ("beta_NBO"), "beta", structures, this.asc.ac); -}); +}, "java.util.Map,~S,~N,~B"); c$.getLabelKey = Clazz.defineMethod (c$, "getLabelKey", function (labelKey) { if (labelKey.startsWith ("P")) labelKey = labelKey.substring (1); @@ -388,8 +442,7 @@ return labelKey; }, "~S"); c$.readNBOCoefficients = Clazz.defineMethod (c$, "readNBOCoefficients", function (moData, nboType, vwr) { -var ext = ";AO; ;PNAO;;NAO; ;PNHO;;NHO; ;PNBO;;NBO; ;PNLMO;NLMO;;MO; ;NO;".indexOf (";" + nboType + ";"); -ext = Clazz.doubleToInt (ext / 6) + 31; +var ext = JV.JC.getNBOTypeFromName (nboType); var isAO = nboType.equals ("AO"); var isNBO = nboType.equals ("NBO"); var hasNoBeta = JU.PT.isOneOf (nboType, ";AO;PNAO;NAO;"); @@ -411,7 +464,8 @@ if (orbitals == null) { var data = null; if (!isAO) { var fileName = moData.get ("nboRoot") + "." + ext; -if ((data = vwr.getFileAsString3 (fileName, true, null)) == null) return false; +if ((data = vwr.getFileAsString3 (fileName, true, null)) == null || data.indexOf ("Exception:") >= 0) return false; +J.adapter.readers.quantum.GenNBOReader.addAuxFile (moData, fileName, null); data = data.substring (data.indexOf ("--\n") + 3).toLowerCase (); if (ext == 33) data = data.substring (0, data.indexOf ("--\n") + 3); }orbitals = moData.get ("mos"); @@ -465,6 +519,13 @@ throw e; } return true; }, "java.util.Map,~S,JV.Viewer"); +c$.addAuxFile = Clazz.defineMethod (c$, "addAuxFile", + function (moData, fileName, htParams) { +var auxFiles = moData.get ("auxFiles"); +if (auxFiles == null) moData.put ("auxFiles", auxFiles = new JU.Lst ()); +auxFiles.addLast (fileName); +if (htParams != null) htParams.put ("auxFiles", auxFiles); +}, "java.util.Map,~S,java.util.Map"); c$.getNBOOccupanciesStatic = Clazz.defineMethod (c$, "getNBOOccupanciesStatic", function (orbitals, nAOs, pt, data, len, next) { var occupancies = Clazz.newFloatArray (nAOs, 0); @@ -541,7 +602,9 @@ if (addOccupancy) mo.put ("occupancy", Float.$valueOf (alphaBeta ? 1 : type.inde }, "~A,~N,JU.Lst,~N,~S"); Clazz.defineStatics (c$, "$P_LIST", "101 102 103", +"PS_LIST", "151 152 153", "SP_LIST", "1 101 102 103", +"SPS_LIST", "51 151 152 153", "$DS_LIST", "255 252 253 254 251", "$DC_LIST", "201 204 206 202 203 205", "$FS_LIST", "351 352 353 354 355 356 357", diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MOReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MOReader.js index 9e345616..1bbe417b 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MOReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MOReader.js @@ -13,6 +13,7 @@ this.haveNboOrbitals = false; this.orbitalsRead = false; this.lastMoData = null; this.allowNoOrbitals = false; +this.forceMOPAC = false; this.HEADER_GAMESS_UK_MO = 3; this.HEADER_GAMESS_OCCUPANCIES = 2; this.HEADER_GAMESS_ORIGINAL = 1; @@ -28,14 +29,8 @@ this.getNBOs = (this.filter != null && this.filterMO ()); this.line = "\nNBOCHARGES"; this.getNBOCharges = (this.filter != null && this.filterMO ()); this.checkAndRemoveFilterKey ("NBOCHARGES"); +this.forceMOPAC = this.checkAndRemoveFilterKey ("MOPAC"); }); -Clazz.defineMethod (c$, "checkAndRemoveFilterKey", -function (key) { -if (!this.checkFilterKey (key)) return false; -this.filter = JU.PT.rep (this.filter, key, ""); -if (this.filter.length < 3) this.filter = null; -return true; -}, "~S"); Clazz.defineMethod (c$, "checkNboLine", function () { if (this.getNBOs) { @@ -96,7 +91,8 @@ function (headerType) { if (this.ignoreMOs) { this.rd (); return; -}this.dfCoefMaps = null; +}this.addSlaterBasis (); +this.dfCoefMaps = null; if (this.haveNboOrbitals) { this.orbitals = new JU.Lst (); this.alphaBeta = ""; @@ -213,6 +209,9 @@ this.setMOData (!this.alphaBeta.equals ("alpha")); this.haveCoeffMap = false; this.dfCoefMaps = null; }, "~N"); +Clazz.defineMethod (c$, "addSlaterBasis", +function () { +}); Clazz.defineMethod (c$, "addCoef", function (mo, coefs, type, energy, occ, moCount) { mo.put ("coefficients", coefs); @@ -271,7 +270,8 @@ this.setMO (mos[i]); }, "~N,~A,~A"); Clazz.defineMethod (c$, "setMOData", function (clearOrbitals) { -if (this.shells != null && this.gaussians != null && (this.allowNoOrbitals || this.orbitals.size () != 0)) { +if (!this.allowNoOrbitals && this.orbitals.size () == 0) return; +if (this.shells != null && this.gaussians != null) { this.moData.put ("calculationType", this.calculationType); this.moData.put ("energyUnits", this.energyUnits); this.moData.put ("shells", this.shells); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MoldenReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MoldenReader.js index 6a8803e2..e451ebdc 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MoldenReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MoldenReader.js @@ -8,10 +8,13 @@ this.optOnly = false; this.doSort = true; this.orbitalType = ""; this.modelAtomCount = 0; +this.lineBuffer = null; this.bsAtomOK = null; this.bsBadIndex = null; this.nSPDF = null; this.haveEnergy = true; +this.ptLineBuf = 0; +this.bufLen = 0; Clazz.instantialize (this, arguments); }, J.adapter.readers.quantum, "MoldenReader", J.adapter.readers.quantum.MopacSlaterReader); Clazz.prepareFields (c$, function () { @@ -130,14 +133,17 @@ atom.elementNumber = this.parseIntStr (tokens[2]); }); Clazz.defineMethod (c$, "readSlaterBasis", function () { +var stoFactor = (this.line.indexOf ("ANGS") >= 0 ? 0.5291772 : 1); +this.scaleSlaters = (this.line.indexOf ("MOPAC") >= 0); this.nCoef = 0; while (this.rd () != null && this.line.indexOf ("[") < 0) { var tokens = this.getTokens (); if (tokens.length < 7) continue; -this.addSlater (this.parseIntStr (tokens[0]), this.parseIntStr (tokens[1]), this.parseIntStr (tokens[2]), this.parseIntStr (tokens[3]), this.parseIntStr (tokens[4]), this.parseFloatStr (tokens[5]), this.parseFloatStr (tokens[6])); +var zeta = this.parseFloatStr (tokens[5]) * stoFactor; +this.addSlater (this.parseIntStr (tokens[0]), this.parseIntStr (tokens[1]), this.parseIntStr (tokens[2]), this.parseIntStr (tokens[3]), this.parseIntStr (tokens[4]), zeta, this.parseFloatStr (tokens[6])); this.nCoef++; } -this.setSlaters (false, false); +this.setSlaters (false); return false; }); Clazz.defineMethod (c$, "readGaussianBasis", @@ -199,7 +205,9 @@ Clazz.defineMethod (c$, "readMolecularOrbitals", function () { while (this.checkOrbitalType (this.rd ())) { } -this.fixOrbitalType (); +if (this.orbitalType === "") { +this.createLineBuffer (); +}this.fixOrbitalType (); var tokens = this.getMoTokens (this.line); while (tokens != null && tokens.length > 0 && tokens[0].indexOf ('[') < 0) { var mo = new java.util.Hashtable (); @@ -224,7 +232,7 @@ var offset = 0; while (tokens != null && tokens.length > 0 && this.parseIntStr (tokens[0]) != -2147483648) { if (tokens.length != 2) throw new Exception ("invalid MO coefficient specification"); var i = this.parseIntStr (tokens[0]); -if (pt == 0 && i == this.nCoef + 1 && this.alphaBeta.equals ("beta")) { +if (pt == 0 && i == this.nCoef + 1 && "beta".equals (this.alphaBeta)) { offset = -this.nCoef; }i += offset; while (i > ++pt) data.addLast ("0"); @@ -258,10 +266,33 @@ JU.Logger.debug (coefs.length + " coefficients in MO " + this.orbitals.size ()); }}this.line = l; } if (this.debugging) JU.Logger.debug ("read " + this.orbitals.size () + " MOs"); -this.setMOs ("eV"); +this.setMOs (""); if (this.haveEnergy && this.doSort) this.sortMOs (); return false; }); +Clazz.defineMethod (c$, "rd", +function () { +if (++this.ptLineBuf < this.bufLen) { +return this.line = this.lineBuffer.get (this.ptLineBuf); +}if (this.bufLen > 0) { +this.lineBuffer = null; +this.bufLen = -1; +return null; +}return Clazz.superCall (this, J.adapter.readers.quantum.MoldenReader, "rd", []); +}); +Clazz.defineMethod (c$, "createLineBuffer", + function () { +if (this.lineBuffer != null) return; +this.lineBuffer = new JU.Lst (); +var l0 = this.line; +while (Clazz.superCall (this, J.adapter.readers.quantum.MoldenReader, "rd", []) != null) { +if (!this.line.contains ("[") || !this.checkOrbitalType (this.line)) { +this.lineBuffer.addLast (this.line); +}} +this.bufLen = this.lineBuffer.size (); +this.ptLineBuf = -1; +this.line = l0; +}); Clazz.defineMethod (c$, "sortMOs", function () { var list = this.orbitals.toArray ( new Array (this.orbitals.size ())); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MopacGraphfReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MopacGraphfReader.js index acd4c979..362e7e63 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MopacGraphfReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MopacGraphfReader.js @@ -40,26 +40,15 @@ atom.elementSymbol = J.adapter.smarter.AtomSetCollectionReader.getElementSymbol Clazz.defineMethod (c$, "readSlaterBasis", function () { this.nCoefficients = 0; +this.getSlaters (); var values = Clazz.newFloatArray (3, 0); for (var iAtom = 0; iAtom < this.ac; iAtom++) { J.adapter.smarter.AtomSetCollectionReader.getTokensFloat (this.rd (), values, 3); var atomicNumber = this.atomicNumbers[iAtom]; -var zeta; -if ((zeta = values[0]) != 0) { -this.createSphericalSlaterByType (iAtom, atomicNumber, "S", zeta, 1); -}if ((zeta = values[1]) != 0) { -this.createSphericalSlaterByType (iAtom, atomicNumber, "Px", zeta, 1); -this.createSphericalSlaterByType (iAtom, atomicNumber, "Py", zeta, 1); -this.createSphericalSlaterByType (iAtom, atomicNumber, "Pz", zeta, 1); -}if ((zeta = values[2]) != 0) { -this.createSphericalSlaterByType (iAtom, atomicNumber, "Dx2-y2", zeta, 1); -this.createSphericalSlaterByType (iAtom, atomicNumber, "Dxz", zeta, 1); -this.createSphericalSlaterByType (iAtom, atomicNumber, "Dz2", zeta, 1); -this.createSphericalSlaterByType (iAtom, atomicNumber, "Dyz", zeta, 1); -this.createSphericalSlaterByType (iAtom, atomicNumber, "Dxy", zeta, 1); -}} +this.createMopacSlaters (iAtom, atomicNumber, values, true); +} this.nCoefficients = this.slaters.size (); -this.setSlaters (true, false); +this.setSlaters (false); }); Clazz.defineMethod (c$, "readMolecularOrbitals", function (isBeta) { diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MopacSlaterReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MopacSlaterReader.js index 744da939..fc92924e 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MopacSlaterReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/MopacSlaterReader.js @@ -1,25 +1,11 @@ Clazz.declarePackage ("J.adapter.readers.quantum"); -Clazz.load (["J.adapter.readers.quantum.SlaterReader"], "J.adapter.readers.quantum.MopacSlaterReader", null, function () { +Clazz.load (["J.adapter.readers.quantum.SlaterReader"], "J.adapter.readers.quantum.MopacSlaterReader", ["java.util.Hashtable"], function () { c$ = Clazz.decorateAsClass (function () { this.atomicNumbers = null; +this.mopacBasis = null; +this.allowMopacDCoef = false; Clazz.instantialize (this, arguments); }, J.adapter.readers.quantum, "MopacSlaterReader", J.adapter.readers.quantum.SlaterReader); -Clazz.defineMethod (c$, "createSphericalSlaterByType", -function (iAtom, atomicNumber, type, zeta, coef) { -var pt = "S Px Py Pz Dx2-y2Dxz Dz2 Dyz Dxy".indexOf (type); -switch (pt) { -case 0: -this.addSlater (iAtom + 1, 0, 0, 0, J.adapter.readers.quantum.MopacSlaterReader.getNPQs (atomicNumber) - 1, zeta, coef); -return; -case 2: -case 5: -case 8: -this.addSlater (iAtom + 1, pt == 2 ? 1 : 0, pt == 5 ? 1 : 0, pt == 8 ? 1 : 0, J.adapter.readers.quantum.MopacSlaterReader.getNPQp (atomicNumber) - 2, zeta, coef); -return; -} -pt = (pt >> 2) * 3 - 9; -this.addSlater (iAtom + 1, J.adapter.readers.quantum.MopacSlaterReader.sphericalDValues[pt++], J.adapter.readers.quantum.MopacSlaterReader.sphericalDValues[pt++], J.adapter.readers.quantum.MopacSlaterReader.sphericalDValues[pt++], J.adapter.readers.quantum.MopacSlaterReader.getNPQd (atomicNumber) - 3, zeta, coef); -}, "~N,~N,~S,~N,~N"); Clazz.defineMethod (c$, "scaleSlater", function (ex, ey, ez, er, zeta) { if (ex >= 0 && ey >= 0) { @@ -29,6 +15,21 @@ if (el == 3) { return 0; }return J.adapter.readers.quantum.SlaterReader.getSlaterConstDSpherical (el + er + 1, Math.abs (zeta), ex, ey); }, "~N,~N,~N,~N,~N"); +Clazz.defineMethod (c$, "setMOData", +function (clearOrbitals) { +if (!this.allowNoOrbitals && this.orbitals.size () == 0) return; +if (this.mopacBasis == null || !this.forceMOPAC && this.gaussians != null && this.shells != null) { +if (this.forceMOPAC) System.out.println ("MopacSlaterReader ignoring MOPAC zeta parameters -- using Gaussian contractions"); +Clazz.superCall (this, J.adapter.readers.quantum.MopacSlaterReader, "setMOData", [clearOrbitals]); +return; +}this.setSlaters (false); +this.moData.put ("calculationType", this.calculationType); +this.moData.put ("energyUnits", this.energyUnits); +this.moData.put ("mos", this.orbitals); +this.finalizeMOData (this.lastMoData = this.moData); +if (clearOrbitals) { +this.clearOrbitals (); +}}, "~B"); c$.getNPQ = Clazz.defineMethod (c$, "getNPQ", function (atomicNumber) { return (atomicNumber < J.adapter.readers.quantum.MopacSlaterReader.principalQuantumNumber.length ? J.adapter.readers.quantum.MopacSlaterReader.principalQuantumNumber[atomicNumber] : 0); @@ -61,9 +62,106 @@ c$.getNPQd = Clazz.defineMethod (c$, "getNPQd", function (atomicNumber) { return (atomicNumber < J.adapter.readers.quantum.MopacSlaterReader.npqd.length ? J.adapter.readers.quantum.MopacSlaterReader.npqd[atomicNumber] : 0); }, "~N"); +Clazz.overrideMethod (c$, "addSlaterBasis", +function () { +if (this.mopacBasis == null || this.slaters != null && this.slaters.size () > 0) return; +var ac = this.asc.ac; +var i0 = this.asc.getLastAtomSetAtomIndex (); +var atoms = this.asc.atoms; +for (var i = i0; i < ac; ++i) { +var an = atoms[i].elementNumber; +this.createMopacSlaters (i, an, this.mopacBasis[an], this.allowMopacDCoef); +} +}); +Clazz.defineMethod (c$, "createMopacSlaters", +function (iAtom, atomicNumber, values, allowD) { +var zeta; +if ((zeta = values[0]) != 0) { +this.createSphericalSlaterByType (iAtom, atomicNumber, "S", zeta, 1); +}if ((zeta = values[1]) != 0) { +this.createSphericalSlaterByType (iAtom, atomicNumber, "Px", zeta, 1); +this.createSphericalSlaterByType (iAtom, atomicNumber, "Py", zeta, 1); +this.createSphericalSlaterByType (iAtom, atomicNumber, "Pz", zeta, 1); +}if ((zeta = values[2]) != 0 && allowD) { +this.createSphericalSlaterByType (iAtom, atomicNumber, "Dx2-y2", zeta, 1); +this.createSphericalSlaterByType (iAtom, atomicNumber, "Dxz", zeta, 1); +this.createSphericalSlaterByType (iAtom, atomicNumber, "Dz2", zeta, 1); +this.createSphericalSlaterByType (iAtom, atomicNumber, "Dyz", zeta, 1); +this.createSphericalSlaterByType (iAtom, atomicNumber, "Dxy", zeta, 1); +}}, "~N,~N,~A,~B"); +Clazz.defineMethod (c$, "createSphericalSlaterByType", +function (iAtom, atomicNumber, type, zeta, coef) { +var pt = "S Px Py Pz Dx2-y2Dxz Dz2 Dyz Dxy".indexOf (type); +switch (pt) { +case 0: +this.addSlater (iAtom + 1, 0, 0, 0, J.adapter.readers.quantum.MopacSlaterReader.getNPQs (atomicNumber) - 1, zeta, coef); +return; +case 2: +case 5: +case 8: +this.addSlater (iAtom + 1, pt == 2 ? 1 : 0, pt == 5 ? 1 : 0, pt == 8 ? 1 : 0, J.adapter.readers.quantum.MopacSlaterReader.getNPQp (atomicNumber) - 2, zeta, coef); +return; +} +pt = (pt >> 2) * 3 - 9; +this.addSlater (iAtom + 1, J.adapter.readers.quantum.MopacSlaterReader.sphericalDValues[pt++], J.adapter.readers.quantum.MopacSlaterReader.sphericalDValues[pt++], J.adapter.readers.quantum.MopacSlaterReader.sphericalDValues[pt++], J.adapter.readers.quantum.MopacSlaterReader.getNPQd (atomicNumber) - 3, zeta, coef); +}, "~N,~N,~S,~N,~N"); +c$.getMopacAtomZetaSPD = Clazz.defineMethod (c$, "getMopacAtomZetaSPD", +function (type) { +if (J.adapter.readers.quantum.MopacSlaterReader.mopacParams == null) J.adapter.readers.quantum.MopacSlaterReader.mopacParams = new java.util.Hashtable (); +var params = J.adapter.readers.quantum.MopacSlaterReader.mopacParams.get (type); +if (params == null) { +J.adapter.readers.quantum.MopacSlaterReader.mopacParams.put (type, params = Clazz.newFloatArray (120, 3, 0)); +var data = null; +switch ("AM1 MNDO PM3 PM6 PM7 RM1".indexOf (type)) { +case 0: +data = J.adapter.readers.quantum.MopacSlaterReader._AM1_C; +break; +case 5: +data = J.adapter.readers.quantum.MopacSlaterReader._MNDO_C; +break; +case 10: +data = J.adapter.readers.quantum.MopacSlaterReader._PM3_C; +break; +case 15: +data = J.adapter.readers.quantum.MopacSlaterReader._PM6_C; +break; +case 20: +data = J.adapter.readers.quantum.MopacSlaterReader._PM7_C; +break; +case 25: +J.adapter.readers.quantum.MopacSlaterReader.addData (params, J.adapter.readers.quantum.MopacSlaterReader._AM1_C); +data = J.adapter.readers.quantum.MopacSlaterReader._RM1_C; +break; +default: +System.err.println ("MopacSlaterReader could not find MOPAC params for " + type); +return null; +} +J.adapter.readers.quantum.MopacSlaterReader.addData (params, data); +}System.out.println ("MopacSlaterReader using MOPAC params for " + type); +return params; +}, "~S"); +c$.addData = Clazz.defineMethod (c$, "addData", + function (params, data) { +for (var i = 0, p = 0, a = 0; i < data.length; i++) { +var d = data[i]; +if (d < 0) { +a = Clazz.floatToInt (-d); +p = 0; +continue; +}params[a][p++] = d; +} +}, "~A,~A"); Clazz.defineStatics (c$, "MIN_COEF", 0.0001, -"sphericalDValues", Clazz.newIntArray (-1, [0, -2, 0, 1, 0, 1, -2, 0, 0, 0, 1, 1, 1, 1, 0]), "principalQuantumNumber", Clazz.newIntArray (-1, [0, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6]), -"npqd", Clazz.newIntArray (-1, [0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 4, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 5, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 6, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7])); +"npqd", Clazz.newIntArray (-1, [0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 4, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 5, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 6, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7]), +"sphericalDValues", Clazz.newIntArray (-1, [0, -2, 0, 1, 0, 1, -2, 0, 0, 0, 1, 1, 1, 1, 0]), +"mopacParams", null, +"MOPAC_TYPES", "AM1 MNDO PM3 PM6 PM7 RM1", +"_AM1_C", Clazz.newFloatArray (-1, [-1, 1.188078, -2, 2.1956103, 6.9012486, -3, 0.7973487, 0.9045583, -4, 0.7425237, 0.8080499, -6, 1.808665, 1.685116, -7, 2.31541, 2.15794, -8, 3.108032, 2.524039, -9, 3.770082, 2.49467, -10, 5.998377, 4.1699304, -11, 0.789009, 1.1399864, -12, 1.0128928, 1.1798191, -13, 1.516593, 1.306347, -14, 1.830697, 1.284953, -15, 1.98128, 1.87515, -16, 2.366515, 1.667263, -17, 3.631376, 2.076799, -18, 0.9714216, 5.9236231, -19, 1.2660244, 0.9555939, -20, 1.1767754, 1.273852, -30, 1.954299, 1.372365, -31, 4.000216, 1.3540466, -32, 1.219631, 1.982794, -33, 2.2576897, 1.724971, -34, 2.684157, 2.0506164, -35, 3.064133, 2.038333, -36, 3.5931632, 2.0944633, -37, 4.0000187, 1.0140619, -38, 1.5236848, 1.5723524, -42, 1.945, 1.477, 2.468, -49, 1.8281576, 1.48475, -50, 1.6182807, 1.5084984, -51, 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[-1, 0.967807, -2, 1.7710761, 6.9018258, -3, 0.65, 0.75, -4, 0.877439, 1.508755, -5, 1.5312597, 1.1434597, -6, 1.565085, 1.842345, -7, 2.028094, 2.313728, -8, 3.796544, 2.389402, -9, 4.708555, 2.491178, -10, 5.9998745, 4.17526, -11, 2.6618938, 0.8837425, -12, 0.698552, 1.483453, -13, 1.702888, 1.073629, -14, 1.635075, 1.313088, -15, 2.017563, 1.504732, -16, 1.891185, 1.658972, -17, 2.24621, 2.15101, -18, 0.9821697, 5.999715, -19, 0.8101687, 0.9578342, -20, 1.2087415, 0.940937, -30, 1.819989, 1.506922, -31, 1.84704, 0.839411, -32, 2.2373526, 1.5924319, -33, 2.636177, 1.703889, -34, 2.828051, 1.732536, -35, 5.348457, 2.12759, -36, 3.5608622, 1.9832062, -37, 4.0000415, 1.013459, -38, 1.2794532, 1.39125, -48, 1.679351, 2.066412, -49, 2.016116, 1.44535, -50, 2.373328, 1.638233, -51, 2.343039, 1.899992, -52, 4.165492, 1.647555, -53, 7.001013, 2.454354, -54, 4.9900791, 2.6929255, -55, 3.5960298, 0.9255168, -56, 1.9258219, 1.4519912, -80, 1.476885, 2.479951, -81, 6.867921, 1.969445, -82, 3.141289, 1.892418, -83, 4.916451, 1.934935, -87, -102, 4, 0.3, -104]), +"_PM6_C", Clazz.newFloatArray (-1, [-1, 1.268641, -2, 3.313204, 3.657133, -3, 0.981041, 2.953445, -4, 1.212539, 1.276487, -5, 1.634174, 1.479195, -6, 2.047558, 1.702841, -7, 2.380406, 1.999246, -8, 5.421751, 2.27096, -9, 6.043849, 2.906722, -10, 6.000148, 3.834528, -11, 0.686327, 0.950068, -12, 1.31083, 1.388897, -13, 2.364264, 1.749102, 1.269384, -14, 1.752741, 1.198413, 2.128593, -15, 2.158033, 1.805343, 1.230358, -16, 2.192844, 1.841078, 3.109401, -17, 2.63705, 2.118146, 1.324033, -18, 6.000272, 5.94917, -19, 6.000478, 1.127503, -20, 1.528258, 2.060094, -21, 1.402469, 1.345196, 1.859012, -22, 5.324777, 1.164068, 1.41828, -23, 1.97433, 1.063106, 1.394806, -24, 3.28346, 1.029394, 1.623119, -25, 2.13168, 1.52588, 2.6078, -26, 1.47915, 6.002246, 1.080747, -27, 1.166613, 3, 1.860218, -28, 1.591828, 2.304739, 2.514761, -29, 1.669096, 3, 2.73499, -30, 1.512875, 1.789482, -31, 2.339067, 1.729592, -32, 2.546073, 1.70913, -33, 2.926171, 1.765191, 1.392142, -34, 2.512366, 2.007576, -35, 4.670684, 2.035626, 1.521031, -36, 1.312248, 4.491371, -37, 5.510145, 1.33517, -38, 2.197303, 1.730137, -39, 0.593368, 1.490422, 1.650893, -40, 1.69259, 1.694916, 1.567392, -41, 2.355562, 1.386907, 1.977324, -42, 1.060429, 1.350412, 1.827152, -43, 1.956245, 6.006299, 1.76736, -44, 1.459195, 5.537201, 2.093164, -45, 1.324919, 4.306111, 2.901406, -46, 1.658503, 1.156718, 2.219861, -47, 1.994004, 0.681817, 6.007328, -48, 1.384108, 1.957413, -49, 2.023087, 2.106618, -50, 2.383941, 2.057908, -51, 2.391178, 1.773006, 2.46559, -52, 2.769862, 1.731319, -53, 4.498653, 1.917072, 1.875175, -54, 2.759787, 1.977446, -55, 5.956008, 1.619485, -56, 1.395379, 1.430139, -57, 2.67378, 1.248192, 1.688562, -71, 5.471741, 1.712296, 2.225892, -72, 3.085344, 1.575819, 1.84084, -73, 4.578087, 4.841244, 1.838249, -74, 2.66456, 1.62401, 1.7944, -75, 2.411839, 1.815351, 2.522766, -76, 3.031, 1.59396, 1.77557, -77, 1.500907, 4.106373, 2.676047, -78, 2.301264, 1.662404, 3.168852, -79, 1.814169, 1.618657, 5.053167, -80, 2.104896, 1.516293, -81, 3.335883, 1.766141, -82, 2.368901, 1.685246, -83, 3.702377, 1.872327, -85, -87, -90, 1.435306, 1.435306, -97, -98, 2, -100, -101, -102, 4, -103, -104, -105]), +"_PM7_C", Clazz.newFloatArray (-1, [-1, 1.260237, -2, 3.313204, 3.657133, -3, 0.804974, 6.02753, -4, 1.036199, 1.764629, -5, 1.560481, 1.449712, -6, 1.942244, 1.708723, -7, 2.354344, 2.028288, -8, 5.972309, 2.349017, -9, 6.07003, 2.930631, -10, 6.000148, 3.834528, -11, 1.666701, 1.397571, -12, 1.170297, 1.840439, -13, 1.232599, 1.219336, 1.617502, -14, 1.433994, 1.671776, 1.221915, -15, 2.257933, 1.555172, 1.235995, -16, 2.046153, 1.807678, 3.510309, -17, 2.223076, 2.264466, 0.949994, -18, 6.000272, 5.94917, -19, 5.422018, 1.471023, -20, 1.477988, 2.220194, -21, 1.794897, 2.174934, 5.99286, -22, 1.448579, 1.940695, 1.093648, -23, 6.051795, 2.249871, 1.087345, -24, 2.838413, 1.37956, 1.188729, -25, 1.66644, 2.078735, 2.89707, -26, 1.157576, 2.737621, 1.860792, -27, 1.789441, 1.531664, 1.951497, -28, 1.70834, 2.000099, 5.698724, -29, 1.735325, 3.219976, 6.013523, -30, 1.56014, 1.915631, -31, 1.913326, 1.811217, -32, 2.762845, 1.531131, -33, 3.21385, 1.628384, 3.314358, -34, 2.75113, 1.901764, -35, 3.72548, 2.242318, 1.591034, -36, 1.312248, 4.491371, -37, 1.314831, 6.015581, -38, 2.092264, 3.314082, -39, 1.605083, 2.131069, 6.021645, -40, 1.373517, 1.141705, 1.618769, -41, 2.761686, 5.999062, 1.611677, -42, 1.595399, 1.426575, 1.787748, -43, 2.104672, 2.669984, 3.030496, -44, 1.605646, 4.58082, 1.244578, -45, 1.591465, 4.546046, 2.685918, -46, 5.790768, 2.169788, 1.327661, -47, 1.793032, 2.528721, 3.524808, -48, 3.670047, 1.857036, -49, 1.902085, 1.940127, -50, 1.959238, 1.976146, -51, 1.9986, 1.887062, 1.475516, -52, 3.024819, 2.598283, -53, 3.316202, 2.449124, 1.716121, -54, 3.208788, 2.727979, -55, 1.776064, 6.02531, -56, 1.75049, 1.968788, -57, 3.398968, 1.811983, 1.894574, -71, 2.327039, 6.000335, 1.208414, -72, 2.854938, 3.079458, 2.067146, -73, 4.116264, 3.380936, 1.755408, -74, 3.881177, 2.044717, 1.928901, -75, 2.452162, 1.583194, 2.414839, -76, 3.094808, 2.845232, 1.986395, -77, 1.924564, 3.510744, 2.437796, -78, 2.922551, 0.725689, 2.158085, -79, 1.904923, 2.408005, 4.377691, -80, 2.575831, 1.955505, -81, 1.903342, 2.838647, 5.015677, -82, 4.706006, 2.591455, -83, 5.465413, 2.037481, 2.8554, -85, -87, -90, 1.435306, 1.435306, -97, -98, 2, -100, -101, -102, 4, -103, -104, -105]), +"_RM1_C", Clazz.newFloatArray (-1, [-1, 1.0826737, -6, 1.850188, 1.7683009, -7, 2.3744716, 1.9781257, -8, 3.1793691, 2.5536191, -9, 4.4033791, 2.6484156, -15, 2.1224012, 1.7432795, -16, 2.1334431, 1.8746065, -17, 3.8649107, 1.8959314, -35, 5.7315721, 2.0314758, -53, 2.5300375, 2.3173868, -57, 1.272677, 1.423276, 1.410369, -58, 1.281028, 1.425366, 1.412866, -59, 1.538039, 1.581647, 1.374904, -60, 1.45829, 1.570516, 1.513561, -61, 1.065536, 1.846925, 1.424049, -62, 1.293914, 1.738656, 1.521378, -63, 1.350342, 1.733714, 1.494122, -64, 1.272776, 1.908122, 1.515905, -65, 1.210052, 1.921514, 1.528123, -66, 1.295275, 1.912107, 1.413397, -67, 1.33055, 1.779559, 1.536524, -68, 1.347757, 1.806481, 1.466189, -69, 1.369147, 1.674365, 1.714394, -70, 1.239808, 1.849144, 1.485378, -71, 1.425302, 1.790353, 1.642603, -102, 4, 0.3])); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/NBOParser.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/NBOParser.js index f9c4cde1..84d5eb79 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/NBOParser.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/NBOParser.js @@ -44,20 +44,30 @@ htData.put ("spin", type); htData.put ("index", Integer.$valueOf (0)); for (var n = tokens.length, i = 0; i < n; i++) { var org = tokens[i]; -if (org.contains ("(ry)")) break; -if (org.contains ("*") || org.contains ("(cr)")) continue; -var isLP = org.endsWith ("(lp)"); +if (org.contains ("(ry)") || org.contains ("Ryd") || org.contains ("RY")) break; +if (org.contains ("*") || org.contains ("(cr)") || org.startsWith ("CR(") || org.contains ("Cor(")) continue; +if (org.startsWith ("LP(")) { +var ia = J.adapter.readers.quantum.NBOParser.getAtomIndex (org.substring (org.indexOf (")") + 1)); +matrix[ia][ia] += 1; +continue; +}var isLP = org.endsWith ("(lp)"); if (isLP || org.endsWith ("(lv)")) { var ia = J.adapter.readers.quantum.NBOParser.getAtomIndex (org.substring (0, org.length - 4)); matrix[ia][ia] += (isLP ? 1 : 10); continue; }var names = JU.PT.split (org, "-"); -if (names.length == 3) { +switch (names.length) { +case 3: System.out.println ("NBOParser 3-center bonnd " + org + " ignored for Kekule structure"); continue; +case 2: +if (names[0].startsWith ("BD(")) { +names[0] = names[0].substring (names[0].indexOf (")") + 1); }var ia = J.adapter.readers.quantum.NBOParser.getAtomIndex (names[0]); var ib = J.adapter.readers.quantum.NBOParser.getAtomIndex (names[1]); matrix[ia][ib]++; +break; +} } J.adapter.readers.quantum.NBOParser.dumpMatrix (type, 0, matrix); }, "~A,~S,JU.Lst,~N"); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/NWChemReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/NWChemReader.js index dff155cc..3e21f556 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/NWChemReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/NWChemReader.js @@ -389,7 +389,12 @@ function () { this.RL (); if (!this.purging && this.line != null && this.line.startsWith ("--")) { this.purging = true; -this.discardLinesUntilStartsWith ("*"); +if (this.rd ().indexOf ("EAF") == 0) { +this.rd (); +this.discardLinesUntilStartsWith ("--"); +this.purging = false; +return this.rd (); +};this.discardLinesUntilStartsWith ("*"); this.rd (); this.purging = false; this.RL (); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/QCJSONReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/QCJSONReader.js index eec5bdbd..25c221be 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/QCJSONReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/QCJSONReader.js @@ -194,7 +194,8 @@ for (var i = 0; i < this.nCoef; i++) { var a = org.qcschema.QCSchemaUnits.getDoubleArray (listS.get (i), null); this.addSlater (Clazz.doubleToInt (a[0]), Clazz.doubleToInt (a[1]), Clazz.doubleToInt (a[2]), Clazz.doubleToInt (a[3]), Clazz.doubleToInt (a[4]), a[5], a[6]); } -this.setSlaters (false, false); +this.scaleSlaters = false; +this.setSlaters (false); return true; }, "java.util.ArrayList"); Clazz.defineMethod (c$, "readGaussianBasis", diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/SlaterReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/SlaterReader.js index 73e4eb55..e8f75160 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/SlaterReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/SlaterReader.js @@ -1,8 +1,7 @@ Clazz.declarePackage ("J.adapter.readers.quantum"); -Clazz.load (["J.adapter.readers.quantum.BasisFunctionReader", "JU.Lst"], "J.adapter.readers.quantum.SlaterReader", ["java.util.Arrays", "J.quantum.SlaterData", "JU.Logger"], function () { +Clazz.load (["J.adapter.readers.quantum.MOReader"], "J.adapter.readers.quantum.SlaterReader", ["java.util.Arrays", "JU.Lst", "J.quantum.SlaterData", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { -this.slaters = null; -this.slaterArray = null; +this.scaleSlaters = true; if (!Clazz.isClassDefined ("J.adapter.readers.quantum.SlaterReader.SlaterSorter")) { J.adapter.readers.quantum.SlaterReader.$SlaterReader$SlaterSorter$ (); } @@ -10,27 +9,29 @@ if (!Clazz.isClassDefined ("J.adapter.readers.quantum.SlaterReader.OrbitalSorter J.adapter.readers.quantum.SlaterReader.$SlaterReader$OrbitalSorter$ (); } Clazz.instantialize (this, arguments); -}, J.adapter.readers.quantum, "SlaterReader", J.adapter.readers.quantum.BasisFunctionReader); -Clazz.prepareFields (c$, function () { -this.slaters = new JU.Lst (); -}); +}, J.adapter.readers.quantum, "SlaterReader", J.adapter.readers.quantum.MOReader); Clazz.defineMethod (c$, "addSlater", function (iAtom, a, b, c, d, zeta, coef) { -this.slaters.addLast ( new J.quantum.SlaterData (iAtom, a, b, c, d, zeta, coef)); +this.getSlaters ().addLast ( new J.quantum.SlaterData (iAtom, a, b, c, d, zeta, coef)); }, "~N,~N,~N,~N,~N,~N,~N"); +Clazz.defineMethod (c$, "getSlaters", +function () { +return (this.slaters == null ? this.slaters = new JU.Lst () : this.slaters); +}); Clazz.defineMethod (c$, "addSlater", function (sd, n) { sd.index = n; -this.slaters.addLast (sd); +this.getSlaters ().addLast (sd); }, "J.quantum.SlaterData,~N"); Clazz.defineMethod (c$, "setSlaters", -function (doScale, doSort) { +function (doSort) { +if (this.slaters == null || this.slaters.size () == 0) return; if (this.slaterArray == null) { var nSlaters = this.slaters.size (); this.slaterArray = new Array (nSlaters); for (var i = 0; i < this.slaterArray.length; i++) this.slaterArray[i] = this.slaters.get (i); -}if (doScale) for (var i = 0; i < this.slaterArray.length; i++) { +}if (this.scaleSlaters) for (var i = 0; i < this.slaterArray.length; i++) { var sd = this.slaterArray[i]; sd.coef *= this.scaleSlater (sd.x, sd.y, sd.z, sd.r, sd.zeta); if (this.debugging) { @@ -44,7 +45,7 @@ for (var i = 0; i < this.slaterArray.length; i++) pointers[i] = this.slaterArray this.sortOrbitalCoefficients (pointers); }this.moData.put ("slaters", this.slaterArray); this.asc.setCurrentModelInfo ("moData", this.moData); -}, "~B,~B"); +}, "~B"); Clazz.defineMethod (c$, "setMOs", function (units) { this.moData.put ("mos", this.orbitals); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/WebMOReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/WebMOReader.js index 94d4bcbb..f52d8c4e 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/WebMOReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/quantum/WebMOReader.js @@ -81,16 +81,16 @@ case 4: isOK = true; break; case 5: -isOK = (tokens[0].equals ("DOrbitals") && this.getDFMap ("DS", data, 3, J.adapter.readers.quantum.WebMOReader.DS_LIST, 99)); +isOK = (tokens[0].equals ("DOrbitals") && this.getDFMap ("DS", data, 3, J.adapter.readers.quantum.WebMOReader.$DS_LIST, 99)); break; case 6: -isOK = (tokens[0].equals ("DOrbitals") && this.getDFMap ("DC", data, 4, J.adapter.readers.quantum.WebMOReader.DC_LIST, 2)); +isOK = (tokens[0].equals ("DOrbitals") && this.getDFMap ("DC", data, 4, J.adapter.readers.quantum.WebMOReader.$DC_LIST, 2)); break; case 7: -isOK = (tokens[0].equals ("FOrbitals") && this.getDFMap ("FS", data, 5, J.adapter.readers.quantum.WebMOReader.FS_LIST, 99)); +isOK = (tokens[0].equals ("FOrbitals") && this.getDFMap ("FS", data, 5, J.adapter.readers.quantum.WebMOReader.$FS_LIST, 99)); break; case 10: -isOK = (tokens[0].equals ("FOrbitals") && this.getDFMap ("FC", data, 6, J.adapter.readers.quantum.WebMOReader.FC_LIST, 3)); +isOK = (tokens[0].equals ("FOrbitals") && this.getDFMap ("FC", data, 6, J.adapter.readers.quantum.WebMOReader.$FC_LIST, 3)); break; } if (!isOK) { @@ -150,7 +150,8 @@ var tokens = this.getTokens (); if (tokens.length < 7) continue; this.addSlater (this.parseIntStr (tokens[0]), this.parseIntStr (tokens[1]), this.parseIntStr (tokens[2]), this.parseIntStr (tokens[3]), this.parseIntStr (tokens[4]), this.parseFloatStr (tokens[5]), this.parseFloatStr (tokens[6])); } -this.setSlaters (false, false); +this.scaleSlaters = false; +this.setSlaters (false); }); Clazz.defineMethod (c$, "readMolecularOrbital", function () { @@ -181,8 +182,8 @@ this.nOrbitals++; if (occupancy > 0) this.moData.put ("HOMO", Integer.$valueOf (this.nOrbitals)); }); Clazz.defineStatics (c$, -"DS_LIST", "NOT IMPLEMENTED IN THIS READER", -"DC_LIST", "xx yy zz xy xz yz", -"FS_LIST", "NOT IMPLEMENTED IN THIS READER", -"FC_LIST", "xxx yyy zzz yyx xxy xxz zzx zzy yyz xyz"); +"$DS_LIST", "NOT IMPLEMENTED IN THIS READER", +"$DC_LIST", "xx yy zz xy xz yz", +"$FS_LIST", "NOT IMPLEMENTED IN THIS READER", +"$FC_LIST", "xxx yyy zzz yyx xxy xxz zzx zzy yyz xyz"); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/simple/FAHReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/simple/FAHReader.js index bcd7effb..e8c8ebd2 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/simple/FAHReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/simple/FAHReader.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("J.adapter.readers.simple"); -Clazz.load (["J.adapter.smarter.AtomSetCollectionReader"], "J.adapter.readers.simple.FAHReader", ["JU.PT", "$.Rdr", "J.adapter.smarter.Atom", "$.Bond", "JU.Logger"], function () { +Clazz.load (["J.adapter.smarter.AtomSetCollectionReader"], "J.adapter.readers.simple.FAHReader", ["JU.PT", "$.Rdr", "J.adapter.smarter.Atom", "$.Bond", "JU.Logger", "JV.FileManager"], function () { c$ = Clazz.decorateAsClass (function () { this.factor = 1; this.pt = null; @@ -115,10 +115,8 @@ return false; }); Clazz.defineMethod (c$, "getTopData", function () { -var fileName = this.htParams.get ("fullPathName"); -var pt = fileName.indexOf ("::"); -if (pt > 0) fileName = fileName.substring (pt + 2); -pt = fileName.lastIndexOf ("."); +var fileName = JV.FileManager.stripTypePrefix (this.htParams.get ("fullPathName")); +var pt = fileName.lastIndexOf ("."); if (pt < 0) pt = fileName.length; var ptv = fileName.lastIndexOf ("Frame", pt); fileName = fileName.substring (0, ptv) + "Top" + fileName.substring (pt); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/simple/JmeReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/simple/JmeReader.js index 8b033bc2..4e1b3601 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/simple/JmeReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/simple/JmeReader.js @@ -31,6 +31,7 @@ elementSymbol = JU.PT.trim (elementSymbol, "-"); atom.formalCharge = -1; }atom.elementSymbol = elementSymbol; } +this.asc.setModelInfoForSet ("dimension", "2D", this.asc.iSet); }, "~N"); Clazz.defineMethod (c$, "readBonds", function (bondCount) { diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/OdysseyReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/OdysseyReader.js index 1e6bfc04..71095dd7 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/OdysseyReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/OdysseyReader.js @@ -5,6 +5,9 @@ Clazz.overrideMethod (c$, "initializeReader", function () { var title = this.readInputRecords (); this.asc.setAtomSetName (title == null ? "Odyssey file" : title); +while (this.line != null && this.line.indexOf ("END ") < 0 && this.line.indexOf ("MOLSTATE") < 0) this.rd (); + +if (this.line != null && this.line.indexOf ("MOLSTATE") >= 0) this.readTransform (); this.continuing = false; }); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanInputReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanInputReader.js index dc0036a4..fa029642 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanInputReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanInputReader.js @@ -22,10 +22,7 @@ if (this.modelAtomCount > 1) { this.discardLinesUntilContains ("HESSIAN"); if (this.line != null) this.readBonds (ac0); if (this.line != null && this.line.indexOf ("BEGINCONSTRAINTS") >= 0) this.readConstraints (); -}while (this.line != null && this.line.indexOf ("END ") < 0 && this.line.indexOf ("MOLSTATE") < 0) this.rd (); - -if (this.line != null && this.line.indexOf ("MOLSTATE") >= 0) this.readTransform (); -return modelName; +}return modelName; }); Clazz.defineMethod (c$, "readConstraints", function () { @@ -39,7 +36,7 @@ this.asc.setAtomSetModelProperty (".PATH", "EnergyProfile"); this.asc.setAtomSetModelProperty ("Constraint", this.constraints); }); Clazz.defineMethod (c$, "readTransform", - function () { +function () { this.rd (); var tokens = JU.PT.getTokens (this.rd () + " " + this.rd ()); this.setTransform (this.parseFloatStr (tokens[0]), this.parseFloatStr (tokens[1]), this.parseFloatStr (tokens[2]), this.parseFloatStr (tokens[4]), this.parseFloatStr (tokens[5]), this.parseFloatStr (tokens[6]), this.parseFloatStr (tokens[8]), this.parseFloatStr (tokens[9]), this.parseFloatStr (tokens[10])); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanSmolReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanSmolReader.js index 2c552c5e..980d8651 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanSmolReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanSmolReader.js @@ -91,6 +91,9 @@ return false; } else if (lcline.endsWith ("proparc") || lcline.endsWith ("propertyarchive")) { this.readProperties (); return false; +} else if (lcline.endsWith ("molstate")) { +this.readTransform (); +return false; } else if (lcline.endsWith ("archive")) { this.asc.setAtomSetName (this.readArchive ()); return false; @@ -132,7 +135,7 @@ Clazz.defineMethod (c$, "readOutput", this.titles = new java.util.Hashtable (); var header = new JU.SB (); var pt; -while (this.rd () != null && !this.line.startsWith ("END ")) { +while (this.rd () != null && !this.line.startsWith ("END ") && !this.line.startsWith ("ENDOUTPUT")) { header.append (this.line).append ("\n"); if ((pt = this.line.indexOf (")")) > 0) this.titles.put ("Title" + this.parseIntRange (this.line, 0, pt), (this.line.substring (pt + 1).trim ())); } diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanUtil.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanUtil.js index 72172bbf..fc52265c 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanUtil.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/spartan/SpartanUtil.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("J.adapter.readers.spartan"); -Clazz.load (null, "J.adapter.readers.spartan.SpartanUtil", ["java.io.BufferedInputStream", "java.util.Hashtable", "$.StringTokenizer", "JU.Lst", "$.PT", "$.Rdr", "$.SB", "J.api.Interface", "JU.Escape", "$.Logger"], function () { +Clazz.load (null, "J.adapter.readers.spartan.SpartanUtil", ["java.io.BufferedInputStream", "java.util.Hashtable", "$.StringTokenizer", "javajs.api.GenericZipInputStream", "JU.Lst", "$.PT", "$.Rdr", "$.SB", "J.api.Interface", "JU.Escape", "$.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.fm = null; Clazz.instantialize (this, arguments); @@ -56,7 +56,7 @@ function (is, zipDirectory) { var data = new JU.SB (); data.append ("Zip File Directory: ").append ("\n").append (JU.Escape.eAS (zipDirectory, true)).append ("\n"); var fileData = new java.util.Hashtable (); -this.fm.vwr.getJzt ().getAllZipData (is, Clazz.newArray (-1, []), "", "Molecule", "__MACOSX", fileData); +this.getAllZipData (is, Clazz.newArray (-1, []), "", "Molecule", "__MACOSX", fileData); var prefix = "|"; var outputData = fileData.get (prefix + "output"); if (outputData == null) outputData = fileData.get ((prefix = "|" + zipDirectory[1]) + "output"); @@ -164,7 +164,7 @@ var doc = J.api.Interface.getInterface ("JU.CompoundDocument", this.fm.vwr, "fil doc.setDocStream (this.fm.vwr.getJzt (), bis); doc.getAllDataMapped (name, "Molecule", fileData); } else if (JU.Rdr.isZipS (bis)) { -this.fm.vwr.getJzt ().getAllZipData (bis, subFileList, name, "Molecule", "__MACOSX", fileData); +this.getAllZipData (bis, subFileList, name, "Molecule", "__MACOSX", fileData); } else if (asBinaryString) { var bd = J.api.Interface.getInterface ("JU.BinaryDocument", this.fm.vwr, "file"); bd.setStream (bis, false); @@ -212,4 +212,44 @@ throw e; if (!fileData.containsKey (path)) fileData.put (path, "FILE NOT FOUND: " + path + "\n"); return path; }, "~S,~S,java.util.Map"); +Clazz.defineMethod (c$, "getAllZipData", + function (is, subfileList, name0, binaryFileList, exclude, fileData) { +var zis = new javajs.api.GenericZipInputStream (Clazz.instanceOf (is, java.io.BufferedInputStream) ? is : new java.io.BufferedInputStream (is)); +var ze; +var listing = new JU.SB (); +binaryFileList = "|" + binaryFileList + "|"; +var prefix = JU.PT.join (subfileList, '/', 1); +var prefixd = null; +if (prefix != null) { +prefixd = prefix.substring (0, prefix.indexOf ("/") + 1); +if (prefixd.length == 0) prefixd = null; +}try { +while ((ze = zis.getNextEntry ()) != null) { +var name = ze.getName (); +if (prefix != null && prefixd != null && !(name.equals (prefix) || name.startsWith (prefixd)) || exclude != null && name.contains (exclude)) continue; +listing.append (name).appendC ('\n'); +var sname = "|" + name.substring (name.lastIndexOf ("/") + 1) + "|"; +var asBinaryString = (binaryFileList.indexOf (sname) >= 0); +var bytes = JU.Rdr.getLimitedStreamBytes (zis, ze.getSize ()); +var str; +if (asBinaryString) { +var ret = new JU.SB (); +for (var i = 0; i < bytes.length; i++) ret.append (Integer.toHexString (bytes[i] & 0xFF)).appendC (' '); + +str = ret.toString (); +name += ":asBinaryString"; +} else { +str = JU.Rdr.fixUTF (bytes); +}str = "BEGIN Directory Entry " + name + "\n" + str + "\nEND Directory Entry " + name + "\n"; +var key = name0 + "|" + name; +fileData.put (key, str); +} +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +} else { +throw e; +} +} +fileData.put ("#Directory_Listing", listing.toString ()); +}, "java.io.InputStream,~A,~S,~S,~S,java.util.Map"); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/xtal/PWmatReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/xtal/PWmatReader.js new file mode 100644 index 00000000..60f898ff --- /dev/null +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/xtal/PWmatReader.js @@ -0,0 +1,43 @@ +Clazz.declarePackage ("J.adapter.readers.xtal"); +Clazz.load (["J.adapter.smarter.AtomSetCollectionReader"], "J.adapter.readers.xtal.PWmatReader", ["JU.PT"], function () { +c$ = Clazz.decorateAsClass (function () { +this.nAtoms = 0; +Clazz.instantialize (this, arguments); +}, J.adapter.readers.xtal, "PWmatReader", J.adapter.smarter.AtomSetCollectionReader); +Clazz.overrideMethod (c$, "initializeReader", +function () { +this.doApplySymmetry = true; +}); +Clazz.overrideMethod (c$, "checkLine", +function () { +if (this.nAtoms == 0) { +this.setSpaceGroupName ("P1"); +this.nAtoms = JU.PT.parseInt (this.line); +this.setFractionalCoordinates (true); +return true; +}var lc = this.line.toLowerCase (); +if (lc.startsWith ("lattice")) { +this.readUnitCell (); +} else if (lc.startsWith ("position")) { +this.readCoordinates (); +} else { +this.continuing = false; +}return true; +}); +Clazz.defineMethod (c$, "readUnitCell", + function () { +var unitCellData = Clazz.newFloatArray (9, 0); +this.fillFloatArray (null, 0, unitCellData); +this.addExplicitLatticeVector (0, unitCellData, 0); +this.addExplicitLatticeVector (1, unitCellData, 3); +this.addExplicitLatticeVector (2, unitCellData, 6); +}); +Clazz.defineMethod (c$, "readCoordinates", + function () { +var i = 0; +while (this.rd () != null && i++ < this.nAtoms) { +var tokens = this.getTokens (); +this.addAtomXYZSymName (tokens, 1, null, J.adapter.smarter.AtomSetCollectionReader.getElementSymbol (Integer.parseInt (tokens[0]))); +} +}); +}); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/xtal/VaspOutcarReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/xtal/VaspOutcarReader.js index de1935a7..7a37939b 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/xtal/VaspOutcarReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/readers/xtal/VaspOutcarReader.js @@ -2,10 +2,11 @@ Clazz.declarePackage ("J.adapter.readers.xtal"); Clazz.load (["J.adapter.smarter.AtomSetCollectionReader", "JU.Lst"], "J.adapter.readers.xtal.VaspOutcarReader", ["java.lang.Double", "JU.DF", "$.PT"], function () { c$ = Clazz.decorateAsClass (function () { this.atomNames = null; +this.haveIonNames = false; this.ac = 0; this.inputOnly = false; this.mDsimulation = false; -this.isVersion5 = false; +this.vaspVersion = 0; this.elementNames = null; this.gibbsEnergy = null; this.gibbsEntropy = null; @@ -27,9 +28,10 @@ this.inputOnly = this.checkFilterKey ("INPUT"); }); Clazz.overrideMethod (c$, "checkLine", function () { -if (this.line.contains (" vasp.5")) { -this.isVersion5 = true; -} else if (this.line.toUpperCase ().contains ("TITEL")) { +if (this.vaspVersion == 0 && this.line.contains (" vasp.")) { +this.readVersion (); +if (this.vaspVersion > 0) this.appendLoadNote ("VASP version " + this.vaspVersion + " " + this.line); +} else if (this.line.toUpperCase ().startsWith (" POTCAR:")) { this.readElementNames (); } else if (this.line.contains ("ions per type")) { this.readAtomCountAndSetNames (); @@ -37,7 +39,7 @@ this.readAtomCountAndSetNames (); this.mDsimulation = true; } else if (this.line.contains ("direct lattice vectors")) { this.readUnitCellVectors (); -} else if (this.line.contains ("position of ions in fractional coordinates")) { +} else if (this.ac > 0 && this.line.contains ("position of ions in fractional coordinates")) { this.readInitialCoordinates (); if (this.inputOnly) this.continuing = false; } else if (this.line.contains ("POSITION")) { @@ -51,13 +53,22 @@ this.readMdyn (); this.readFrequency (); }return true; }); +Clazz.defineMethod (c$, "readVersion", + function () { +var tokens = JU.PT.split (this.line, "."); +this.vaspVersion = JU.PT.parseInt (tokens[1]); +}); Clazz.overrideMethod (c$, "finalizeSubclassReader", function () { this.setSymmetry (); }); Clazz.defineMethod (c$, "readElementNames", function () { -this.elementNames.addLast (this.getTokens ()[3]); +this.line = JU.PT.rep (this.line, " _ ", "_"); +var tokens = this.getTokens (); +var pt = tokens[1].indexOf (":"); +var name = (pt >= 0 ? tokens[1].substring (0, pt) : tokens[2]); +this.elementNames.addLast (name); }); Clazz.defineMethod (c$, "readAtomCountAndSetNames", function () { @@ -68,7 +79,7 @@ for (var i = 0; i < tokens.length; i++) this.ac += (numofElement[i] = this.parse this.atomNames = new Array (this.ac); var nElements = this.elementNames.size (); -for (var pt = 0, i = 0; i < nElements; i++) for (var j = 0; j < numofElement[i]; j++) this.atomNames[pt++] = this.elementNames.get (i); +for (var pt = 0, i = 0; i < nElements; i++) for (var j = 0; j < numofElement[i] && pt < this.ac; j++) this.atomNames[pt++] = this.elementNames.get (i); }); @@ -157,7 +168,7 @@ Clazz.defineMethod (c$, "readFrequency", function () { var pt = this.asc.iSet; this.asc.baseSymmetryAtomCount = this.ac; -if (this.isVersion5) { +if (this.vaspVersion >= 5) { this.readLines (3); } else { this.discardLinesUntilContains ("Eigenvectors after division by SQRT(mass)"); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Atom.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Atom.js index 8bc795ef..ba19bba8 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Atom.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Atom.js @@ -17,6 +17,7 @@ this.radius = NaN; this.isHetero = false; this.atomSerial = -2147483648; this.chainID = 0; +this.bondRadius = NaN; this.altLoc = '\0'; this.group3 = null; this.sequenceNumber = -2147483648; @@ -24,6 +25,7 @@ this.insertionCode = '\0'; this.anisoBorU = null; this.tensors = null; this.ignoreSymmetry = false; +this.typeSymbol = null; Clazz.instantialize (this, arguments); }, J.adapter.smarter, "Atom", JU.P3, Cloneable); Clazz.defineMethod (c$, "addTensor", @@ -41,7 +43,16 @@ this.set (NaN, NaN, NaN); }); Clazz.defineMethod (c$, "getClone", function () { -var a = this.clone (); +var a; +try { +a = this.clone (); +} catch (e) { +if (Clazz.exceptionOf (e, CloneNotSupportedException)) { +return null; +} else { +throw e; +} +} if (this.vib != null) { if (Clazz.instanceOf (this.vib, JU.Vibration)) { a.vib = (this.vib).clone (); @@ -92,6 +103,12 @@ c$.isValidSymChar1 = Clazz.defineMethod (c$, "isValidSymChar1", function (ch) { return (ch >= 'A' && ch <= 'Z' && J.adapter.smarter.Atom.elementCharMasks[ch.charCodeAt (0) - 65] != 0); }, "~S"); +Clazz.defineMethod (c$, "copyTo", +function (pt, asc) { +var a = asc.newCloneAtom (this); +a.setT (pt); +return a; +}, "JU.P3,J.adapter.smarter.AtomSetCollection"); Clazz.defineStatics (c$, "elementCharMasks", Clazz.newIntArray (-1, [1972292, -2147351151, -2146019271, -2130706430, 1441792, -2147348464, 25, -2147205008, -2147344384, 0, -2147352576, 1179905, 548936, -2147434213, -2147221504, -2145759221, 0, 1056947, -2147339946, -2147477097, -2147483648, -2147483648, -2147483648, 8388624, -2147483646, 139264])); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomIterator.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomIterator.js index 96582d75..e1dcae65 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomIterator.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomIterator.js @@ -63,6 +63,10 @@ Clazz.overrideMethod (c$, "getRadius", function () { return this.atom.radius; }); +Clazz.overrideMethod (c$, "getBondRadius", +function () { +return this.atom.bondRadius; +}); Clazz.overrideMethod (c$, "getVib", function () { return (this.atom.vib == null || Float.isNaN (this.atom.vib.z) ? null : this.atom.vib); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomSetCollection.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomSetCollection.js index a7787e45..a85ba0d4 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomSetCollection.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomSetCollection.js @@ -29,6 +29,7 @@ this.trajectoryNames = null; this.doFixPeriodic = false; this.allowMultiple = false; this.readerList = null; +this.atomMapAnyCase = false; this.bsStructuredModels = null; this.haveAnisou = false; this.baseSymmetryAtomCount = 0; @@ -78,6 +79,8 @@ var p = new java.util.Properties (); p.put ("PATH_KEY", ".PATH"); p.put ("PATH_SEPARATOR", J.adapter.smarter.SmarterJmolAdapter.PATH_SEPARATOR); this.setInfo ("properties", p); +var modelIndex = (reader == null ? null : reader.htParams.get ("appendToModelIndex")); +if (modelIndex != null) this.setInfo ("appendToModelIndex", modelIndex); if (array != null) { var n = 0; this.readerList = new JU.Lst (); @@ -105,7 +108,7 @@ function () { if (!this.isTrajectory) this.trajectorySteps = new JU.Lst (); this.isTrajectory = true; var n = (this.bsAtoms == null ? this.ac : this.bsAtoms.cardinality ()); -if (n == 0) return; +if (n <= 1) return; var trajectoryStep = new Array (n); var haveVibrations = (n > 0 && this.atoms[0].vib != null && !Float.isNaN (this.atoms[0].vib.z)); var vibrationStep = (haveVibrations ? new Array (n) : null); @@ -146,16 +149,8 @@ if (atomInfo != null) atomInfo[0] += existingAtomsCount; this.setCurrentModelInfo ("title", collection.collectionName); this.setAtomSetName (collection.getAtomSetName (atomSetNum)); for (var atomNum = 0; atomNum < collection.atomSetAtomCounts[atomSetNum]; atomNum++) { -try { if (this.bsAtoms != null) this.bsAtoms.set (this.ac); this.newCloneAtom (collection.atoms[clonedAtoms]); -} catch (e) { -if (Clazz.exceptionOf (e, Exception)) { -this.errorMessage = "appendAtomCollection error: " + e; -} else { -throw e; -} -} clonedAtoms++; } this.atomSetNumbers[this.iSet] = (collectionIndex < 0 ? this.iSet + 1 : ((collectionIndex + 1) * 1000000) + collection.atomSetNumbers[atomSetNum]); @@ -311,6 +306,7 @@ for (var i = this.ac; --i >= 0; ) this.atoms[i] = null; this.ac = 0; this.atomSymbolicMap.clear (); +this.atomMapAnyCase = false; this.atomSetCount = 0; this.iSet = -1; for (var i = this.atomSetAuxiliaryInfo.length; --i >= 0; ) { @@ -415,14 +411,31 @@ Clazz.defineMethod (c$, "getAtomFromName", function (atomName) { return this.atomSymbolicMap.get (atomName); }, "~S"); +Clazz.defineMethod (c$, "setAtomMapAnyCase", +function () { +this.atomMapAnyCase = true; +var newMap = new java.util.Hashtable (); +newMap.putAll (this.atomSymbolicMap); +for (var e, $e = this.atomSymbolicMap.entrySet ().iterator (); $e.hasNext () && ((e = $e.next ()) || true);) { +var name = e.getKey (); +var uc = name.toUpperCase (); +if (!uc.equals (name)) newMap.put (uc, e.getValue ()); +} +this.atomSymbolicMap = newMap; +}); Clazz.defineMethod (c$, "getAtomIndex", function (name) { var a = this.atomSymbolicMap.get (name); +if (a == null && this.atomMapAnyCase) a = this.atomSymbolicMap.get (name.toUpperCase ()); return (a == null ? -1 : a.index); }, "~S"); Clazz.defineMethod (c$, "addNewBondWithOrder", function (atomIndex1, atomIndex2, order) { -if (atomIndex1 >= 0 && atomIndex1 < this.ac && atomIndex2 >= 0 && atomIndex2 < this.ac && atomIndex1 != atomIndex2) this.addBond ( new J.adapter.smarter.Bond (atomIndex1, atomIndex2, order)); +var b = null; +if (atomIndex1 >= 0 && atomIndex1 < this.ac && atomIndex2 >= 0 && atomIndex2 < this.ac && atomIndex1 != atomIndex2) { +b = new J.adapter.smarter.Bond (atomIndex1, atomIndex2, order); +this.addBond (b); +}return b; }, "~N,~N,~N"); Clazz.defineMethod (c$, "addNewBondFromNames", function (atomName1, atomName2, order) { @@ -582,6 +595,7 @@ ii++; } this.setInfo ("trajectorySteps", this.trajectorySteps); if (this.vibrationSteps != null) this.setInfo ("vibrationSteps", this.vibrationSteps); +if (this.ac == 0) this.ac = trajectory.length; }); Clazz.defineMethod (c$, "newAtomSet", function () { @@ -605,8 +619,10 @@ this.atomSetNumbers = JU.AU.doubleLengthI (this.atomSetNumbers); this.atomSetNumbers[this.iSet + this.trajectoryStepCount] = this.atomSetCount + this.trajectoryStepCount; } else { this.atomSetNumbers[this.iSet] = this.atomSetCount; -}if (doClearMap) this.atomSymbolicMap.clear (); -this.setCurrentModelInfo ("title", this.collectionName); +}if (doClearMap) { +this.atomSymbolicMap.clear (); +this.atomMapAnyCase = false; +}this.setCurrentModelInfo ("title", this.collectionName); }, "~B"); Clazz.defineMethod (c$, "getAtomSetAtomIndex", function (i) { diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomSetCollectionReader.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomSetCollectionReader.js index ab88d3d9..e059a44b 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomSetCollectionReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/AtomSetCollectionReader.js @@ -79,15 +79,20 @@ this.fileOffsetFractional = null; this.unitCellOffset = null; this.unitCellOffsetFractional = false; this.moreUnitCellInfo = null; +this.paramsLattice = null; +this.paramsCentroid = false; +this.paramsPacked = false; this.filePath = null; this.fileName = null; -this.stateScriptVersionInt = 2147483647; this.baseAtomIndex = 0; +this.baseBondIndex = 0; +this.stateScriptVersionInt = 2147483647; this.isFinalized = false; this.haveModel = false; this.previousSpaceGroup = null; this.previousUnitCell = null; this.nMatrixElements = 0; +this.ucItems = null; this.matUnitCellOrientation = null; this.bsFilter = null; this.filter = null; @@ -118,6 +123,7 @@ this.nameRequired = null; this.doCentroidUnitCell = false; this.centroidPacked = false; this.strSupercell = null; +this.allow_a_len_1 = false; this.filter1 = null; this.filter2 = null; this.matRot = null; @@ -175,8 +181,10 @@ Clazz.defineMethod (c$, "fixBaseIndices", try { var baseModelIndex = (this.htParams.get ("baseModelIndex")).intValue (); this.baseAtomIndex += this.asc.ac; +this.baseBondIndex += this.asc.bondCount; baseModelIndex += this.asc.atomSetCount; this.htParams.put ("baseAtomIndex", Integer.$valueOf (this.baseAtomIndex)); +this.htParams.put ("baseBondIndex", Integer.$valueOf (this.baseBondIndex)); this.htParams.put ("baseModelIndex", Integer.$valueOf (baseModelIndex)); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { @@ -237,8 +245,10 @@ Clazz.defineMethod (c$, "finalizeReaderASCR", function () { this.isFinalized = true; if (this.asc.atomSetCount > 0) { -if (this.asc.atomSetCount == 1) this.asc.setCurrentModelInfo ("dbName", this.htParams.get ("dbName")); -this.applySymmetryAndSetTrajectory (); +if (this.asc.atomSetCount == 1) { +this.asc.setCurrentModelInfo ("dbName", this.htParams.get ("dbName")); +this.asc.setCurrentModelInfo ("auxFiles", this.htParams.get ("auxFiles")); +}this.applySymmetryAndSetTrajectory (); this.asc.finalizeStructures (); if (this.doCentralize) this.asc.centralize (); if (this.fillRange != null) this.asc.setInfo ("boundbox", this.fillRange); @@ -316,19 +326,15 @@ return this.asc; }); Clazz.defineMethod (c$, "setError", function (e) { -var s; -{ -if (e.getMessage) -s = e.getMessage(); -else -s = e.toString(); -}if (this.line == null) this.asc.errorMessage = "Error reading file at end of file \n" + s; +var s = e.getMessage (); +if (this.line == null) this.asc.errorMessage = "Error reading file at end of file \n" + s; else this.asc.errorMessage = "Error reading file at line " + this.ptLine + ":\n" + this.line + "\n" + s; e.printStackTrace (); }, "Throwable"); Clazz.defineMethod (c$, "initialize", function () { if (this.htParams.containsKey ("baseAtomIndex")) this.baseAtomIndex = (this.htParams.get ("baseAtomIndex")).intValue (); +if (this.htParams.containsKey ("baseBondIndex")) this.baseBondIndex = (this.htParams.get ("baseBondIndex")).intValue (); this.initializeSymmetry (); this.vwr = this.htParams.remove ("vwr"); if (this.htParams.containsKey ("stateScriptVersionInt")) this.stateScriptVersionInt = (this.htParams.get ("stateScriptVersionInt")).intValue (); @@ -380,6 +386,9 @@ for (var i = this.firstLastStep[0]; i <= this.firstLastStep[1]; i += this.firstL }}if (this.bsModels != null && (this.firstLastStep == null || this.firstLastStep[1] != -1)) this.lastModelNumber = this.bsModels.length (); this.symmetryRange = (this.htParams.containsKey ("symmetryRange") ? (this.htParams.get ("symmetryRange")).floatValue () : 0); +this.paramsLattice = this.htParams.get ("lattice"); +this.paramsCentroid = this.htParams.containsKey ("centroid"); +this.paramsPacked = this.htParams.containsKey ("packed"); this.initializeSymmetryOptions (); if (this.htParams.containsKey ("spaceGroupIndex")) { this.desiredSpaceGroupIndex = (this.htParams.get ("spaceGroupIndex")).intValue (); @@ -411,7 +420,7 @@ Clazz.defineMethod (c$, "initializeSymmetryOptions", function () { this.latticeCells = Clazz.newIntArray (4, 0); this.doApplySymmetry = false; -var pt = this.htParams.get ("lattice"); +var pt = this.paramsLattice; if (pt == null || pt.length () == 0) { if (!this.forcePacked && this.strSupercell == null) return; pt = JU.P3.new3 (1, 1, 1); @@ -419,9 +428,9 @@ pt = JU.P3.new3 (1, 1, 1); this.latticeCells[1] = Clazz.floatToInt (pt.y); this.latticeCells[2] = Clazz.floatToInt (pt.z); if (Clazz.instanceOf (pt, JU.T4)) this.latticeCells[3] = Clazz.floatToInt ((pt).w); -this.doCentroidUnitCell = (this.htParams.containsKey ("centroid")); +this.doCentroidUnitCell = this.paramsCentroid; if (this.doCentroidUnitCell && (this.latticeCells[2] == -1 || this.latticeCells[2] == 0)) this.latticeCells[2] = 1; -var isPacked = this.forcePacked || this.htParams.containsKey ("packed"); +var isPacked = this.forcePacked || this.paramsPacked; this.centroidPacked = this.doCentroidUnitCell && isPacked; this.doPackUnitCell = !this.doCentroidUnitCell && (isPacked || this.latticeCells[2] < 0); this.doApplySymmetry = (this.latticeCells[0] > 0 && this.latticeCells[1] > 0); @@ -479,7 +488,7 @@ Clazz.defineMethod (c$, "setSpaceGroupName", function (name) { if (this.ignoreFileSpaceGroupName || name == null) return; var s = name.trim (); -if (s.equals (this.sgName)) return; +if (s.length == 0 || s.equals ("HM:") || s.equals (this.sgName)) return; if (!s.equals ("P1")) JU.Logger.info ("Setting space group name to " + s); this.sgName = s; }, "~S"); @@ -509,7 +518,11 @@ this.checkUnitCell (6); Clazz.defineMethod (c$, "setUnitCellItem", function (i, x) { if (this.ignoreFileUnitCell) return; -if (i == 0 && x == 1 && !this.checkFilterKey ("TOPOS") || i == 3 && x == 0) return; +if (i == 0 && x == 1 && !this.allow_a_len_1 || i == 3 && x == 0) { +if (this.ucItems == null) this.ucItems = Clazz.newFloatArray (6, 0); +this.ucItems[i] = x; +return; +}if (this.ucItems != null && i < 6) this.ucItems[i] = x; if (!Float.isNaN (x) && i >= 6 && Float.isNaN (this.unitCellParams[6])) this.initializeCartesianToFractional (); this.unitCellParams[i] = x; if (this.debugging) { @@ -612,6 +625,7 @@ this.isDSSP1 = this.checkFilterKey ("DSSP1"); this.doReadMolecularOrbitals = !this.checkFilterKey ("NOMO"); this.useAltNames = this.checkFilterKey ("ALTNAME"); this.reverseModels = this.checkFilterKey ("REVERSEMODELS"); +this.allow_a_len_1 = this.checkFilterKey ("TOPOS"); if (this.filter == null) return; if (this.checkFilterKey ("HETATM")) { this.filterHetero = true; @@ -627,13 +641,13 @@ if (this.nameRequired.startsWith ("'")) this.nameRequired = JU.PT.split (this.na this.filter = JU.PT.rep (this.filter, this.nameRequired, ""); filter0 = this.filter = JU.PT.rep (this.filter, "NAME=", ""); }this.filterAtomName = this.checkFilterKey ("*.") || this.checkFilterKey ("!."); -this.filterElement = this.checkFilterKey ("_"); +if (this.filter.startsWith ("_") || this.filter.indexOf (";_") >= 0) this.filterElement = this.checkFilterKey ("_"); this.filterGroup3 = this.checkFilterKey ("["); this.filterChain = this.checkFilterKey (":"); this.filterAltLoc = this.checkFilterKey ("%"); this.filterEveryNth = this.checkFilterKey ("/="); if (this.filterEveryNth) this.filterN = this.parseIntAt (this.filter, this.filter.indexOf ("/=") + 2); - else this.filterAtomType = this.checkFilterKey ("="); + else if (this.filter.startsWith ("=") || this.filter.indexOf (";=") >= 0) this.filterAtomType = this.checkFilterKey ("="); if (this.filterN == -2147483648) this.filterEveryNth = false; this.haveAtomFilter = this.filterAtomName || this.filterAtomType || this.filterElement || this.filterGroup3 || this.filterChain || this.filterAltLoc || this.filterHetero || this.filterEveryNth || this.checkFilterKey ("/="); if (this.bsFilter == null) { @@ -661,6 +675,13 @@ Clazz.defineMethod (c$, "checkFilterKey", function (key) { return (this.filter != null && this.filter.indexOf (key) >= 0); }, "~S"); +Clazz.defineMethod (c$, "checkAndRemoveFilterKey", +function (key) { +if (!this.checkFilterKey (key)) return false; +this.filter = JU.PT.rep (this.filter, key, ""); +if (this.filter.length < 3) this.filter = null; +return true; +}, "~S"); Clazz.defineMethod (c$, "filterAtom", function (atom, iAtom) { if (!this.haveAtomFilter) return true; @@ -690,6 +711,7 @@ Clazz.defineMethod (c$, "set2D", function () { this.asc.setInfo ("is2D", Boolean.TRUE); if (!this.checkFilterKey ("NOMIN")) this.asc.setInfo ("doMinimize", Boolean.TRUE); +this.appendLoadNote ("This model is 2D. Its 3D structure will be generated."); }); Clazz.defineMethod (c$, "doGetVibration", function (vibrationNumber) { @@ -977,7 +999,7 @@ this.prevline = this.line; this.line = this.reader.readLine (); if (this.out != null && this.line != null) this.out.append (this.line).append ("\n"); this.ptLine++; -if (this.debugging && this.line != null) JU.Logger.debug (this.line); +if (this.debugging && this.line != null) JU.Logger.info (this.line); return this.line; }); c$.getStrings = Clazz.defineMethod (c$, "getStrings", diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Bond.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Bond.js index 71a23dbd..912b1593 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Bond.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Bond.js @@ -7,6 +7,7 @@ this.order = 0; this.radius = -1; this.colix = -1; this.uniqueID = -1; +this.distance = 0; Clazz.instantialize (this, arguments); }, J.adapter.smarter, "Bond", J.adapter.smarter.AtomSetObject); Clazz.makeConstructor (c$, @@ -16,4 +17,12 @@ this.atomIndex1 = atomIndex1; this.atomIndex2 = atomIndex2; this.order = order; }, "~N,~N,~N"); +Clazz.makeConstructor (c$, +function () { +Clazz.superConstructor (this, J.adapter.smarter.Bond, []); +}); +Clazz.overrideMethod (c$, "toString", +function () { +return "[Bond " + this.atomIndex1 + " " + this.atomIndex2 + " " + this.order + "]"; +}); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Resolver.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Resolver.js index 0a98ce25..7161a6fb 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Resolver.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/smarter/Resolver.js @@ -108,6 +108,7 @@ var leader = llr.getHeader (64).trim (); if (leader.indexOf ("PNG") == 1 && leader.indexOf ("PNGJ") >= 0) return "pngj"; if (leader.indexOf ("PNG") == 1 || leader.indexOf ("JPG") == 1 || leader.indexOf ("JFIF") == 6) return "spt"; if (leader.indexOf ("\"num_pairs\"") >= 0) return "dssr"; +if (leader.indexOf ("output.31\n") >= 0) return "GenNBO|output.31"; if ((readerName = J.adapter.smarter.Resolver.checkFileStart (leader)) != null) { return (readerName.equals ("Xml") ? J.adapter.smarter.Resolver.getXmlType (llr.getHeader (0)) : readerName); }var lines = new Array (16); @@ -154,6 +155,8 @@ case 1: return "Xyz"; case 2: return "Bilbao"; +case 3: +return "PWmat"; } if (J.adapter.smarter.Resolver.checkAlchemy (lines[0])) return "Alchemy"; if (J.adapter.smarter.Resolver.checkFoldingXyz (lines)) return "FoldingXyz"; @@ -219,7 +222,7 @@ return (leader.indexOf ("$GENNBO") >= 0 || lines[1].startsWith (" Basis set info c$.checkMol = Clazz.defineMethod (c$, "checkMol", function (lines) { var line4trimmed = ("X" + lines[3]).trim ().toUpperCase (); -if (line4trimmed.length < 7 || line4trimmed.indexOf (".") >= 0) return 0; +if (line4trimmed.length < 7 || line4trimmed.indexOf (".") >= 0 || lines[0].startsWith ("data_")) return 0; if (line4trimmed.endsWith ("V2000")) return 2000; if (line4trimmed.endsWith ("V3000")) return 3000; var n1 = JU.PT.parseInt (lines[3].substring (0, 3).trim ()); @@ -252,7 +255,7 @@ return (lines[2].startsWith ("MODE OF CALC=") || lines[2].startsWith (" }, "~A"); c$.checkXyz = Clazz.defineMethod (c$, "checkXyz", function (lines) { -if (J.adapter.smarter.Resolver.isInt (lines[0].trim ())) return (J.adapter.smarter.Resolver.isInt (lines[2].trim ()) ? 2 : 1); +if (J.adapter.smarter.Resolver.isInt (lines[0].trim ())) return (J.adapter.smarter.Resolver.isInt (lines[2]) ? 2 : lines.length > 5 && lines[5].length > 8 && lines[5].substring (0, 8).equalsIgnoreCase ("position") ? 3 : 1); return (lines[0].indexOf ("Bilabao Crys") >= 0 ? 2 : 0); }, "~A"); c$.checkLineStarts = Clazz.defineMethod (c$, "checkLineStarts", @@ -346,7 +349,7 @@ return null; }, "~A"); Clazz.defineStatics (c$, "classBase", "J.adapter.readers."); -c$.readerSets = c$.prototype.readerSets = Clazz.newArray (-1, ["cif.", ";Cif;Cif2;MMCif;MMTF;MagCif", "molxyz.", ";Mol3D;Mol;Xyz;", "more.", ";AFLOW;BinaryDcd;Gromacs;Jcampdx;MdCrd;MdTop;Mol2;TlsDataOnly;", "quantum.", ";Adf;Csf;Dgrid;GamessUK;GamessUS;Gaussian;GaussianFchk;GaussianWfn;Jaguar;Molden;MopacGraphf;GenNBO;NWChem;Psi;Qchem;QCJSON;WebMO;MO;", "pdb.", ";Pdb;Pqr;P2n;JmolData;", "pymol.", ";PyMOL;", "simple.", ";Alchemy;Ampac;Cube;FoldingXyz;GhemicalMM;HyperChem;Jme;JSON;Mopac;MopacArchive;Tinker;Input;FAH;", "spartan.", ";Spartan;SpartanSmol;Odyssey;", "xtal.", ";Abinit;Aims;Bilbao;Castep;Cgd;Crystal;Dmol;Espresso;Gulp;Jana;Magres;Shelx;Siesta;VaspOutcar;VaspPoscar;Wien2k;Xcrysden;", "xml.", ";XmlArgus;XmlCml;XmlChem3d;XmlMolpro;XmlOdyssey;XmlXsd;XmlVasp;XmlQE;"]); +c$.readerSets = c$.prototype.readerSets = Clazz.newArray (-1, ["cif.", ";Cif;Cif2;MMCif;MMTF;MagCif", "molxyz.", ";Mol3D;Mol;Xyz;", "more.", ";AFLOW;BinaryDcd;Gromacs;Jcampdx;MdCrd;MdTop;Mol2;TlsDataOnly;", "quantum.", ";Adf;Csf;Dgrid;GamessUK;GamessUS;Gaussian;GaussianFchk;GaussianWfn;Jaguar;Molden;MopacGraphf;GenNBO;NWChem;Psi;Qchem;QCJSON;WebMO;MO;", "pdb.", ";Pdb;Pqr;P2n;JmolData;", "pymol.", ";PyMOL;", "simple.", ";Alchemy;Ampac;Cube;FoldingXyz;GhemicalMM;HyperChem;Jme;JSON;Mopac;MopacArchive;Tinker;Input;FAH;", "spartan.", ";Spartan;SpartanSmol;Odyssey;", "xtal.", ";Abinit;Aims;Bilbao;Castep;Cgd;Crystal;Dmol;Espresso;Gulp;Jana;Magres;Shelx;Siesta;VaspOutcar;VaspPoscar;Wien2k;Xcrysden;PWmat;", "xml.", ";XmlArgus;XmlCml;XmlChem3d;XmlMolpro;XmlOdyssey;XmlXsd;XmlVasp;XmlQE;"]); Clazz.defineStatics (c$, "CML_NAMESPACE_URI", "http://www.xml-cml.org/schema", "LEADER_CHAR_MAX", 64, @@ -367,7 +370,7 @@ Clazz.defineStatics (c$, "jmoldataStartRecords", Clazz.newArray (-1, ["JmolData", "REMARK 6 Jmol"]), "pqrStartRecords", Clazz.newArray (-1, ["Pqr", "REMARK 1 PQR", "REMARK The B-factors"]), "p2nStartRecords", Clazz.newArray (-1, ["P2n", "REMARK 1 P2N"]), -"cif2StartRecords", Clazz.newArray (-1, ["Cif2", "#\\#CIF_2"]), +"cif2StartRecords", Clazz.newArray (-1, ["Cif2", "#\\#CIF_2", "\u00EF\u00BB\u00BF#\\#CIF_2"]), "xmlStartRecords", Clazz.newArray (-1, ["Xml", "= 555 && (this.latticeCells[2] == 0 || this.latticeCells[2] == 1 || this.latticeCells[2] == -1)); this.doNormalize = this.latticeCells[0] != 0 && (!isLatticeRange || this.latticeCells[2] == 1); this.applySymmetryToBonds = this.acr.applySymmetryToBonds; -this.doPackUnitCell = this.acr.doPackUnitCell; +this.doPackUnitCell = this.acr.doPackUnitCell && !this.applySymmetryToBonds; this.doCentroidUnitCell = this.acr.doCentroidUnitCell; this.centroidPacked = this.acr.centroidPacked; this.filterSymop = this.acr.filterSymop; @@ -204,7 +206,7 @@ pt0.setT (atoms[i]); this.symmetry.toCartesian (pt0, false); this.sym2.toFractional (pt0, false); if (this.acr.fixJavaFloat) JU.PT.fixPtFloats (pt0, 100000.0); -if (!this.isWithinCell (this.dtype, pt0, 0, 1, 0, 1, 0, 1, this.packingError)) bsAtoms.clear (i); +if (!this.isWithinCell (this.ndims, pt0, 0, 1, 0, 1, 0, 1, this.packingError)) bsAtoms.clear (i); } return; }var offset = null; @@ -219,9 +221,7 @@ var isSuper = (supercell != null && supercell.indexOf (",") >= 0); if (isSuper) { oabc = this.symmetry.getV0abc (supercell); if (oabc != null) { -this.minXYZ = new JU.P3i (); -this.maxXYZ = JU.P3i.new3 (maxX, maxY, maxZ); -JU.SimpleUnitCell.setMinMaxLatticeParameters (dim, this.minXYZ, this.maxXYZ, kcode); +this.setMinMax (dim, kcode, maxX, maxY, maxZ); pt0 = JU.P3.newP (oabc[0]); va = JU.P3.newP (oabc[1]); vb = JU.P3.newP (oabc[2]); @@ -257,19 +257,28 @@ if (pt0 != null) atoms[i].sub (pt0); } this.asc.haveAnisou = false; this.asc.setCurrentModelInfo ("matUnitCellOrientation", null); -}this.minXYZ = new JU.P3i (); -this.maxXYZ = JU.P3i.new3 (maxX, maxY, maxZ); -JU.SimpleUnitCell.setMinMaxLatticeParameters (dim, this.minXYZ, this.maxXYZ, kcode); +}this.setMinMax (dim, kcode, maxX, maxY, maxZ); if (oabc == null) { this.applyAllSymmetry (this.acr.ms, bsAtoms); -return; -}if (this.acr.forcePacked || this.doPackUnitCell) { +if (!this.applySymmetryToBonds || !this.acr.doPackUnitCell) return; +this.setMinMax (dim, kcode, maxX, maxY, maxZ); +}if (this.acr.forcePacked || this.acr.doPackUnitCell) { +this.trimToUnitCell (iAtomFirst); +}}); +Clazz.defineMethod (c$, "setMinMax", + function (dim, kcode, maxX, maxY, maxZ) { +this.minXYZ = new JU.P3i (); +this.maxXYZ = JU.P3i.new3 (maxX, maxY, maxZ); +JU.SimpleUnitCell.setMinMaxLatticeParameters (dim, this.minXYZ, this.maxXYZ, kcode); +}, "~N,~N,~N,~N,~N"); +Clazz.defineMethod (c$, "trimToUnitCell", + function (iAtomFirst) { var atoms = this.asc.atoms; var bs = this.updateBSAtoms (); for (var i = bs.nextSetBit (iAtomFirst); i >= 0; i = bs.nextSetBit (i + 1)) { -if (!this.isWithinCell (this.dtype, atoms[i], this.minXYZ.x, this.maxXYZ.x, this.minXYZ.y, this.maxXYZ.y, this.minXYZ.z, this.maxXYZ.z, this.packingError)) bs.clear (i); +if (!this.isWithinCell (this.ndims, atoms[i], this.minXYZ.x, this.maxXYZ.x, this.minXYZ.y, this.maxXYZ.y, this.minXYZ.z, this.maxXYZ.z, this.packingError)) bs.clear (i); } -}}); +}, "~N"); Clazz.defineMethod (c$, "updateBSAtoms", function () { var bs = this.asc.bsAtoms; @@ -329,32 +338,34 @@ if (this.rmaxy < c.y) this.rmaxy = c.y; if (this.rmaxz < c.z) this.rmaxz = c.z; }, "JU.P3"); Clazz.defineMethod (c$, "isWithinCell", -function (dtype, pt, minX, maxX, minY, maxY, minZ, maxZ, slop) { -return (pt.x > minX - slop && pt.x < maxX + slop && (dtype < 2 || pt.y > minY - slop && pt.y < maxY + slop) && (dtype < 3 || pt.z > minZ - slop && pt.z < maxZ + slop)); +function (ndims, pt, minX, maxX, minY, maxY, minZ, maxZ, slop) { +return (pt.x > minX - slop && pt.x < maxX + slop && (ndims < 2 || pt.y > minY - slop && pt.y < maxY + slop) && (ndims < 3 || pt.z > minZ - slop && pt.z < maxZ + slop)); }, "~N,JU.P3,~N,~N,~N,~N,~N,~N,~N"); Clazz.defineMethod (c$, "applyAllSymmetry", function (ms, bsAtoms) { if (this.asc.ac == 0 || bsAtoms != null && bsAtoms.isEmpty ()) return; var n = this.noSymmetryCount = this.asc.baseSymmetryAtomCount > 0 ? this.asc.baseSymmetryAtomCount : bsAtoms == null ? this.asc.getLastAtomSetAtomCount () : this.asc.ac - bsAtoms.nextSetBit (this.asc.getLastAtomSetAtomIndex ()); this.asc.setTensors (); +this.applySymmetryToBonds = this.acr.applySymmetryToBonds; +this.doPackUnitCell = this.acr.doPackUnitCell && !this.applySymmetryToBonds; this.bondCount0 = this.asc.bondCount; this.finalizeSymmetry (this.symmetry); var operationCount = this.symmetry.getSpaceGroupOperationCount (); var excludedOps = (this.acr.thisBiomolecule == null ? null : new JU.BS ()); if (excludedOps != null) this.asc.checkSpecial = true; -this.dtype = Clazz.floatToInt (this.symmetry.getUnitCellInfoType (6)); -JU.SimpleUnitCell.setMinMaxLatticeParameters (this.dtype, this.minXYZ, this.maxXYZ, 0); +this.ndims = Clazz.floatToInt (this.symmetry.getUnitCellInfoType (6)); +JU.SimpleUnitCell.setMinMaxLatticeParameters (this.ndims, this.minXYZ, this.maxXYZ, 0); this.latticeOp = this.symmetry.getLatticeOp (); this.latticeOnly = (this.asc.checkLatticeOnly && this.latticeOp >= 0); if (this.doCentroidUnitCell) this.asc.setInfo ("centroidMinMax", Clazz.newIntArray (-1, [this.minXYZ.x, this.minXYZ.y, this.minXYZ.z, this.maxXYZ.x, this.maxXYZ.y, this.maxXYZ.z, (this.centroidPacked ? 1 : 0)])); -if (this.doCentroidUnitCell || this.doPackUnitCell || this.symmetryRange != 0 && this.maxXYZ.x - this.minXYZ.x == 1 && this.maxXYZ.y - this.minXYZ.y == 1 && this.maxXYZ.z - this.minXYZ.z == 1) { +if (this.doCentroidUnitCell || this.acr.doPackUnitCell || this.symmetryRange != 0 && this.maxXYZ.x - this.minXYZ.x == 1 && this.maxXYZ.y - this.minXYZ.y == 1 && this.maxXYZ.z - this.minXYZ.z == 1) { this.minXYZ0 = JU.P3.new3 (this.minXYZ.x, this.minXYZ.y, this.minXYZ.z); this.maxXYZ0 = JU.P3.new3 (this.maxXYZ.x, this.maxXYZ.y, this.maxXYZ.z); if (ms != null) { ms.setMinMax0 (this.minXYZ0, this.maxXYZ0); this.minXYZ.set (Clazz.floatToInt (this.minXYZ0.x), Clazz.floatToInt (this.minXYZ0.y), Clazz.floatToInt (this.minXYZ0.z)); this.maxXYZ.set (Clazz.floatToInt (this.maxXYZ0.x), Clazz.floatToInt (this.maxXYZ0.y), Clazz.floatToInt (this.maxXYZ0.z)); -}switch (this.dtype) { +}switch (this.ndims) { case 3: this.minXYZ.z--; this.maxXYZ.z++; @@ -373,7 +384,6 @@ var atoms = this.asc.atoms; for (var i = 0; i < n; i++) atoms[this.firstAtom + i].bsSymmetry = JU.BS.newN (operationCount * (nCells + 1)); var pt = 0; -var unitCells = Clazz.newIntArray (nCells, 0); this.unitCellTranslations = new Array (nCells); var iCell = 0; var cell555Count = 0; @@ -384,26 +394,20 @@ var checkRange111 = (this.symmetryRange > 0); if (checkCartesianRange) { this.rminx = this.rminy = this.rminz = 3.4028235E38; this.rmaxx = this.rmaxy = this.rmaxz = -3.4028235E38; -}var thisSymmetry = this.symmetry; -var lastSymmetry = thisSymmetry; +}var sym = this.symmetry; +var lastSymmetry = sym; this.checkAll = (this.latticeOnly || this.asc.atomSetCount == 1 && this.asc.checkSpecial && this.latticeOp >= 0); -var pttemp = null; -var op = thisSymmetry.getSpaceGroupOperation (0); -if (this.doPackUnitCell) { -pttemp = new JU.P3 (); -this.ptOffset.set (0, 0, 0); -}var atomMap = (this.bondCount0 > this.asc.bondIndex0 && this.applySymmetryToBonds ? Clazz.newIntArray (n, 0) : null); var lstNCS = this.acr.lstNCS; if (lstNCS != null && lstNCS.get (0).m33 == 0) { -var nOp = thisSymmetry.getSpaceGroupOperationCount (); +var nOp = sym.getSpaceGroupOperationCount (); var nn = lstNCS.size (); for (var i = nn; --i >= 0; ) { var m = lstNCS.get (i); m.m33 = 1; -thisSymmetry.toFractionalM (m); +sym.toFractionalM (m); } for (var i = 1; i < nOp; i++) { -var m1 = thisSymmetry.getSpaceGroupOperation (i); +var m1 = sym.getSpaceGroupOperation (i); for (var j = 0; j < nn; j++) { var m = JU.M4.newM4 (lstNCS.get (j)); m.mul2 (m1, m); @@ -411,24 +415,33 @@ if (this.doNormalize) JS.SymmetryOperation.setOffset (m, atoms, this.firstAtom, lstNCS.addLast (m); } } -}for (var tx = this.minXYZ.x; tx < this.maxXYZ.x; tx++) for (var ty = this.minXYZ.y; ty < this.maxXYZ.y; ty++) for (var tz = this.minXYZ.z; tz < this.maxXYZ.z; tz++) { +}var pttemp = null; +var op = sym.getSpaceGroupOperation (0); +if (this.doPackUnitCell) { +pttemp = new JU.P3 (); +this.ptOffset.set (0, 0, 0); +}var atomMap = (this.bondCount0 > this.asc.bondIndex0 && this.applySymmetryToBonds ? Clazz.newIntArray (n, 0) : null); +var unitCells = Clazz.newIntArray (nCells, 0); +for (var tx = this.minXYZ.x; tx < this.maxXYZ.x; tx++) { +for (var ty = this.minXYZ.y; ty < this.maxXYZ.y; ty++) { +for (var tz = this.minXYZ.z; tz < this.maxXYZ.z; tz++) { this.unitCellTranslations[iCell] = JU.V3.new3 (tx, ty, tz); unitCells[iCell++] = 555 + tx * 100 + ty * 10 + tz; if (tx != 0 || ty != 0 || tz != 0 || cartesians.length == 0) continue; for (pt = 0; pt < n; pt++) { var atom = atoms[this.firstAtom + pt]; if (ms != null) { -thisSymmetry = ms.getAtomSymmetry (atom, this.symmetry); -if (thisSymmetry !== lastSymmetry) { -if (thisSymmetry.getSpaceGroupOperationCount () == 0) this.finalizeSymmetry (lastSymmetry = thisSymmetry); -op = thisSymmetry.getSpaceGroupOperation (0); +sym = ms.getAtomSymmetry (atom, this.symmetry); +if (sym !== lastSymmetry) { +if (sym.getSpaceGroupOperationCount () == 0) this.finalizeSymmetry (lastSymmetry = sym); +op = sym.getSpaceGroupOperation (0); }}var c = JU.P3.newP (atom); op.rotTrans (c); -thisSymmetry.toCartesian (c, false); +sym.toCartesian (c, false); if (this.doPackUnitCell) { -thisSymmetry.toUnitCell (c, this.ptOffset); +sym.toUnitCell (c, this.ptOffset); pttemp.setT (c); -thisSymmetry.toFractional (pttemp, false); +sym.toFractional (pttemp, false); if (this.acr.fixJavaFloat) JU.PT.fixPtFloats (pttemp, 100000.0); if (bsAtoms == null) atom.setT (pttemp); else if (atom.distance (pttemp) < 0.0001) bsAtoms.set (atom.index); @@ -450,8 +463,8 @@ this.rmaxy += absRange; this.rmaxz += absRange; }cell555Count = pt = this.symmetryAddAtoms (0, 0, 0, 0, pt, iCell * operationCount, cartesians, ms, excludedOps, atomMap); } - - +} +} if (checkRange111) { this.rminx -= absRange; this.rminy -= absRange; @@ -470,7 +483,7 @@ if (iCell * n == this.asc.ac - this.firstAtom) this.duplicateAtomProperties (iCe this.setSymmetryOps (); this.asc.setCurrentModelInfo ("presymmetryAtomIndex", Integer.$valueOf (this.firstAtom)); this.asc.setCurrentModelInfo ("presymmetryAtomCount", Integer.$valueOf (n)); -this.asc.setCurrentModelInfo ("latticeDesignation", thisSymmetry.getLatticeDesignation ()); +this.asc.setCurrentModelInfo ("latticeDesignation", sym.getLatticeDesignation ()); this.asc.setCurrentModelInfo ("unitCellRange", unitCells); this.asc.setCurrentModelInfo ("unitCellTranslations", this.unitCellTranslations); this.baseUnitCell = this.unitCellParams; @@ -498,10 +511,10 @@ var checkDistances = (checkSpecial || checkSymmetryRange); var checkOps = (excludedOps != null); var addCartesian = (checkSpecial || checkSymmetryMinMax); var bsAtoms = (this.acr.isMolecular ? null : this.asc.bsAtoms); -var symmetry = this.symmetry; +var sym = this.symmetry; if (checkRangeNoSymmetry) baseCount = this.noSymmetryCount; var atomMax = this.firstAtom + this.noSymmetryCount; -var ptAtom = new JU.P3 (); +var pttemp = new JU.P3 (); var code = null; var d0 = (checkOps ? 0.01 : 0.0001); var subSystemId = '\u0000'; @@ -509,7 +522,7 @@ var j00 = (bsAtoms == null ? this.firstAtom : bsAtoms.nextSetBit (this.firstAtom out : for (var iSym = 0; iSym < nOperations; iSym++) { if (isBaseCell && iSym == 0 || this.latticeOnly && iSym > 0 && (iSym % this.latticeOp) != 0 || excludedOps != null && excludedOps.get (iSym)) continue; var pt0 = this.firstAtom + (checkSpecial || excludedOps != null ? pt : checkRange111 ? baseCount : 0); -var spinOp = (iSym >= nOp ? 0 : this.asc.vibScale == 0 ? symmetry.getSpinOp (iSym) : this.asc.vibScale); +var spinOp = (iSym >= nOp ? 0 : this.asc.vibScale == 0 ? sym.getSpinOp (iSym) : this.asc.vibScale); var i0 = Math.max (this.firstAtom, (bsAtoms == null ? 0 : bsAtoms.nextSetBit (0))); var checkDistance = checkDistances; var spt = (iSym >= nOp ? Clazz.doubleToInt ((iSym - nOp) / nNCS) : iSym); @@ -518,24 +531,24 @@ for (var i = i0; i < atomMax; i++) { var a = this.asc.atoms[i]; if (a.ignoreSymmetry || bsAtoms != null && !bsAtoms.get (i)) continue; if (ms == null) { -symmetry.newSpaceGroupPoint (iSym, a, ptAtom, transX, transY, transZ, (iSym >= nOp ? lstNCS.get (iSym - nOp) : null)); +sym.newSpaceGroupPoint (iSym, a, pttemp, transX, transY, transZ, (iSym >= nOp ? lstNCS.get (iSym - nOp) : null)); } else { -symmetry = ms.getAtomSymmetry (a, this.symmetry); -symmetry.newSpaceGroupPoint (iSym, a, ptAtom, transX, transY, transZ, null); -code = symmetry.getSpaceGroupOperationCode (iSym); +sym = ms.getAtomSymmetry (a, this.symmetry); +sym.newSpaceGroupPoint (iSym, a, pttemp, transX, transY, transZ, null); +code = sym.getSpaceGroupOperationCode (iSym); if (code != null) { subSystemId = code.charAt (0); -symmetry = ms.getSymmetryFromCode (code); -if (symmetry.getSpaceGroupOperationCount () == 0) this.finalizeSymmetry (symmetry); -}}if (this.acr.fixJavaFloat) JU.PT.fixPtFloats (ptAtom, 100000.0); -var c = JU.P3.newP (ptAtom); -symmetry.toCartesian (c, false); +sym = ms.getSymmetryFromCode (code); +if (sym.getSpaceGroupOperationCount () == 0) this.finalizeSymmetry (sym); +}}if (this.acr.fixJavaFloat) JU.PT.fixPtFloats (pttemp, 100000.0); +var c = JU.P3.newP (pttemp); +sym.toCartesian (c, false); if (this.doPackUnitCell) { -symmetry.toUnitCell (c, this.ptOffset); -ptAtom.setT (c); -symmetry.toFractional (ptAtom, false); -if (this.acr.fixJavaFloat) JU.PT.fixPtFloats (ptAtom, 100000.0); -if (!this.isWithinCell (this.dtype, ptAtom, this.minXYZ0.x, this.maxXYZ0.x, this.minXYZ0.y, this.maxXYZ0.y, this.minXYZ0.z, this.maxXYZ0.z, this.packingError)) continue; +sym.toUnitCell (c, this.ptOffset); +pttemp.setT (c); +sym.toFractional (pttemp, false); +if (this.acr.fixJavaFloat) JU.PT.fixPtFloats (pttemp, 100000.0); +if (!this.isWithinCell (this.ndims, pttemp, this.minXYZ0.x, this.maxXYZ0.x, this.minXYZ0.y, this.maxXYZ0.y, this.minXYZ0.z, this.maxXYZ0.z, this.packingError)) continue; }if (checkSymmetryMinMax) this.setSymmetryMinMax (c); var special = null; if (checkDistance) { @@ -568,11 +581,10 @@ special.bsSymmetry.set (cpt); special.bsSymmetry.set (spt); } else { if (addBonds) atomMap[atomSite] = this.asc.ac; -var atom1 = this.asc.newCloneAtom (a); -atom1.setT (ptAtom); +var atom1 = a.copyTo (pttemp, this.asc); if (this.asc.bsAtoms != null) this.asc.bsAtoms.set (atom1.index); if (spinOp != 0 && atom1.vib != null) { -symmetry.getSpaceGroupOperation (iSym).rotate (atom1.vib); +sym.getSpaceGroupOperation (iSym).rotate (atom1.vib); atom1.vib.scale (spinOp); }atom1.atomSite = atomSite; if (code != null) atom1.altLoc = subSystemId; @@ -586,21 +598,28 @@ for (var j = tensors.size (); --j >= 0; ) { var t = tensors.get (j); if (t == null) continue; if (nOp == 1) atom1.addTensor (t.copyTensor (), null, false); - else this.addRotatedTensor (atom1, t, iSym, false, symmetry); + else this.addRotatedTensor (atom1, t, iSym, false, sym); } }}} if (addBonds) { var bonds = this.asc.bonds; var atoms = this.asc.atoms; +var key; for (var bondNum = this.asc.bondIndex0; bondNum < this.bondCount0; bondNum++) { var bond = bonds[bondNum]; var atom1 = atoms[bond.atomIndex1]; var atom2 = atoms[bond.atomIndex2]; -if (atom1 == null || atom2 == null) continue; -var iAtom1 = atomMap[atom1.atomSite]; -var iAtom2 = atomMap[atom2.atomSite]; -if (iAtom1 >= atomMax || iAtom2 >= atomMax) this.asc.addNewBondWithOrder (iAtom1, iAtom2, bond.order); -} +if (atom1 == null || atom2 == null || atom2.atomSetIndex < atom1.atomSetIndex) continue; +var ia1 = atomMap[atom1.atomSite]; +var ia2 = atomMap[atom2.atomSite]; +if (ia1 > ia2) { +var i = ia1; +ia1 = ia2; +ia2 = i; +}if (ia1 != ia2 && (ia1 >= atomMax || ia2 >= atomMax) && this.bondsFound.indexOf (key = "-" + ia1 + "," + ia2) < 0) { +this.bondsFound.append (key); +this.asc.addNewBondWithOrder (ia1, ia2, bond.order); +}} }} return pt; }, "~N,~N,~N,~N,~N,~N,~A,J.adapter.smarter.MSInterface,JU.BS,~A"); diff --git a/qmpy/web/static/js/jsmol/j2s/J/adapter/writers/QCJSONWriter.js b/qmpy/web/static/js/jsmol/j2s/J/adapter/writers/QCJSONWriter.js index cf30e9fb..5308ebae 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/adapter/writers/QCJSONWriter.js +++ b/qmpy/web/static/js/jsmol/j2s/J/adapter/writers/QCJSONWriter.js @@ -422,7 +422,7 @@ return (this.elementCount == 0); }); Clazz.defineMethod (c$, "allNaN", function () { -return (this.allSame () && JU.PT.parseFloat (isNaN(this.$lastElement)) == true); +return (this.allSame () && JU.PT.parseFloat (this.$lastElement) == NaN); }); Clazz.defineMethod (c$, "allNull", function () { @@ -438,7 +438,7 @@ return (!this.isEmpty () && this.elementCount == this.repeatCount); }); Clazz.defineMethod (c$, "allZero", function () { -return (this.allSame () && JU.PT.parseFloat (isNaN(this.$lastElement)) == false); +return (this.allSame () && JU.PT.parseFloat (this.$lastElement) != NaN); }); Clazz.defineMethod (c$, "hasValues", function () { diff --git a/qmpy/web/static/js/jsmol/j2s/J/api/JmolInChI.js b/qmpy/web/static/js/jsmol/j2s/J/api/JmolInChI.js new file mode 100644 index 00000000..de9ed966 --- /dev/null +++ b/qmpy/web/static/js/jsmol/j2s/J/api/JmolInChI.js @@ -0,0 +1,2 @@ +Clazz.declarePackage ("J.api"); +Clazz.declareInterface (J.api, "JmolInChI"); diff --git a/qmpy/web/static/js/jsmol/j2s/J/api/JmolScriptManager.js b/qmpy/web/static/js/jsmol/j2s/J/api/JmolScriptManager.js index 5f6f66c6..1290ea9a 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/api/JmolScriptManager.js +++ b/qmpy/web/static/js/jsmol/j2s/J/api/JmolScriptManager.js @@ -1,2 +1,8 @@ Clazz.declarePackage ("J.api"); -Clazz.declareInterface (J.api, "JmolScriptManager"); +c$ = Clazz.declareInterface (J.api, "JmolScriptManager"); +Clazz.defineStatics (c$, +"PDB_CARTOONS", 1, +"NO_SCRIPT", 2, +"IS_APPEND", 4, +"NO_AUTOPLAY", 8, +"FILE_DROPPED", 16); diff --git a/qmpy/web/static/js/jsmol/j2s/J/awtjs2d/JSModelKitPopup.js b/qmpy/web/static/js/jsmol/j2s/J/awtjs2d/JSModelKitPopup.js index 4af4b914..d295857e 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/awtjs2d/JSModelKitPopup.js +++ b/qmpy/web/static/js/jsmol/j2s/J/awtjs2d/JSModelKitPopup.js @@ -18,6 +18,30 @@ throw e; } this.isTainted = false; }, "J.api.SC,~N,~N"); +Clazz.overrideMethod (c$, "menuHidePopup", +function (popup) { +try { +(popup).setVisible (false); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +} else { +throw e; +} +} +}, "J.api.SC"); +Clazz.defineMethod (c$, "exitBondRotation", +function () { +try { +if (this.bondRotationCheckBox != null) (this.bondRotationCheckBox).setSelected (false); +if (this.prevBondCheckBox != null) (this.prevBondCheckBox).setSelected (true); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +} else { +throw e; +} +} +Clazz.superCall (this, J.awtjs2d.JSModelKitPopup, "exitBondRotation", []); +}); Clazz.overrideMethod (c$, "getImageIcon", function (fileName) { return "J/modelkit/images/" + fileName; diff --git a/qmpy/web/static/js/jsmol/j2s/J/awtjs2d/Platform.js b/qmpy/web/static/js/jsmol/j2s/J/awtjs2d/Platform.js index 513c3bab..a1de27b7 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/awtjs2d/Platform.js +++ b/qmpy/web/static/js/jsmol/j2s/J/awtjs2d/Platform.js @@ -273,4 +273,17 @@ Clazz.overrideMethod (c$, "forceAsyncLoad", function (filename) { return J.awtjs2d.Platform.Jmol ().isBinaryUrl (filename); }, "~S"); +Clazz.overrideMethod (c$, "getInChI", +function () { +return (J.awtjs2d.Platform.inchi == null ? (J.awtjs2d.Platform.inchi = J.api.Interface.getInterface ("J.inchi.InChIJS", this.vwr, "platform")) : J.awtjs2d.Platform.inchi); +}); +Clazz.overrideMethod (c$, "confirm", +function (msg, msgNo) { +var ok = false; +if (ok) return 0; +if (msgNo != null) ok = false; +return (ok ? 1 : 2); +}, "~S,~S"); +Clazz.defineStatics (c$, +"inchi", null); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/c/CBK.js b/qmpy/web/static/js/jsmol/j2s/J/c/CBK.js index 1fc1cafb..377a3c17 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/c/CBK.js +++ b/qmpy/web/static/js/jsmol/j2s/J/c/CBK.js @@ -34,10 +34,11 @@ Clazz.defineEnumConstant (c$, "LOADSTRUCT", 11, []); Clazz.defineEnumConstant (c$, "MEASURE", 12, []); Clazz.defineEnumConstant (c$, "MESSAGE", 13, []); Clazz.defineEnumConstant (c$, "MINIMIZATION", 14, []); -Clazz.defineEnumConstant (c$, "SERVICE", 15, []); -Clazz.defineEnumConstant (c$, "PICK", 16, []); -Clazz.defineEnumConstant (c$, "RESIZE", 17, []); -Clazz.defineEnumConstant (c$, "SCRIPT", 18, []); -Clazz.defineEnumConstant (c$, "SYNC", 19, []); -Clazz.defineEnumConstant (c$, "STRUCTUREMODIFIED", 20, []); +Clazz.defineEnumConstant (c$, "MODELKIT", 15, []); +Clazz.defineEnumConstant (c$, "SERVICE", 16, []); +Clazz.defineEnumConstant (c$, "PICK", 17, []); +Clazz.defineEnumConstant (c$, "RESIZE", 18, []); +Clazz.defineEnumConstant (c$, "SCRIPT", 19, []); +Clazz.defineEnumConstant (c$, "SYNC", 20, []); +Clazz.defineEnumConstant (c$, "STRUCTUREMODIFIED", 21, []); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/export/___Exporter.js b/qmpy/web/static/js/jsmol/j2s/J/export/___Exporter.js index ea30b0b9..7e011fb2 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/export/___Exporter.js +++ b/qmpy/web/static/js/jsmol/j2s/J/export/___Exporter.js @@ -63,7 +63,7 @@ this.gdata = g3d; this.privateKey = privateKey; this.backgroundColix = vwr.getObjectColix (0); this.center.setT (this.tm.fixedRotationCenter); -this.exportScale = vwr.getFloat (570425358); +this.exportScale = vwr.getFloat (570425357); if (this.exportScale == 0) { this.exportScale = 10; }JU.Logger.info ("__Exporter exportScale: " + this.exportScale); diff --git a/qmpy/web/static/js/jsmol/j2s/J/i18n/Resource.js b/qmpy/web/static/js/jsmol/j2s/J/i18n/Resource.js index 1e6eef91..ee034cc5 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/i18n/Resource.js +++ b/qmpy/web/static/js/jsmol/j2s/J/i18n/Resource.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("J.i18n"); -Clazz.load (null, "J.i18n.Resource", ["java.util.Hashtable", "JU.PT", "$.Rdr", "J.translation.PO", "JU.Logger", "JV.FileManager", "$.Viewer"], function () { +Clazz.load (null, "J.i18n.Resource", ["java.util.Hashtable", "JU.PT", "JU.Logger", "JV.Viewer"], function () { c$ = Clazz.decorateAsClass (function () { this.resource = null; this.resourceMap = null; @@ -13,24 +13,13 @@ if (className == null) this.resourceMap = resource; c$.getResource = Clazz.defineMethod (c$, "getResource", function (vwr, className, name) { var poData = null; -if (vwr != null && vwr.isApplet) { +if (vwr != null && (JV.Viewer.isJS || vwr.isApplet)) { var fname = JV.Viewer.appletIdiomaBase + "/" + name + ".po"; JU.Logger.info ("Loading language resource " + fname); poData = vwr.getFileAsString3 (fname, false, "gt"); } else { -try { -var br = JV.FileManager.getBufferedReaderForResource (vwr, new J.translation.PO (), "J/translation/", (className.indexOf ("Applet") >= 0 ? "JmolApplet/" : "Jmol/") + name + ".po"); -var data = new Array (1); -JU.Rdr.readAllAsString (br, 2147483647, false, data, 0); -poData = data[0]; -} catch (e) { -if (Clazz.exceptionOf (e, java.io.IOException)) { -return null; -} else { -throw e; -} -} -}return J.i18n.Resource.getResourceFromPO (poData); +{ +}}return J.i18n.Resource.getResourceFromPO (poData); }, "JV.Viewer,~S,~S"); Clazz.defineMethod (c$, "getString", function (string) { diff --git a/qmpy/web/static/js/jsmol/j2s/J/inchi/InChIJS.js b/qmpy/web/static/js/jsmol/j2s/J/inchi/InChIJS.js new file mode 100644 index 00000000..414156ad --- /dev/null +++ b/qmpy/web/static/js/jsmol/j2s/J/inchi/InChIJS.js @@ -0,0 +1,46 @@ +Clazz.declarePackage ("J.inchi"); +Clazz.load (["J.api.JmolInChI"], "J.inchi.InChIJS", ["JU.PT"], function () { +c$ = Clazz.declareType (J.inchi, "InChIJS", null, J.api.JmolInChI); +Clazz.makeConstructor (c$, +function () { +}); +Clazz.overrideMethod (c$, "getInchi", +function (vwr, atoms, molData, options) { +if (atoms == null ? molData == null : atoms.cardinality () == 0) return ""; +var ret = ""; +try { +if (options == null) options = ""; +options = JU.PT.rep (JU.PT.rep (options.$replace ('-', ' '), " ", " ").trim (), " ", " -").toLowerCase (); +if (options.length > 0) options = "-" + options; +if (molData == null) molData = vwr.getModelExtract (atoms, false, false, "MOL"); +if (molData.startsWith ("InChI=")) { +{ +ret = (Jmol.inchiToInchiKey ? Jmol.inchiToInchiKey(molData) : ""); +}} else { +var haveKey = (options.indexOf ("key") >= 0); +if (haveKey) { +options = options.$replace ("inchikey", "key"); +}{ +ret = (Jmol.molfileToInChI ? Jmol.molfileToInChI(molData, options) : ""); +}}} catch (e) { +{ +e = (e.getMessage$ ? e.getMessage$() : e); +}System.err.println ("InChIJS exception: " + e); +} +return ret; +}, "JV.Viewer,JU.BS,~S,~S"); +{ +var wasmPath = "/_WASM"; +var es6Path = "/_ES6"; +try { +{ +var j2sPath = Jmol._applets.master._j2sFullPath; +// +Jmol.inchiPath = j2sPath + wasmPath; +// +var importPath = j2sPath + es6Path; +// +import(importPath + "/molfile-to-inchi.js"); +}} catch (t) { +} +}}); diff --git a/qmpy/web/static/js/jsmol/j2s/J/io/FileReader.js b/qmpy/web/static/js/jsmol/j2s/J/io/FileReader.js index aeeae8d4..4968403d 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/io/FileReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/io/FileReader.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("J.io"); -Clazz.load (null, "J.io.FileReader", ["java.io.BufferedInputStream", "$.BufferedReader", "$.Reader", "javajs.api.GenericBinaryDocument", "$.ZInputStream", "JU.AU", "$.PT", "$.Rdr", "J.api.Interface", "JU.Logger"], function () { +Clazz.load (null, "J.io.FileReader", ["java.io.BufferedInputStream", "$.BufferedReader", "$.Reader", "java.util.zip.ZipInputStream", "javajs.api.GenericBinaryDocument", "JU.AU", "$.PT", "$.Rdr", "J.api.Interface", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.vwr = null; this.fileNameIn = null; @@ -45,7 +45,7 @@ this.atomSetCollection = errorMessage; return; }if (Clazz.instanceOf (t, java.io.BufferedReader)) { this.readerOrDocument = t; -} else if (Clazz.instanceOf (t, javajs.api.ZInputStream)) { +} else if (Clazz.instanceOf (t, java.util.zip.ZipInputStream)) { var name = this.fullPathNameIn; var subFileList = null; name = name.$replace ('\\', '/'); diff --git a/qmpy/web/static/js/jsmol/j2s/J/io/FilesReader.js b/qmpy/web/static/js/jsmol/j2s/J/io/FilesReader.js index 8a940235..b84c5de7 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/io/FilesReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/io/FilesReader.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("J.io"); -Clazz.load (["J.api.JmolFilesReaderInterface"], "J.io.FilesReader", ["java.io.BufferedInputStream", "$.BufferedReader", "javajs.api.GenericBinaryDocument", "JU.PT", "$.Rdr", "J.api.Interface", "J.io.FileReader", "JU.Logger"], function () { +Clazz.load (["J.api.JmolFilesReaderInterface"], "J.io.FilesReader", ["java.io.BufferedInputStream", "$.BufferedReader", "javajs.api.GenericBinaryDocument", "JU.Rdr", "J.api.Interface", "J.io.FileReader", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.fm = null; this.vwr = null; @@ -44,15 +44,9 @@ Clazz.overrideMethod (c$, "getBufferedReaderOrBinaryDocument", function (i, forceBinary) { if (this.dataReaders != null) return (forceBinary ? null : this.dataReaders[i].getBufferedReader ()); var name = this.fullPathNamesIn[i]; -var subFileList = null; -this.htParams.remove ("subFileList"); -if (name.indexOf ("|") >= 0 && !this.htParams.containsKey ("isStateScript")) { -subFileList = JU.PT.split (name, "|"); -name = subFileList[0]; -}if (name.contains ("#_DOCACHE_")) return J.io.FileReader.getChangeableReader (this.vwr, this.namesAsGivenIn[i], name); -var t = this.fm.getUnzippedReaderOrStreamFromName (name, null, true, forceBinary, false, true, this.htParams); +if (name.contains ("#_DOCACHE_")) return J.io.FileReader.getChangeableReader (this.vwr, this.namesAsGivenIn[i], name); +var t = this.fm.getUnzippedReaderOrStreamFromName (name, null, false, forceBinary, false, true, this.htParams); if (Clazz.instanceOf (t, java.io.BufferedInputStream) && JU.Rdr.isZipS (t)) { -if (subFileList != null) this.htParams.put ("subFileList", subFileList); var zipDirectory = this.fm.getZipDirectory (name, true, true); t = this.fm.getBufferedInputStreamOrErrorMessageFromName (name, this.fullPathNamesIn[i], false, false, null, false, true); t = this.fm.getJzu ().getAtomSetCollectionOrBufferedReaderFromZip (this.vwr, t, name, zipDirectory, this.htParams, 1, true); diff --git a/qmpy/web/static/js/jsmol/j2s/J/jsv/JDXMOLParser.js b/qmpy/web/static/js/jsmol/j2s/J/jsv/JDXMOLParser.js index 6ba50141..9ebec904 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jsv/JDXMOLParser.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jsv/JDXMOLParser.js @@ -282,7 +282,7 @@ this.loader.processModelData (sb.toString (), this.thisModelID, modelType, this. Clazz.defineMethod (c$, "findRecord", function (tag) { if (this.line == null) this.readLine (); -if (this.line.indexOf ("<" + tag) < 0) this.line = this.loader.discardLinesUntilContains2 ("<" + tag, "##"); +if (this.line != null && this.line.indexOf ("<" + tag) < 0) this.line = this.loader.discardLinesUntilContains2 ("<" + tag, "##"); return (this.line != null && this.line.indexOf ("<" + tag) >= 0); }, "~S"); Clazz.defineMethod (c$, "readLine", diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/JvxlCoder.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/JvxlCoder.js index 9be94788..2bd85236 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/JvxlCoder.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/JvxlCoder.js @@ -166,8 +166,11 @@ J.jvxl.data.JvxlCoder.addAttrib (attribs, "\n translucency", "" + jvxlData.tran if (jvxlData.meshColor != null) J.jvxl.data.JvxlCoder.addAttrib (attribs, "\n meshColor", jvxlData.meshColor); if (jvxlData.colorScheme != null) J.jvxl.data.JvxlCoder.addAttrib (attribs, "\n colorScheme", jvxlData.colorScheme); if (jvxlData.rendering != null) J.jvxl.data.JvxlCoder.addAttrib (attribs, "\n rendering", jvxlData.rendering); -if (jvxlData.thisSet >= 0) J.jvxl.data.JvxlCoder.addAttrib (attribs, "\n set", "" + (jvxlData.thisSet + 1)); -if (jvxlData.slabValue != -2147483648) J.jvxl.data.JvxlCoder.addAttrib (attribs, "\n slabValue", "" + jvxlData.slabValue); +if (jvxlData.thisSet != null) { +var s = J.jvxl.data.JvxlCoder.subsetString (jvxlData.thisSet); +if (s.startsWith ("[")) J.jvxl.data.JvxlCoder.addAttrib (attribs, "\n subset", s); + else J.jvxl.data.JvxlCoder.addAttrib (attribs, "\n set", s); +}if (jvxlData.slabValue != -2147483648) J.jvxl.data.JvxlCoder.addAttrib (attribs, "\n slabValue", "" + jvxlData.slabValue); if (jvxlData.isSlabbable) J.jvxl.data.JvxlCoder.addAttrib (attribs, "\n slabbable", "true"); if (jvxlData.nVertexColors > 0) J.jvxl.data.JvxlCoder.addAttrib (attribs, "\n nVertexColors", "" + jvxlData.nVertexColors); var min = (jvxlData.mappedDataMin == 3.4028235E38 ? 0 : jvxlData.mappedDataMin); @@ -199,6 +202,16 @@ JU.XmlUtil.openTagAttr (info, "jvxlSurfaceInfo", attribs.toArray ( new Array (at JU.XmlUtil.closeTag (info, "jvxlSurfaceInfo"); return info.toString (); }, "J.jvxl.data.JvxlData,~B"); +c$.subsetString = Clazz.defineMethod (c$, "subsetString", + function (bs) { +var n = bs.cardinality (); +if (n > 1) { +var a = "[ "; +for (var ia = bs.nextSetBit (0); ia >= 0; ia = bs.nextSetBit (ia)) a += (++ia) + " "; + +return a + "]"; +}return "" + (bs.nextSetBit (0) + 1); +}, "JU.BS"); c$.addAttrib = Clazz.defineMethod (c$, "addAttrib", function (attribs, name, value) { attribs.addLast ( Clazz.newArray (-1, [name, value])); diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/JvxlData.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/JvxlData.js index f04179bd..ddcf34dc 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/JvxlData.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/JvxlData.js @@ -4,6 +4,7 @@ c$ = Clazz.decorateAsClass (function () { this.msg = ""; this.wasJvxl = false; this.wasCubic = false; +this.jvxlFileSource = null; this.jvxlFileTitle = null; this.jvxlFileMessage = null; this.jvxlSurfaceData = null; @@ -17,7 +18,7 @@ this.jvxlDataIsColorMapped = false; this.jvxlDataIs2dContour = false; this.jvxlDataIsColorDensity = false; this.isColorReversed = false; -this.thisSet = -2147483648; +this.thisSet = null; this.edgeFractionBase = 35; this.edgeFractionRange = 90; this.colorFractionBase = 35; @@ -83,6 +84,7 @@ this.mapLattice = null; this.fixedLattice = null; this.baseColor = null; this.integration = NaN; +this.sbOut = null; Clazz.instantialize (this, arguments); }, J.jvxl.data, "JvxlData"); Clazz.prepareFields (c$, function () { @@ -117,7 +119,7 @@ this.nVertexColors = 0; this.fixedLattice = null; this.slabInfo = null; this.slabValue = -2147483648; -this.thisSet = -2147483648; +this.thisSet = null; this.rendering = null; this.thisContour = -1; this.translucency = 0; diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/MeshData.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/MeshData.js index a368f06c..a163160e 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/MeshData.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/data/MeshData.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("J.jvxl.data"); -Clazz.load (["JU.MeshSurface"], "J.jvxl.data.MeshData", ["java.lang.Float", "java.util.Arrays", "JU.AU", "$.BS", "$.V3"], function () { +Clazz.load (["JU.MeshSurface"], "J.jvxl.data.MeshData", ["java.lang.Float", "java.util.Arrays", "JU.AU", "$.BS", "$.V3", "JU.BSUtil"], function () { c$ = Clazz.decorateAsClass (function () { this.setsSuccessful = false; this.vertexIncrement = 1; @@ -132,7 +132,7 @@ return (val1 >= 0 && val2 >= 0 && val3 >= 0 || val1 <= 0 && val2 <= 0 && val3 <= c$.calculateVolumeOrArea = Clazz.defineMethod (c$, "calculateVolumeOrArea", function (m, thisSet, isArea, getSets) { if (getSets || m.nSets <= 0) m.getSurfaceSet (); -var justOne = (thisSet >= -1); +var justOne = (thisSet != null && thisSet.cardinality () == 1); var n = (justOne || m.nSets <= 0 ? 1 : m.nSets); var v = Clazz.newDoubleArray (n, 0); var vAB = new JU.V3 (); @@ -141,7 +141,7 @@ var vTemp = new JU.V3 (); for (var i = m.pc; --i >= 0; ) { if (m.setABC (i) == null) continue; var iSet = (m.nSets <= 0 ? 0 : m.vertexSets[m.iA]); -if (thisSet >= 0 && iSet != thisSet) continue; +if (thisSet != null && !thisSet.get (iSet)) continue; if (isArea) { vAB.sub2 (m.vs[m.iB], m.vs[m.iA]); vAC.sub2 (m.vs[m.iC], m.vs[m.iA]); @@ -158,8 +158,15 @@ var factor = (isArea ? 2 : 6); for (var i = 0; i < n; i++) v[i] /= factor; if (justOne) return Float.$valueOf (v[0]); -return v; -}, "J.jvxl.data.MeshData,~N,~B,~B"); +if (thisSet != null) { +thisSet.and (JU.BSUtil.newBitSet2 (0, v.length)); +var v1 = Clazz.newDoubleArray (thisSet.cardinality (), 0); +for (var pt = 0, i = thisSet.nextSetBit (0); i >= 0; i = thisSet.nextSetBit (i + 1)) { +v1[pt++] = v[i]; +} +v = v1; +}return v; +}, "J.jvxl.data.MeshData,JU.BS,~B,~B"); Clazz.defineMethod (c$, "updateInvalidatedVertices", function (bs) { bs.clearAll (); diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/BCifDensityReader.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/BCifDensityReader.js index 1dc26a8f..b73744af 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/BCifDensityReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/BCifDensityReader.js @@ -1,6 +1,7 @@ Clazz.declarePackage ("J.jvxl.readers"); Clazz.load (["J.jvxl.readers.MapFileReader"], "J.jvxl.readers.BCifDensityReader", ["java.io.BufferedInputStream", "$.ByteArrayInputStream", "java.lang.Float", "JU.AU", "$.BC", "$.MessagePackReader", "$.P3", "$.SB", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { +this.header = null; this.pt = 0; this.checkSum = 0; this.values = null; @@ -47,7 +48,8 @@ throw e; var dataBlocks = this.cifData.get ("dataBlocks"); for (var i = dataBlocks.length; --i >= 0; ) { var map = dataBlocks[i]; -if (type.equalsIgnoreCase (map.get ("header").toString ())) { +this.header = map.get ("header").toString (); +if ("EM".equals (this.header) || type.equalsIgnoreCase (this.header)) { var categories = map.get ("categories"); for (var j = categories.length; --j >= 0; ) { var cat = categories[j]; @@ -86,7 +88,7 @@ case 33: f = JU.BC.bytesToDoubleToFloat (data, 0, false); break; default: -System.out.println ("BCDensityReader: Number encoding not recognized: " + encoding); +System.out.println ("BCifDensityReader: Number encoding not recognized: " + encoding); break; } } catch (e) { @@ -175,8 +177,7 @@ var rmsDeviation = this.getCifFloat ("_volume_data_3d_info_sigma_sampled"); this.params.cutoff = rmsDeviation * sigma + this.dmean; JU.Logger.info ("Cutoff set to (mean + rmsDeviation*" + sigma + " = " + this.params.cutoff + ")\n"); }this.jvxlFileHeaderBuffer = new JU.SB (); -this.jvxlFileHeaderBuffer.append ("CifDensity reader\n"); -this.jvxlFileHeaderBuffer.append ("see http://www.ebi.ac.uk/pdbe/densities/x-ray/1cbs/dbox/\n"); +this.jvxlFileHeaderBuffer.append ("BCifDensity reader type=" + this.header + "\n"); }); Clazz.defineMethod (c$, "getXYZ", function (a, x) { diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoFxyReader.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoFxyReader.js index ba6a849c..c5d65acf 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoFxyReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoFxyReader.js @@ -25,7 +25,7 @@ this.isXLowToHigh = true; this.precalculateVoxelData = false; this.params.fullyLit = true; this.isPlanarMapping = (this.params.thePlane != null || this.params.state == 3); -if (this.params.func != null) this.volumeData.sr = this; +this.volumeData.sr = (this.params.func == null ? null : this); }, "J.jvxl.readers.SurfaceGenerator"); Clazz.overrideMethod (c$, "setup", function (isMapData) { @@ -69,12 +69,12 @@ return plane; }, "~N"); Clazz.defineMethod (c$, "setPlane", function (x, plane) { -for (var y = 0, ptyz = 0; y < this.nPointsY; ++y) for (var z = 0; z < this.nPointsZ; ++z) plane[ptyz++] = this.getValue (x, y, z); +for (var y = 0, ptyz = 0; y < this.nPointsY; ++y) for (var z = 0; z < this.nPointsZ; ++z) plane[ptyz++] = this.getValue (x, y, z, 0); }, "~N,~A"); -Clazz.defineMethod (c$, "getValue", -function (x, y, z) { +Clazz.overrideMethod (c$, "getValue", +function (x, y, z, pxyz) { var value; if (this.data == null) { value = this.evaluateValue (x, y, z); @@ -82,7 +82,7 @@ value = this.evaluateValue (x, y, z); this.volumeData.voxelPtToXYZ (x, y, z, this.ptTemp); value = this.data[x][y]; }return (this.isPlanarMapping ? value : value - this.ptTemp.z); -}, "~N,~N,~N"); +}, "~N,~N,~N,~N"); Clazz.overrideMethod (c$, "getValueAtPoint", function (pt, getSource) { if (this.params.func == null) return 0; diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoFxyzReader.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoFxyzReader.js index 5c8cfbe0..23da5952 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoFxyzReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoFxyzReader.js @@ -13,8 +13,8 @@ function (isMapData) { if (this.params.functionInfo.size () > 5) this.$data = this.params.functionInfo.get (5); this.setupType ("functionXYZ"); }, "~B"); -Clazz.defineMethod (c$, "getValue", -function (x, y, z) { +Clazz.overrideMethod (c$, "getValue", +function (x, y, z, xyz) { return (this.$data == null ? this.evaluateValue (x, y, z) : this.$data[x][y][z]); -}, "~N,~N,~N"); +}, "~N,~N,~N,~N"); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoMOReader.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoMOReader.js index 26418839..01b0af4c 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoMOReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoMOReader.js @@ -132,8 +132,8 @@ if (line.indexOf ("%S") >= 0) line = JU.PT.formatStringS (line, "S", mo != null if (line.indexOf ("%O") >= 0) { var obj = (mo == null ? null : mo.get ("occupancy")); var o = (obj == null ? 0 : obj.floatValue ()); -line = JU.PT.formatStringS (line, "O", obj != null && ++rep != 0 ? (o == Clazz.floatToInt (o) ? "" + Clazz.floatToInt (o) : JU.PT.formatF (o, 0, 4, false, false)) : ""); -}if (line.indexOf ("%T") >= 0) line = JU.PT.formatStringS (line, "T", mo != null && mo.containsKey ("type") && ++rep != 0 ? "" + mo.get ("type") : ""); +line = JU.PT.formatStringS (line, "O", obj != null && this.params.qm_moLinearCombination == null && ++rep != 0 ? (o == Clazz.floatToInt (o) ? "" + Clazz.floatToInt (o) : JU.PT.formatF (o, 0, 4, false, false)) : ""); +}if (line.indexOf ("%T") >= 0) line = JU.PT.formatStringS (line, "T", mo != null && mo.containsKey ("type") ? (this.params.qm_moLinearCombination == null && ++rep != 0 ? "" + mo.get ("type") : "") + ((this.params.isSquared || this.params.isSquaredLinear) && ++rep != 0 ? " ^2" : "") : ""); if (line.equals ("string")) { this.params.title[iLine] = ""; return; diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoSolventReader.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoSolventReader.js index fa937ebe..e86f823d 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoSolventReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/IsoSolventReader.js @@ -88,7 +88,9 @@ this.getAtoms (this.params.bsSelected, this.doAddHydrogens, true, false, false, if (this.isCavity || this.isPocket) this.dots = this.meshDataServer.calculateGeodesicSurface (this.bsMySelected, this.envelopeRadius); this.setHeader ("solvent/molecular surface", this.params.calculationType); if (this.havePlane || !isMapData) { -var minPtsPerAng = 0; +var r = Math.max (this.params.solventExtendedAtomRadius, this.params.solventRadius); +var minPtsPerAng = (r >= 1 ? 1.5 / r : 0); +if (minPtsPerAng > 0) System.out.println ("IsoSolventReader.minPtsPerAng=" + minPtsPerAng); this.setRanges (this.params.solvent_ptsPerAngstrom, this.params.solvent_gridMax, minPtsPerAng); this.volumeData.getYzCount (); this.margin = this.volumeData.maxGrid * 2.0; @@ -184,7 +186,7 @@ if (this.doCalculateTroughs && this.bsSurfacePoints != null) { var bsAll = new JU.BS (); var bsSurfaces = this.meshData.getSurfaceSet (); var bsSources = null; -var volumes = (this.isPocket ? null : J.jvxl.data.MeshData.calculateVolumeOrArea (this.meshData, -2147483648, false, false)); +var volumes = (this.isPocket ? null : J.jvxl.data.MeshData.calculateVolumeOrArea (this.meshData, null, false, false)); var minVolume = (this.isCavity ? (1.5 * 3.141592653589793 * Math.pow (this.sr, 3)) : 0); var maxVolume = 0; var maxIsNegative = false; diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/JvxlXmlReader.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/JvxlXmlReader.js index 9c891704..3e0e5b53 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/JvxlXmlReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/JvxlXmlReader.js @@ -90,7 +90,7 @@ return true; }, "~B"); Clazz.overrideMethod (c$, "readParameters", function () { -var s = this.xr.getXmlData ("jvxlFileTitle", null, false, false); +var s = this.xr.getXmlDataLF ("jvxlFileTitle", null, false, false, true); this.jvxlFileHeaderBuffer = JU.SB.newS (s == null ? "" : s); this.xr.toTag ("jvxlVolumeData"); var data = this.tempDataXml = this.xr.getXmlData ("jvxlVolumeData", null, true, false); @@ -225,10 +225,20 @@ s = J.jvxl.readers.XmlReader.getXmlAttrib (data, "rendering"); if (s.length > 0) this.jvxlData.rendering = s; this.jvxlData.colorScheme = J.jvxl.readers.XmlReader.getXmlAttrib (data, "colorScheme"); if (this.jvxlData.colorScheme.length == 0) this.jvxlData.colorScheme = (this.jvxlDataIsColorMapped ? "roygb" : null); -if (this.jvxlData.thisSet < 0) { +if (this.jvxlData.thisSet == null) { var n = this.parseIntStr (J.jvxl.readers.XmlReader.getXmlAttrib (data, "set")); -if (n > 0) this.jvxlData.thisSet = n - 1; -}this.jvxlData.slabValue = this.parseIntStr (J.jvxl.readers.XmlReader.getXmlAttrib (data, "slabValue")); +if (n > 0) { +this.jvxlData.thisSet = new JU.BS (); +this.jvxlData.thisSet.set (n - 1); +}var a = J.jvxl.readers.XmlReader.getXmlAttrib (data, "subset"); +if (a != null && a.length > 2) { +var sets = a.$replace ('[', ' ').$replace (']', ' ').trim ().$plit (" "); +if (sets.length > 0) { +this.jvxlData.thisSet = new JU.BS (); +for (var i = sets.length; --i >= 0; ) { +this.jvxlData.thisSet.set (JU.PT.parseInt (sets[i]) - 1); +} +}}}this.jvxlData.slabValue = this.parseIntStr (J.jvxl.readers.XmlReader.getXmlAttrib (data, "slabValue")); this.jvxlData.isSlabbable = (J.jvxl.readers.XmlReader.getXmlAttrib (data, "slabbable").equalsIgnoreCase ("true")); this.jvxlData.diameter = this.parseIntStr (J.jvxl.readers.XmlReader.getXmlAttrib (data, "diameter")); if (this.jvxlData.diameter == -2147483648) this.jvxlData.diameter = 0; diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/MrcBinaryReader.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/MrcBinaryReader.js index b8f91b5c..499f1f4b 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/MrcBinaryReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/MrcBinaryReader.js @@ -114,14 +114,16 @@ break; } JU.Logger.info ("MRC header: bytes read: " + this.binarydoc.getPosition () + "\n"); this.getVectorsAndOrigin (); +this.jvxlFileHeaderBuffer = new JU.SB (); +this.jvxlFileHeaderBuffer.append ("MRC DATA ").append (nlabel > 0 ? this.labels[0] : "").append ("\n"); +this.jvxlFileHeaderBuffer.append ("see http://ami.scripps.edu/software/mrctools/mrc_specification.php\n"); if (this.params.thePlane == null && (this.params.cutoffAutomatic || !Float.isNaN (this.params.sigma))) { var sigma = (this.params.sigma < 0 || Float.isNaN (this.params.sigma) ? 1 : this.params.sigma); this.params.cutoff = rmsDeviation * sigma + this.dmean; -JU.Logger.info ("Cutoff set to (mean + rmsDeviation*" + sigma + " = " + this.params.cutoff + ")\n"); -}this.jvxlFileHeaderBuffer = new JU.SB (); -this.jvxlFileHeaderBuffer.append ("MRC DATA ").append (nlabel > 0 ? this.labels[0] : "").append ("\n"); -this.jvxlFileHeaderBuffer.append ("see http://ami.scripps.edu/software/mrctools/mrc_specification.php\n"); -}); +s = "cutoff set to " + this.params.cutoff + " (mean + rmsDeviation*sigma = " + this.dmean + " + " + rmsDeviation + "*" + sigma + ")"; +JU.Logger.info (s); +this.jvxlFileHeaderBuffer.append (s + "\n"); +}}); Clazz.overrideMethod (c$, "nextVoxel", function () { var voxelValue; diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/Parameters.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/Parameters.js index 35f47536..013f438f 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/Parameters.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/Parameters.js @@ -144,9 +144,12 @@ this.extendGrid = 0; this.isMapped = false; this.showTiming = false; this.pointSize = 0; +this.probes = null; this.isModelConnected = false; this.surfaceAtoms = null; this.filesData = null; +this.probeValues = null; +this.sbOut = null; Clazz.instantialize (this, arguments); }, J.jvxl.readers, "Parameters"); Clazz.prepareFields (c$, function () { @@ -217,6 +220,8 @@ this.modelInvRotation = null; this.nContours = 0; this.pocket = null; this.pointSize = NaN; +this.probes = null; +this.probeValues = null; this.propertyDistanceMax = 2147483647; this.propertySmoothing = false; this.propertySmoothingPower = 4; @@ -375,12 +380,15 @@ this.calculationType = "unmapped plane"; break; case 1203: this.calculationType = "molecular surface with radius " + this.solventRadius; +if (this.minSet == 0) this.minSet = 50; break; case 1195: this.calculationType = "solvent-excluded surface with radius " + this.solventRadius; +if (this.minSet == 0) this.minSet = 50; break; case 1196: this.calculationType = "solvent-accessible surface with radius " + this.solventRadius; +if (this.minSet == 0) this.minSet = 50; break; } switch (this.dataType) { diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/SurfaceGenerator.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/SurfaceGenerator.js index ee822390..2aa3a870 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/SurfaceGenerator.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/SurfaceGenerator.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("J.jvxl.readers"); -Clazz.load (["JU.P3", "$.V3"], "J.jvxl.readers.SurfaceGenerator", ["java.lang.Float", "java.util.Map", "JU.AU", "$.BS", "$.Measure", "$.P4", "$.PT", "$.Rdr", "J.jvxl.data.JvxlCoder", "$.JvxlData", "$.MeshData", "$.VolumeData", "J.jvxl.readers.Parameters", "$.SurfaceReader", "JU.Logger", "JV.FileManager"], function () { +Clazz.load (["JU.P3", "$.V3"], "J.jvxl.readers.SurfaceGenerator", ["java.lang.Float", "java.util.Map", "JU.AU", "$.BS", "$.Measure", "$.P4", "$.PT", "$.Rdr", "$.SB", "J.jvxl.data.JvxlCoder", "$.JvxlData", "$.MeshData", "$.VolumeData", "J.jvxl.readers.Parameters", "$.SurfaceReader", "JU.Logger", "JV.FileManager"], function () { c$ = Clazz.decorateAsClass (function () { this.params = null; this.jvxlData = null; @@ -579,6 +579,8 @@ Clazz.defineMethod (c$, "generateSurface", function () { if (++this.params.state != 2) return; this.setReader (); +if (this.params.sbOut == null) this.params.sbOut = new JU.SB (); +this.jvxlData.sbOut = this.params.sbOut; var haveMeshDataServer = (this.meshDataServer != null); if (this.params.colorBySign) this.params.isBicolorMap = true; if (this.surfaceReader == null) { @@ -589,12 +591,16 @@ JU.Logger.error ("Could not create isosurface"); this.params.cutoff = NaN; this.surfaceReader.closeReader (); return; +}if (this.params.probes != null) { +for (var i = this.params.probeValues.length; --i >= 0; ) { +this.params.probeValues[i] = this.surfaceReader.getValueAtPoint (this.params.probes[i], false); +} }if (this.params.pocket != null && haveMeshDataServer) this.surfaceReader.selectPocket (!this.params.pocket.booleanValue ()); if (this.params.minSet > 0) this.surfaceReader.excludeMinimumSet (); if (this.params.maxSet > 0) this.surfaceReader.excludeMaximumSet (); if (this.params.slabInfo != null) this.surfaceReader.slabIsosurface (this.params.slabInfo); if (haveMeshDataServer && this.meshDataServer.notifySurfaceGenerationCompleted ()) this.surfaceReader.hasColorData = false; -if (this.jvxlData.thisSet >= 0) this.getSurfaceSets (); +if (this.jvxlData.thisSet != null) this.getSurfaceSets (); if (this.jvxlData.jvxlDataIs2dContour) { this.surfaceReader.colorIsosurface (); this.params.state = 3; diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/SurfaceReader.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/SurfaceReader.js index 123616c3..b82c59fb 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/SurfaceReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/SurfaceReader.js @@ -153,10 +153,13 @@ if (!this.readVolumeData (false)) return false; this.generateSurfaceData (); }if (this.jvxlFileHeaderBuffer == null) { this.jvxlData.jvxlFileTitle = ""; +this.jvxlData.jvxlFileSource = null; +this.jvxlData.jvxlFileMessage = null; } else { var s = this.jvxlFileHeaderBuffer.toString (); var i = s.indexOf ('\n', s.indexOf ('\n', s.indexOf ('\n') + 1) + 1) + 1; this.jvxlData.jvxlFileTitle = s.substring (0, i); +this.jvxlData.jvxlFileSource = this.params.fileName; }if (this.params.contactPair == null) this.setBBoxAll (); this.jvxlData.isValid = (this.xyzMin.x != 3.4028235E38); if (!this.params.isSilent) { diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/VolumeDataReader.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/VolumeDataReader.js index aa8f0e57..8495a23d 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/VolumeDataReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/VolumeDataReader.js @@ -113,8 +113,10 @@ min = -10; max = 10; }var range = max - min; var resolution = this.params.resolution; -if (resolution != 3.4028235E38) ptsPerAngstrom = resolution; -nGrid = Clazz.doubleToInt (Math.floor (range * ptsPerAngstrom)) + 1; +if (resolution != 3.4028235E38) { +ptsPerAngstrom = resolution; +minPointsPerAngstrom = 0; +}nGrid = Clazz.doubleToInt (Math.floor (range * ptsPerAngstrom)) + 1; if (nGrid > gridMax) { if ((this.dataType & 256) > 0) { if (resolution == 3.4028235E38) { @@ -132,7 +134,7 @@ nGrid = Clazz.doubleToInt (Math.floor (ptsPerAngstrom * range + 1)); ptsPerAngstrom = (nGrid - 1) / range; }d = this.volumeData.volumetricVectorLengths[index] = 1 / ptsPerAngstrom; this.voxelCounts[index] = nGrid; -if (!this.isQuiet) JU.Logger.info ("isosurface resolution for axis " + (index + 1) + " set to " + ptsPerAngstrom + " points/Angstrom; " + this.voxelCounts[index] + " voxels"); +if (this.params.sbOut != null) this.params.sbOut.append ("isosurface resolution for axis " + (index + 1) + " set to " + ptsPerAngstrom + " points/Angstrom; " + this.voxelCounts[index] + " voxels\n"); switch (index) { case 0: this.volumetricVectors[0].set (d, 0, 0); @@ -147,6 +149,7 @@ this.volumetricVectors[2].set (0, 0, d); this.volumetricOrigin.z = min; if (this.isEccentric) this.eccentricityMatrix.rotate (this.volumetricOrigin); if (this.center != null && !Float.isNaN (this.center.x)) this.volumetricOrigin.add (this.center); +if (this.params.sbOut != null) this.params.sbOut.append ((this.voxelCounts[0] * this.voxelCounts[1] * this.voxelCounts[2]) + " voxels total\n"); } if (this.isEccentric) this.eccentricityMatrix.rotate (this.volumetricVectors[index]); return this.voxelCounts[index]; diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/VolumeFileReader.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/VolumeFileReader.js index 27f62b5f..d9b99a6e 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/VolumeFileReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/VolumeFileReader.js @@ -103,7 +103,6 @@ JU.Logger.info ("downsampling axis " + (i + 1) + " from " + n + " to " + this.vo }if (!this.vertexDataOnly) for (var i = 0; i < 3; ++i) { if (!this.isAngstroms) this.volumetricVectors[i].scale (0.5291772); this.line = this.voxelCounts[i] + " " + this.volumetricVectors[i].x + " " + this.volumetricVectors[i].y + " " + this.volumetricVectors[i].z; -this.jvxlFileHeaderBuffer.append (this.line).appendC ('\n'); JU.Logger.info ("voxel grid count/vector:" + this.line); } this.scaleIsosurface (this.params.scale); diff --git a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/XmlReader.js b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/XmlReader.js index a3cb2960..cbc8f6bb 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/XmlReader.js +++ b/qmpy/web/static/js/jsmol/j2s/J/jvxl/readers/XmlReader.js @@ -29,6 +29,10 @@ this.skipTo (""); }, "~S"); Clazz.defineMethod (c$, "getXmlData", function (name, data, withTag, allowSelfCloseOption) { +return this.getXmlDataLF (name, data, withTag, allowSelfCloseOption, false); +}, "~S,~S,~B,~B"); +Clazz.defineMethod (c$, "getXmlDataLF", +function (name, data, withTag, allowSelfCloseOption, addLF) { var closer = ""; var tag = "<" + name; if (data == null) { @@ -46,15 +50,18 @@ throw e; } } sb.append (this.line); +if (addLF) sb.append ("\n"); var selfClosed = false; var pt = this.line.indexOf ("/>"); var pt1 = this.line.indexOf (">"); if (pt1 < 0 || pt == pt1 - 1) selfClosed = allowSelfCloseOption; -while (this.line.indexOf (closer) < 0 && (!selfClosed || this.line.indexOf ("/>") < 0)) sb.append (this.line = this.br.readLine ()); - +while (this.line.indexOf (closer) < 0 && (!selfClosed || this.line.indexOf ("/>") < 0)) { +sb.append (this.line = this.br.readLine ()); +if (addLF) sb.append ("\n"); +} data = sb.toString (); }return J.jvxl.readers.XmlReader.extractTag (data, tag, closer, withTag); -}, "~S,~S,~B,~B"); +}, "~S,~S,~B,~B,~B"); c$.extractTagOnly = Clazz.defineMethod (c$, "extractTagOnly", function (data, tag) { return J.jvxl.readers.XmlReader.extractTag (data, "<" + tag + ">", "", false); diff --git a/qmpy/web/static/js/jsmol/j2s/J/modelkit/ModelKitPopup.js b/qmpy/web/static/js/jsmol/j2s/J/modelkit/ModelKitPopup.js index c04f04cf..2fa17f94 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/modelkit/ModelKitPopup.js +++ b/qmpy/web/static/js/jsmol/j2s/J/modelkit/ModelKitPopup.js @@ -1,6 +1,8 @@ Clazz.declarePackage ("J.modelkit"); -Clazz.load (["J.popup.JmolGenericPopup", "java.util.Hashtable", "JU.BS", "$.P3", "J.i18n.GT", "J.modelkit.ModelKitPopupResourceBundle"], "J.modelkit.ModelKitPopup", ["java.lang.Boolean", "$.Float", "JU.PT", "$.SB", "$.V3", "JM.Atom", "JU.BSUtil", "$.Edge", "$.Elements", "$.Logger"], function () { +Clazz.load (["J.popup.JmolGenericPopup", "java.util.Hashtable", "JU.BS", "$.P3", "J.i18n.GT", "J.modelkit.ModelKitPopupResourceBundle"], "J.modelkit.ModelKitPopup", ["java.lang.Boolean", "$.Float", "JU.AU", "$.Lst", "$.PT", "$.SB", "$.V3", "JM.Atom", "JU.BSUtil", "$.Edge", "$.Elements", "$.Escape", "$.Logger"], function () { c$ = Clazz.decorateAsClass (function () { +this.allowPopup = true; +this.hidden = false; this.hasUnitCell = false; this.allOperators = null; this.currentModelIndex = -1; @@ -11,6 +13,7 @@ this.xtalHoverLabel = null; this.activeMenu = null; this.lastModelSet = null; this.pickAtomAssignType = "C"; +this.lastElementType = "C"; this.pickBondAssignType = "p"; this.$isPickAtomAssignCharge = false; this.bsHighlight = null; @@ -25,6 +28,7 @@ this.mkdata = null; this.showSymopInfo = true; this.addXtalHydrogens = true; this.clickToSetElement = true; +this.autoBond = false; this.centerPoint = null; this.spherePoint = null; this.viewOffset = null; @@ -36,10 +40,13 @@ this.atomIndexSphere = -1; this.drawData = null; this.drawScript = null; this.iatom0 = 0; -this.state = 0; -this.rotationDeg = 0; +this.bondRotationCheckBox = null; +this.prevBondCheckBox = null; +this.bondRotationName = ".modelkitMenu.bondMenu.rotateBondP!RD"; this.lastCenter = "0 0 0"; this.lastOffset = "0 0 0"; +this.state = 0; +this.rotationDeg = 0; Clazz.instantialize (this, arguments); }, J.modelkit, "ModelKitPopup", J.popup.JmolGenericPopup); Clazz.prepareFields (c$, function () { @@ -47,6 +54,10 @@ this.bsHighlight = new JU.BS (); this.screenXY = Clazz.newIntArray (2, 0); this.mkdata = new java.util.Hashtable (); }); +Clazz.defineMethod (c$, "isHidden", +function () { +return this.hidden; +}); Clazz.makeConstructor (c$, function () { Clazz.superConstructor (this, J.modelkit.ModelKitPopup, []); @@ -72,41 +83,36 @@ this.hasUnitCell = (this.vwr.getCurrentUnitCell () != null); this.symop = null; this.setDefaultState (this.hasUnitCell ? 1 : 0); }); +Clazz.defineMethod (c$, "jpiShow", +function (x, y) { +if (!this.hidden && this.allowPopup) Clazz.superCall (this, J.modelkit.ModelKitPopup, "jpiShow", [x, y]); +}, "~N,~N"); Clazz.overrideMethod (c$, "jpiUpdateComputedMenus", function () { this.hasUnitCell = (this.vwr.getCurrentUnitCell () != null); -if (!this.checkUpdateSymmetryInfo ()) this.updateAllXtalMenus (); -}); -Clazz.overrideMethod (c$, "appUpdateForShow", -function () { -this.updateAllXtalMenuOptions (); -}); -Clazz.defineMethod (c$, "checkUpdateSymmetryInfo", - function () { this.htMenus.get ("xtalMenu").setEnabled (this.hasUnitCell); var isOK = true; if (this.vwr.ms !== this.lastModelSet) { this.lastModelSet = this.vwr.ms; isOK = false; -} else if (this.currentModelIndex == -1 || this.currentModelIndex != this.vwr.am.cmi) { -isOK = false; }this.currentModelIndex = Math.max (this.vwr.am.cmi, 0); this.iatom0 = this.vwr.ms.am[this.currentModelIndex].firstAtomIndex; if (!isOK) { this.allOperators = null; -}return isOK; -}); -Clazz.defineMethod (c$, "updateAllXtalMenus", - function () { this.updateOperatorMenu (); -this.updateAllXtalMenuOptions (); +}this.updateAllXtalMenuOptions (); +}); +Clazz.overrideMethod (c$, "appUpdateForShow", +function () { +this.jpiUpdateComputedMenus (); }); Clazz.defineMethod (c$, "updateOperatorMenu", - function () { +function () { if (this.allOperators != null) return; var data = this.runScriptBuffered ("show symop"); this.allOperators = JU.PT.split (data.trim ().$replace ('\t', ' '), "\n"); -this.addAllCheckboxItems (this.htMenus.get ("xtalOp!PersistMenu"), this.allOperators); +var menu = this.htMenus.get ("xtalOp!PersistMenu"); +if (menu != null) this.addAllCheckboxItems (menu, this.allOperators); }); Clazz.defineMethod (c$, "addAllCheckboxItems", function (menu, labels) { @@ -126,7 +132,7 @@ this.menuEnable (this.menuCreateItem (subMenu, sym, sym, subMenu.getName () + ". } }, "J.api.SC,~A"); Clazz.defineMethod (c$, "updateAllXtalMenuOptions", - function () { +function () { var text = ""; switch (this.getMKState ()) { case 0: @@ -184,18 +190,27 @@ if (active != null) { this.activeMenu = active; if ((active === "xtalMenu") == (this.getMKState () == 0)) this.setMKState (active === "xtalMenu" ? 1 : 0); this.vwr.refresh (1, "modelkit"); +if (active === "bondMenu" && this.prevBondCheckBox == null) this.prevBondCheckBox = this.htMenus.get ("assignBond_pP!RD"); }return active; }, "~S"); Clazz.overrideMethod (c$, "appUpdateSpecialCheckBoxValue", function (source, actionCommand, selected) { +if (!selected) return; var name = source.getName (); if (!this.updatingForShow && this.setActiveMenu (name) != null) { +this.exitBondRotation (); var text = source.getText (); -if (name.indexOf ("Bond") >= 0) { +if (this.activeMenu === "bondMenu") { this.bondHoverLabel = text; -} else if (name.indexOf ("assignAtom") >= 0) this.atomHoverLabel = text; - else if (this.activeMenu === "xtalMenu") this.xtalHoverLabel = this.atomHoverLabel = text; -}}, "J.api.SC,~S,~B"); +if (name.equals (this.bondRotationName)) { +this.bondRotationCheckBox = source; +} else { +this.prevBondCheckBox = source; +}} else if (this.activeMenu === "atomMenu") { +this.atomHoverLabel = text; +} else if (this.activeMenu === "xtalMenu") { +this.xtalHoverLabel = this.atomHoverLabel = text; +}}}, "J.api.SC,~S,~B"); Clazz.defineMethod (c$, "isXtalState", function () { return ((this.state & 3) != 0); @@ -244,9 +259,25 @@ return this.setProperty (key, value); }, "~O"); Clazz.defineMethod (c$, "setProperty", function (name, value) { +try { name = name.toLowerCase ().intern (); -if (name === "isMolecular") { +if (name === "addhydrogen" || name === "addhydrogens") { +if (value != null) this.addXtalHydrogens = J.modelkit.ModelKitPopup.isTrue (value); +return Boolean.$valueOf (this.addXtalHydrogens); +}if (name === "autobond") { +if (value != null) this.autoBond = J.modelkit.ModelKitPopup.isTrue (value); +return Boolean.$valueOf (this.autoBond); +}if (name === "clicktosetelement") { +if (value != null) this.clickToSetElement = J.modelkit.ModelKitPopup.isTrue (value); +return Boolean.$valueOf (this.clickToSetElement); +}if (name === "hidden") { +if (value != null) this.hidden = J.modelkit.ModelKitPopup.isTrue (value); +return Boolean.$valueOf (this.hidden); +}if (name === "ismolecular") { return Boolean.$valueOf (this.getMKState () == 0); +}if (name === "showsymopinfo") { +if (value != null) this.showSymopInfo = J.modelkit.ModelKitPopup.isTrue (value); +return Boolean.$valueOf (this.showSymopInfo); }if (name === "hoverlabel") { return this.getHoverLabel ((value).intValue ()); }if (name === "alloperators") { @@ -257,67 +288,20 @@ return this.getData (value == null ? null : value.toString ()); var iatom = (Clazz.instanceOf (value, JU.BS) ? (value).nextSetBit (0) : -1); var atom = this.vwr.ms.getAtom (iatom); if (atom == null) return null; -return this.vwr.getSymmetryInfo (iatom, null, -1, atom, atom, 1275068418, null, 0, 0, 0); -}if (name === "assignatom") { -var o = (value); -var type = o[0]; -var data = o[1]; -var atomIndex = data[0]; -if (this.isVwrRotateBond ()) { -this.bondAtomIndex1 = atomIndex; -} else if (!this.processAtomClick (data[0]) && (this.clickToSetElement || this.vwr.ms.getAtom (atomIndex).getElementNumber () == 1)) this.assignAtom (atomIndex, type, data[1] >= 0, data[2] >= 0); -return null; -}if (name === "bondatomindex") { -var i = (value).intValue (); -if (i != this.bondAtomIndex2) this.bondAtomIndex1 = i; -this.bsRotateBranch = null; -return null; -}if (name === "highlight") { -if (value == null) this.bsHighlight = new JU.BS (); - else this.bsHighlight = value; -return null; -}if (name === "mode") { -var isEdit = ("edit".equals (value)); -this.setMKState ("view".equals (value) ? 1 : isEdit ? 2 : 0); -if (isEdit) this.addXtalHydrogens = false; -return null; -}if (name === "symmetry") { -this.setDefaultState (2); -name = (value).toLowerCase ().intern (); -this.setSymEdit (name === "applylocal" ? 32 : name === "retainlocal" ? 64 : name === "applyfull" ? 128 : 0); -this.showXtalSymmetry (); -return null; -}if (name === "unitcell") { -var isPacked = "packed".equals (value); -this.setUnitCell (isPacked ? 0 : 256); -this.viewOffset = (isPacked ? J.modelkit.ModelKitPopup.Pt000 : null); -return null; +return this.vwr.getSymmetryInfo (iatom, null, -1, null, atom, atom, 1275068418, null, 0, 0, 0); }if (name === "symop") { this.setDefaultState (1); if (value != null) { this.symop = value; this.showSymop (this.symop); }return this.symop; -}if (name === "center") { -this.setDefaultState (1); -var centerAtom = value; -this.lastCenter = centerAtom.x + " " + centerAtom.y + " " + centerAtom.z; -this.centerAtomIndex = (Clazz.instanceOf (centerAtom, JM.Atom) ? (centerAtom).i : -1); -this.atomIndexSphere = -1; -this.secondAtomIndex = -1; -this.processAtomClick (this.centerAtomIndex); -return null; -}if (name === "scriptassignbond") { -this.appRunScript ("assign bond [{" + value + "}] \"" + this.pickBondAssignType + "\""); -return null; -}if (name === "assignbond") { -var data = value; -return this.assignBond (data[0], data[1]); }if (name === "atomtype") { if (value != null) { this.pickAtomAssignType = value; this.$isPickAtomAssignCharge = (this.pickAtomAssignType.equals ("pl") || this.pickAtomAssignType.equals ("mi")); -}return this.pickAtomAssignType; +if (!this.$isPickAtomAssignCharge && !"X".equals (this.pickAtomAssignType)) { +this.lastElementType = this.pickAtomAssignType; +}}return this.pickAtomAssignType; }if (name === "bondtype") { if (value != null) { this.pickBondAssignType = (value).substring (0, 1).toLowerCase (); @@ -330,15 +314,6 @@ this.setBondIndex ((value).intValue (), false); if (value != null) { this.setBondIndex ((value).intValue (), true); }return (this.bondIndex < 0 ? null : Integer.$valueOf (this.bondIndex)); -}if (name === "addhydrogen" || name === "addhydrogens") { -if (value != null) this.addXtalHydrogens = J.modelkit.ModelKitPopup.isTrue (value); -return Boolean.$valueOf (this.addXtalHydrogens); -}if (name === "clicktosetelement") { -if (value != null) this.clickToSetElement = J.modelkit.ModelKitPopup.isTrue (value); -return Boolean.$valueOf (this.clickToSetElement); -}if (name === "showsymopinfo") { -if (value != null) this.showSymopInfo = J.modelkit.ModelKitPopup.isTrue (value); -return Boolean.$valueOf (this.showSymopInfo); }if (name === "offset") { if (value === "none") { this.viewOffset = null; @@ -365,6 +340,43 @@ this.atomIndexSphere = (Clazz.instanceOf (this.spherePoint, JM.Atom) ? (this.sph if (value != null) { this.screenXY = value; }return this.screenXY; +}if (name === "bondatomindex") { +var i = (value).intValue (); +if (i != this.bondAtomIndex2) this.bondAtomIndex1 = i; +this.bsRotateBranch = null; +return null; +}if (name === "highlight") { +if (value == null) this.bsHighlight = new JU.BS (); + else this.bsHighlight = value; +return null; +}if (name === "mode") { +var isEdit = ("edit".equals (value)); +this.setMKState ("view".equals (value) ? 1 : isEdit ? 2 : 0); +if (isEdit) this.addXtalHydrogens = false; +return null; +}if (name === "symmetry") { +this.setDefaultState (2); +name = (value).toLowerCase ().intern (); +this.setSymEdit (name === "applylocal" ? 32 : name === "retainlocal" ? 64 : name === "applyfull" ? 128 : 0); +this.showXtalSymmetry (); +return null; +}if (name === "unitcell") { +var isPacked = "packed".equals (value); +this.setUnitCell (isPacked ? 0 : 256); +this.viewOffset = (isPacked ? J.modelkit.ModelKitPopup.Pt000 : null); +return null; +}if (name === "center") { +this.setDefaultState (1); +this.centerPoint = value; +this.lastCenter = this.centerPoint.x + " " + this.centerPoint.y + " " + this.centerPoint.z; +this.centerAtomIndex = (Clazz.instanceOf (this.centerPoint, JM.Atom) ? (this.centerPoint).i : -1); +this.atomIndexSphere = -1; +this.secondAtomIndex = -1; +this.processAtomClick (this.centerAtomIndex); +return null; +}if (name === "scriptassignbond") { +this.appRunScript ("modelkit assign bond [{" + value + "}] \"" + this.pickBondAssignType + "\""); +return null; }if (name === "addconstraint") { J.modelkit.ModelKitPopup.notImplemented ("setProperty: addConstraint"); }if (name === "removeconstraint") { @@ -372,6 +384,13 @@ J.modelkit.ModelKitPopup.notImplemented ("setProperty: removeConstraint"); }if (name === "removeallconstraints") { J.modelkit.ModelKitPopup.notImplemented ("setProperty: removeAllConstraints"); }System.err.println ("ModelKitPopup.setProperty? " + name + " " + value); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +return "?"; +} else { +throw e; +} +} return null; }, "~S,~O"); c$.isTrue = Clazz.defineMethod (c$, "isTrue", @@ -380,6 +399,11 @@ return (Boolean.$valueOf (value.toString ()) === Boolean.TRUE); }, "~O"); Clazz.defineMethod (c$, "getData", function (key) { +this.addData ("addHydrogens", Boolean.$valueOf (this.addXtalHydrogens)); +this.addData ("autobond", Boolean.$valueOf (this.autoBond)); +this.addData ("clickToSetElement", Boolean.$valueOf (this.clickToSetElement)); +this.addData ("hidden", Boolean.$valueOf (this.hidden)); +this.addData ("showSymopInfo", Boolean.$valueOf (this.showSymopInfo)); this.addData ("centerPoint", this.centerPoint); this.addData ("centerAtomIndex", Integer.$valueOf (this.centerAtomIndex)); this.addData ("secondAtomIndex", Integer.$valueOf (this.secondAtomIndex)); @@ -387,6 +411,7 @@ this.addData ("symop", this.symop); this.addData ("offset", this.viewOffset); this.addData ("drawData", this.drawData); this.addData ("drawScript", this.drawScript); +this.addData ("isMolecular", Boolean.$valueOf (this.getMKState () == 0)); return this.mkdata; }, "~S"); Clazz.defineMethod (c$, "addData", @@ -414,9 +439,7 @@ return false; Clazz.defineMethod (c$, "getHoverLabel", function (atomIndex) { var state = this.getMKState (); -if (state != 1 && atomIndex >= 0 && !this.vwr.ms.isAtomInLastModel (atomIndex)) { -return "Only atoms in the last model may be edited."; -}var msg = null; +var msg = null; switch (state) { case 1: if (this.symop == null) this.symop = Integer.$valueOf (1); @@ -447,8 +470,14 @@ switch (this.bsHighlight.cardinality ()) { case 0: this.vwr.highlight (JU.BSUtil.newAndSetBit (atomIndex)); case 1: +if (!this.isRotateBond) this.setActiveMenu ("atomMenu"); +if (this.atomHoverLabel.indexOf ("charge") >= 0) { +var ch = this.vwr.ms.at[atomIndex].getFormalCharge (); +ch += (this.atomHoverLabel.indexOf ("increase") >= 0 ? 1 : -1); +msg = this.atomHoverLabel + " to " + (ch > 0 ? "+" : "") + ch; +} else { msg = this.atomHoverLabel; -break; +}break; case 2: msg = this.bondHoverLabel; break; @@ -524,27 +553,34 @@ break; } }); Clazz.defineMethod (c$, "assignAtom", - function (atomIndex, type, autoBond, addHsAndBond) { + function (atomIndex, type, autoBond, addHsAndBond, isClick) { +if (isClick) { +if (this.isVwrRotateBond ()) { +this.bondAtomIndex1 = atomIndex; +return; +}if (this.processAtomClick (atomIndex) || !this.clickToSetElement && this.vwr.ms.getAtom (atomIndex).getElementNumber () != 1) return; +}var atom = this.vwr.ms.at[atomIndex]; +if (atom == null) return; this.vwr.ms.clearDB (atomIndex); if (type == null) type = "C"; -var atom = this.vwr.ms.at[atomIndex]; var bs = new JU.BS (); var wasH = (atom.getElementNumber () == 1); var atomicNumber = (JU.PT.isUpperCase (type.charAt (0)) ? JU.Elements.elementNumberFromSymbol (type, true) : -1); var isDelete = false; if (atomicNumber > 0) { -this.vwr.ms.setElement (atom, atomicNumber, !addHsAndBond); +var doTaint = (atomicNumber > 1 || !addHsAndBond); +this.vwr.ms.setElement (atom, atomicNumber, doTaint); this.vwr.shm.setShapeSizeBs (0, 0, this.vwr.rd, JU.BSUtil.newAndSetBit (atomIndex)); -this.vwr.ms.setAtomName (atomIndex, type + atom.getAtomNumber (), !addHsAndBond); +this.vwr.ms.setAtomName (atomIndex, type + atom.getAtomNumber (), doTaint); if (this.vwr.getBoolean (603983903)) this.vwr.ms.am[atom.mi].isModelKit = true; -if (!this.vwr.ms.am[atom.mi].isModelKit) this.vwr.ms.taintAtom (atomIndex, 0); +if (!this.vwr.ms.am[atom.mi].isModelKit || atomicNumber > 1) this.vwr.ms.taintAtom (atomIndex, 0); } else if (type.toLowerCase ().equals ("pl")) { atom.setFormalCharge (atom.getFormalCharge () + 1); } else if (type.toLowerCase ().equals ("mi")) { atom.setFormalCharge (atom.getFormalCharge () - 1); } else if (type.equals ("X")) { isDelete = true; -} else if (!type.equals (".")) { +} else if (!type.equals (".") || !this.addXtalHydrogens) { return; }if (!addHsAndBond) return; this.vwr.ms.removeUnnecessaryBonds (atom, isDelete); @@ -570,11 +606,11 @@ if (bs.nextSetBit (0) >= 0) this.vwr.deleteAtoms (bs, false); bs = this.vwr.getModelUndeletedAtomsBitSet (atom.mi); bs.andNot (this.vwr.ms.getAtomBitsMDa (1612709900, null, new JU.BS ())); this.vwr.ms.makeConnections2 (0.1, 1.8, 1, 1073741904, bsA, bs, null, false, false, 0); -}if (this.addXtalHydrogens) this.vwr.addHydrogens (bsA, false, true); -}, "~N,~S,~B,~B"); +}if (this.addXtalHydrogens) this.vwr.addHydrogens (bsA, 1); +}, "~N,~S,~B,~B,~B"); Clazz.defineMethod (c$, "assignBond", function (bondIndex, type) { -var bondOrder = type - 48; +var bondOrder = type.charCodeAt (0) - 48; var bond = this.vwr.ms.bo[bondIndex]; this.vwr.ms.clearDB (bond.atom1.i); switch (type) { @@ -587,7 +623,7 @@ case '5': break; case 'p': case 'm': -bondOrder = JU.Edge.getBondOrderNumberFromOrder (bond.getCovalentOrder ()).charCodeAt (0) - 48 + (type == 112 ? 1 : -1); +bondOrder = JU.Edge.getBondOrderNumberFromOrder (bond.getCovalentOrder ()).charCodeAt (0) - 48 + (type == 'p' ? 1 : -1); if (bondOrder > 3) bondOrder = 1; else if (bondOrder < 0) bondOrder = 3; break; @@ -616,9 +652,9 @@ JU.Logger.error ("Exception in seBondOrder: " + e.toString ()); throw e; } } -if (type != 48 && this.addXtalHydrogens) this.vwr.addHydrogens (bsAtoms, false, true); +if (type != '0' && this.addXtalHydrogens) this.vwr.addHydrogens (bsAtoms, 1); return bsAtoms; -}, "~N,~N"); +}, "~N,~S"); Clazz.defineMethod (c$, "isVwrRotateBond", function () { return (this.vwr.acm.getBondPickingMode () == 34); @@ -689,8 +725,18 @@ this.vwr.rotateAboutPointsInternal (null, atomFix, atomMove, 0, degrees, false, }, "~N,~N,~N,~N,~B"); Clazz.overrideMethod (c$, "menuFocusCallback", function (name, actionCommand, gained) { -if (gained && !this.processSymop (name, true)) this.setActiveMenu (name); +if (gained && !this.processSymop (name, true)) { +this.setActiveMenu (name); +}this.exitBondRotation (); }, "~S,~S,~B"); +Clazz.defineMethod (c$, "exitBondRotation", +function () { +System.out.println ("MKP exitBondRotation"); +this.isRotateBond = false; +this.vwr.highlight (null); +if (this.prevBondCheckBox != null) this.bondHoverLabel = this.prevBondCheckBox.getText (); +this.vwr.setPickingMode (null, 33); +}); Clazz.overrideMethod (c$, "menuClickCallback", function (source, script) { this.doMenuClickCallbackMK (source, script); @@ -850,7 +896,6 @@ Clazz.defineMethod (c$, "runScriptBuffered", function (script) { var sb = new JU.SB (); try { -System.out.println ("MKP\n" + script); (this.vwr.eval).runBufferedSafely (script, sb); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { @@ -872,12 +917,15 @@ var isCharge = this.$isPickAtomAssignCharge; var atomType = this.pickAtomAssignType; if (mp.count == 2) { this.vwr.undoMoveActionClear (-1, 4146, true); -this.appRunScript ("assign connect " + mp.getMeasurementScript (" ", false)); -} else if (atomType.equals ("Xx")) { -return false; +if ((mp.getAtom (1)).isBonded (mp.getAtom (2))) { +this.appRunScript ("modelkit assign bond " + mp.getMeasurementScript (" ", false) + "'p'"); } else { -if (inRange) { -var s = "assign atom ({" + dragAtomIndex + "}) \"" + atomType + "\""; +this.appRunScript ("modelkit connect " + mp.getMeasurementScript (" ", false)); +}} else { +if (atomType.equals ("Xx")) { +atomType = this.lastElementType; +}if (inRange) { +var s = "modelkit assign atom ({" + dragAtomIndex + "}) \"" + atomType + "\" true"; if (isCharge) { s += ";{atomindex=" + dragAtomIndex + "}.label='%C'; "; this.vwr.undoMoveActionClear (dragAtomIndex, 4, true); @@ -888,7 +936,7 @@ this.vwr.undoMoveActionClear (-1, 4146, true); this.vwr.undoMoveActionClear (-1, 4146, true); var a = this.vwr.ms.at[dragAtomIndex]; if (a.getElementNumber () == 1) { -this.vwr.assignAtom (dragAtomIndex, "X", null); +this.assignAtomClick (dragAtomIndex, "X", null); } else { var x = dragged.x; var y = dragged.y; @@ -897,13 +945,118 @@ x <<= 1; y <<= 1; }var ptNew = JU.P3.new3 (x, y, a.sZ); this.vwr.tm.unTransformPoint (ptNew, ptNew); -this.vwr.assignAtom (dragAtomIndex, atomType, ptNew); +this.assignAtomClick (dragAtomIndex, atomType, ptNew); }}}return true; }, "JV.MouseState,JV.MouseState,JM.MeasurementPending,~N"); -Clazz.defineStatics (c$, -"MAX_LABEL", 32); +Clazz.defineMethod (c$, "cmdAssignAtom", +function (atomIndex, pt, type, cmd, isClick) { +if (isClick && type.equals ("X")) this.vwr.setModelKitRotateBondIndex (-1); +var ac = this.vwr.ms.ac; +var atom = (atomIndex < 0 ? null : this.vwr.ms.at[atomIndex]); +if (pt == null) { +if (atomIndex < 0 || atom == null) return; +var mi = atom.mi; +this.vwr.sm.modifySend (atomIndex, mi, 1, cmd); +this.assignAtom (atomIndex, type, this.autoBond, true, true); +if (!JU.PT.isOneOf (type, ";Mi;Pl;X;")) this.vwr.ms.setAtomNamesAndNumbers (0, -ac, null); +this.vwr.sm.modifySend (atomIndex, mi, -1, "OK"); +this.vwr.refresh (3, "assignAtom"); +return; +}var bs = (atomIndex < 0 ? new JU.BS () : JU.BSUtil.newAndSetBit (atomIndex)); +var pts = Clazz.newArray (-1, [pt]); +var vConnections = new JU.Lst (); +var modelIndex = -1; +if (atom != null) { +vConnections.addLast (atom); +modelIndex = atom.mi; +this.vwr.sm.modifySend (atomIndex, modelIndex, 3, cmd); +}try { +var pickingMode = this.vwr.acm.getAtomPickingMode (); +var wasHidden = this.hidden; +var isMK = this.vwr.getBoolean (603983903); +if (!isMK) { +this.allowPopup = false; +this.vwr.setBooleanProperty ("modelkitmode", true); +this.hidden = true; +}bs = this.vwr.addHydrogensInline (bs, vConnections, pts); +if (!isMK) { +this.vwr.setBooleanProperty ("modelkitmode", false); +this.hidden = wasHidden; +this.allowPopup = true; +this.vwr.acm.setPickingMode (pickingMode); +this.menuHidePopup (this.popupMenu); +}var atomIndex2 = bs.nextSetBit (0); +this.assignAtom (atomIndex2, type, false, atomIndex >= 0, true); +if (atomIndex >= 0) this.assignAtom (atomIndex, ".", false, true, isClick); +atomIndex = atomIndex2; +} catch (ex) { +if (Clazz.exceptionOf (ex, Exception)) { +} else { +throw ex; +} +} +this.vwr.ms.setAtomNamesAndNumbers (0, -ac, null); +this.vwr.sm.modifySend (atomIndex, modelIndex, -3, "OK"); +}, "~N,JU.P3,~S,~S,~B"); +Clazz.defineMethod (c$, "cmdAssignBond", +function (bondIndex, type, cmd) { +var modelIndex = -1; +try { +modelIndex = this.vwr.ms.bo[bondIndex].atom1.mi; +var ac = this.vwr.ms.ac; +this.vwr.sm.modifySend (bondIndex, modelIndex, 2, cmd); +var bsAtoms = this.assignBond (bondIndex, type); +this.vwr.ms.setAtomNamesAndNumbers (0, -ac, null); +if (bsAtoms == null || type == '0') this.vwr.refresh (3, "setBondOrder"); +this.vwr.sm.modifySend (bondIndex, modelIndex, -2, "" + type); +} catch (ex) { +if (Clazz.exceptionOf (ex, Exception)) { +JU.Logger.error ("assignBond failed"); +this.vwr.sm.modifySend (bondIndex, modelIndex, -2, "ERROR " + ex); +} else { +throw ex; +} +} +}, "~N,~S,~S"); +Clazz.defineMethod (c$, "cmdAssignConnect", +function (index, index2, cmd) { +var connections = JU.AU.newFloat2 (1); +connections[0] = Clazz.newFloatArray (-1, [index, index2]); +var modelIndex = this.vwr.ms.at[index].mi; +this.vwr.sm.modifySend (index, modelIndex, 2, cmd); +this.vwr.ms.connect (connections); +var ac = this.vwr.ms.ac; +this.assignAtom (index, ".", true, true, false); +this.assignAtom (index2, ".", true, true, false); +this.vwr.ms.setAtomNamesAndNumbers (0, -ac, null); +this.vwr.sm.modifySend (index, modelIndex, -2, "OK"); +this.vwr.refresh (3, "assignConnect"); +}, "~N,~N,~S"); +Clazz.defineMethod (c$, "assignAtomClick", +function (atomIndex, element, ptNew) { +this.vwr.script ("modelkit assign atom ({" + atomIndex + "}) \"" + element + "\" " + (ptNew == null ? "" : JU.Escape.eP (ptNew)) + " true"); +}, "~N,~S,JU.P3"); +Clazz.defineMethod (c$, "appRunSpecialCheckBox", +function (item, basename, script, TF) { +if (basename.indexOf ("assignAtom_Xx") == 0) { +this.pickAtomAssignType = this.lastElementType; +}return Clazz.superCall (this, J.modelkit.ModelKitPopup, "appRunSpecialCheckBox", [item, basename, script, TF]); +}, "J.api.SC,~S,~S,~B"); +Clazz.defineMethod (c$, "getDefaultModel", +function () { +return (this.addXtalHydrogens ? "5\n\nC 0 0 0\nH .63 .63 .63\nH -.63 -.63 .63\nH -.63 .63 -.63\nH .63 -.63 -.63" : "1\n\nC 0 0 0\n"); +}); c$.bundle = c$.prototype.bundle = new J.modelkit.ModelKitPopupResourceBundle (null, null); Clazz.defineStatics (c$, +"MODE_OPTIONS", ";view;edit;molecular;", +"SYMMETRY_OPTIONS", ";none;applylocal;retainlocal;applyfull;", +"UNITCELL_OPTIONS", ";packed;extend;", +"BOOLEAN_OPTIONS", ";autobond;hidden;showsymopinfo;clicktosetelement;addhydrogen;addhydrogens;", +"SET_OPTIONS", ";element;", +"MAX_LABEL", 32, +"ATOM_MENU", "atomMenu", +"BOND_MENU", "bondMenu", +"XTAL_MENU", "xtalMenu", "STATE_BITS_XTAL", 0x03, "STATE_MOLECULAR", 0x00, "STATE_XTALVIEW", 0x01, @@ -917,11 +1070,6 @@ Clazz.defineStatics (c$, "STATE_SYM_APPLYFULL", 0x80, "STATE_BITS_UNITCELL", 0x700, "STATE_UNITCELL_PACKED", 0x000, -"STATE_UNITCELL_EXTEND", 0x100, -"MODE_OPTIONS", ";view;edit;molecular;", -"SYMMETRY_OPTIONS", ";none;applylocal;retainlocal;applyfull;", -"UNITCELL_OPTIONS", ";packed;extend;", -"BOOLEAN_OPTIONS", ";showsymopinfo;clicktosetelement;addhydrogen;addhydrogens;", -"SET_OPTIONS", ";element;"); +"STATE_UNITCELL_EXTEND", 0x100); c$.Pt000 = c$.prototype.Pt000 = new JU.P3 (); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/popup/GenericPopup.js b/qmpy/web/static/js/jsmol/j2s/J/popup/GenericPopup.js index 6a0d94de..6f7ab9a6 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/popup/GenericPopup.js +++ b/qmpy/web/static/js/jsmol/j2s/J/popup/GenericPopup.js @@ -45,14 +45,6 @@ this.popupMenu = this.helper.menuCreatePopup (title, applet); this.thisPopup = this.popupMenu; this.htMenus.put (title, this.popupMenu); this.addMenuItems ("", title, this.popupMenu, bundle); -try { -this.jpiUpdateComputedMenus (); -} catch (e) { -if (Clazz.exceptionOf (e, NullPointerException)) { -} else { -throw e; -} -} }, "~S,J.popup.PopupResource,~O,~B,~B,~B"); Clazz.defineMethod (c$, "addMenuItems", function (parentId, key, menu, popupResourceBundle) { @@ -89,8 +81,7 @@ continue; if (item.indexOf ("more") < 0) this.helper.menuAddButtonGroup (null); var subMenu = this.menuNewSubMenu (label, id + "." + item); this.menuAddSubMenu (menu, subMenu); -if (item.indexOf ("Computed") < 0) this.addMenuItems (id, item, subMenu, popupResourceBundle); -this.appCheckSpecialMenu (item, subMenu, label); +this.addMenu (id, item, subMenu, label, popupResourceBundle); newItem = subMenu; } else if (item.endsWith ("Checkbox") || (isCB = (item.endsWith ("CB") || item.endsWith ("RD")))) { script = popupResourceBundle.getStructure (item); @@ -111,6 +102,11 @@ if (!this.allowSignedFeatures) this.menuEnable (newItem, false); }this.appCheckItem (item, newItem); } }, "~S,~S,J.api.SC,J.popup.PopupResource"); +Clazz.defineMethod (c$, "addMenu", +function (id, item, subMenu, label, popupResourceBundle) { +if (item.indexOf ("Computed") < 0) this.addMenuItems (id, item, subMenu, popupResourceBundle); +this.appCheckSpecialMenu (item, subMenu, label); +}, "~S,~S,J.api.SC,~S,J.popup.PopupResource"); Clazz.defineMethod (c$, "updateSignedAppletItems", function () { for (var i = this.SignedOnly.size (); --i >= 0; ) this.menuEnable (this.SignedOnly.get (i), this.allowSignedFeatures); @@ -147,6 +143,7 @@ return this.menuCreateItem (menuItem, entry, "", null); }, "J.api.SC,~S"); Clazz.defineMethod (c$, "menuSetLabel", function (m, entry) { +if (m == null) return; m.setText (entry); this.isTainted = true; }, "J.api.SC,~S"); diff --git a/qmpy/web/static/js/jsmol/j2s/J/popup/JmolPopup.js b/qmpy/web/static/js/jsmol/j2s/J/popup/JmolPopup.js index fce39938..ce851df5 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/popup/JmolPopup.js +++ b/qmpy/web/static/js/jsmol/j2s/J/popup/JmolPopup.js @@ -87,9 +87,16 @@ Clazz.overrideMethod (c$, "jpiUpdateComputedMenus", function () { if (this.updateMode == -1) return; this.isTainted = true; -this.updateMode = 0; this.getViewerData (); +this.updateMode = 0; +this.updateMenus (); +}); +Clazz.defineMethod (c$, "updateMenus", +function () { this.updateSelectMenu (); +this.updateModelSetComputedMenu (); +this.updateAboutSubmenu (); +if (this.updateMode == 0) { this.updateFileMenu (); this.updateElementsComputedMenu (this.vwr.getElementsPresentBitSet (this.modelIndex)); this.updateHeteroComputedMenu (this.vwr.ms.getHeteroList (this.modelIndex)); @@ -100,10 +107,14 @@ this.updateMode = 1; this.updateConfigurationComputedMenu (); this.updateSYMMETRYComputedMenus (); this.updateFRAMESbyModelComputedMenu (); -this.updateModelSetComputedMenu (); this.updateLanguageSubmenu (); -this.updateAboutSubmenu (); -}); +} else { +this.updateSpectraMenu (); +this.updateFRAMESbyModelComputedMenu (); +this.updateSceneComputedMenu (); +for (var i = this.Special.size (); --i >= 0; ) this.updateSpecialMenuItem (this.Special.get (i)); + +}}); Clazz.overrideMethod (c$, "appCheckItem", function (item, newMenu) { if (item.indexOf ("!PDB") >= 0) { @@ -237,21 +248,15 @@ if (this.updateMode == -1) return; this.isTainted = true; this.getViewerData (); this.updateMode = 2; -this.updateSelectMenu (); -this.updateSpectraMenu (); -this.updateFRAMESbyModelComputedMenu (); -this.updateSceneComputedMenu (); -this.updateModelSetComputedMenu (); -this.updateAboutSubmenu (); -for (var i = this.Special.size (); --i >= 0; ) this.updateSpecialMenuItem (this.Special.get (i)); - +this.updateMenus (); }); Clazz.defineMethod (c$, "updateFileMenu", - function () { +function () { var menu = this.htMenus.get ("fileMenu"); if (menu == null) return; var text = this.getMenuText ("writeFileTextVARIABLE"); menu = this.htMenus.get ("writeFileTextVARIABLE"); +if (menu == null) return; var ignore = (this.modelSetFileName.equals ("zapped") || this.modelSetFileName.equals ("")); if (ignore) { this.menuSetLabel (menu, ""); @@ -266,14 +271,14 @@ var str = this.menuText.getProperty (key); return (str == null ? key : str); }, "~S"); Clazz.defineMethod (c$, "updateSelectMenu", - function () { +function () { var menu = this.htMenus.get ("selectMenuText"); if (menu == null) return; this.menuEnable (menu, this.ac != 0); this.menuSetLabel (menu, this.gti ("selectMenuText", this.vwr.slm.getSelectionCount ())); }); Clazz.defineMethod (c$, "updateElementsComputedMenu", - function (elementsPresentBitSet) { +function (elementsPresentBitSet) { var menu = this.htMenus.get ("elementsComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -297,13 +302,13 @@ this.menuCreateItem (menu, entryName, "SELECT " + elementName, null); this.menuEnable (menu, true); }, "JU.BS"); Clazz.defineMethod (c$, "updateSpectraMenu", - function () { +function () { +var menu = this.htMenus.get ("spectraMenu"); +if (menu == null) return; var menuh = this.htMenus.get ("hnmrMenu"); -var menuc = this.htMenus.get ("cnmrMenu"); if (menuh != null) this.menuRemoveAll (menuh, 0); +var menuc = this.htMenus.get ("cnmrMenu"); if (menuc != null) this.menuRemoveAll (menuc, 0); -var menu = this.htMenus.get ("spectraMenu"); -if (menu == null) return; this.menuRemoveAll (menu, 0); var isOK = new Boolean (this.setSpectraMenu (menuh, this.hnmrPeaks) | this.setSpectraMenu (menuc, this.cnmrPeaks)).valueOf (); if (isOK) { @@ -313,10 +318,10 @@ if (menuc != null) this.menuAddSubMenu (menu, menuc); }); Clazz.defineMethod (c$, "setSpectraMenu", function (menu, peaks) { -if (menu == null) return false; -this.menuEnable (menu, false); var n = (peaks == null ? 0 : peaks.size ()); if (n == 0) return false; +if (menu == null) return false; +this.menuEnable (menu, false); for (var i = 0; i < n; i++) { var peak = peaks.get (i); var title = JU.PT.getQuotedAttribute (peak, "title"); @@ -327,7 +332,7 @@ this.menuEnable (menu, true); return true; }, "J.api.SC,JU.Lst"); Clazz.defineMethod (c$, "updateHeteroComputedMenu", - function (htHetero) { +function (htHetero) { var menu = this.htMenus.get ("PDBheteroComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -345,7 +350,7 @@ n++; this.menuEnable (menu, (n > 0)); }, "java.util.Map"); Clazz.defineMethod (c$, "updateSurfMoComputedMenu", - function (moData) { +function (moData) { var menu = this.htMenus.get ("surfMoComputedMenuText"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -377,7 +382,7 @@ this.menuCreateItem (subMenu, entryName, script, null); } }, "java.util.Map"); Clazz.defineMethod (c$, "updateFileTypeDependentMenus", - function () { +function () { for (var i = this.NotPDB.size (); --i >= 0; ) this.menuEnable (this.NotPDB.get (i), !this.isPDB); for (var i = this.PDBOnly.size (); --i >= 0; ) this.menuEnable (this.PDBOnly.get (i), this.isPDB); @@ -403,7 +408,7 @@ for (var i = this.TemperatureOnly.size (); --i >= 0; ) this.menuEnable (this.Tem this.updateSignedAppletItems (); }); Clazz.defineMethod (c$, "updateSceneComputedMenu", - function () { +function () { var menu = this.htMenus.get ("sceneComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -415,20 +420,20 @@ for (var i = 0; i < scenes.length; i++) this.menuCreateItem (menu, scenes[i], "r this.menuEnable (menu, true); }); Clazz.defineMethod (c$, "updatePDBComputedMenus", - function () { -var menu = this.htMenus.get ("PDBaaResiduesComputedMenu"); -if (menu == null) return; -this.menuRemoveAll (menu, 0); -this.menuEnable (menu, false); -var menu1 = this.htMenus.get ("PDBnucleicResiduesComputedMenu"); -if (menu1 == null) return; +function () { +var menu3 = this.htMenus.get ("PDBaaResiduesComputedMenu"); +if (menu3 != null) { +this.menuRemoveAll (menu3, 0); +this.menuEnable (menu3, false); +}var menu1 = this.htMenus.get ("PDBnucleicResiduesComputedMenu"); +if (menu1 != null) { this.menuRemoveAll (menu1, 0); this.menuEnable (menu1, false); -var menu2 = this.htMenus.get ("PDBcarboResiduesComputedMenu"); -if (menu2 == null) return; +}var menu2 = this.htMenus.get ("PDBcarboResiduesComputedMenu"); +if (menu2 != null) { this.menuRemoveAll (menu2, 0); this.menuEnable (menu2, false); -if (this.modelSetInfo == null) return; +}if (this.modelSetInfo == null) return; var n = (this.modelIndex < 0 ? 0 : this.modelIndex + 1); var lists = (this.modelSetInfo.get ("group3Lists")); this.group3List = (lists == null ? null : lists[n]); @@ -436,20 +441,23 @@ this.group3Counts = (lists == null ? null : (this.modelSetInfo.get ("group3Count if (this.group3List == null) return; var nItems = 0; var groupList = JM.Group.standardGroupList; -for (var i = 1; i < 24; ++i) nItems += this.updateGroup3List (menu, groupList.substring (i * 6 - 4, i * 6 - 1).trim ()); +if (menu3 != null) { +for (var i = 1; i < 24; ++i) nItems += this.updateGroup3List (menu3, groupList.substring (i * 6 - 4, i * 6 - 1).trim ()); -nItems += this.augmentGroup3List (menu, "p>", true); -this.menuEnable (menu, (nItems > 0)); +nItems += this.augmentGroup3List (menu3, "p>", true); +this.menuEnable (menu3, (nItems > 0)); this.menuEnable (this.htMenus.get ("PDBproteinMenu"), (nItems > 0)); +}if (menu1 != null) { nItems = this.augmentGroup3List (menu1, "n>", false); this.menuEnable (menu1, nItems > 0); this.menuEnable (this.htMenus.get ("PDBnucleicMenu"), (nItems > 0)); var dssr = (nItems > 0 && this.modelIndex >= 0 ? this.vwr.ms.getInfo (this.modelIndex, "dssr") : null); if (dssr != null) this.setSecStrucMenu (this.htMenus.get ("aaStructureMenu"), dssr); +}if (menu2 != null) { nItems = this.augmentGroup3List (menu2, "c>", false); this.menuEnable (menu2, nItems > 0); this.menuEnable (this.htMenus.get ("PDBcarboMenu"), (nItems > 0)); -}); +}}); Clazz.defineMethod (c$, "setSecStrucMenu", function (menu, dssr) { var counts = dssr.get ("counts"); @@ -494,12 +502,12 @@ pt++; return nItems; }, "J.api.SC,~S,~B"); Clazz.defineMethod (c$, "updateSYMMETRYComputedMenus", - function () { +function () { this.updateSYMMETRYSelectComputedMenu (); this.updateSYMMETRYShowComputedMenu (); }); Clazz.defineMethod (c$, "updateSYMMETRYShowComputedMenu", - function () { +function () { var menu = this.htMenus.get ("SYMMETRYShowComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -529,7 +537,7 @@ this.menuEnable (this.menuCreateItem (subMenu, entryName, "draw SYMOP " + (i + 1 this.menuEnable (menu, true); }); Clazz.defineMethod (c$, "updateSYMMETRYSelectComputedMenu", - function () { +function () { var menu = this.htMenus.get ("SYMMETRYSelectComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -555,7 +563,7 @@ this.menuEnable (this.menuCreateItem (subMenu, entryName, "SELECT symop=" + (i + this.menuEnable (menu, true); }); Clazz.defineMethod (c$, "updateFRAMESbyModelComputedMenu", - function () { +function () { var menu = this.htMenus.get ("FRAMESbyModelComputedMenu"); if (menu == null) return; this.menuEnable (menu, (this.modelCount > 0)); @@ -587,7 +595,7 @@ this.menuCreateCheckboxItem (subMenu, entryName, "model " + script + " ##", null } }); Clazz.defineMethod (c$, "updateConfigurationComputedMenu", - function () { +function () { var menu = this.htMenus.get ("configurationComputedMenu"); if (menu == null) return; this.menuEnable (menu, this.isMultiConfiguration); @@ -604,7 +612,7 @@ this.menuCreateCheckboxItem (menu, entryName, script, null, (this.updateMode == } }); Clazz.defineMethod (c$, "updateModelSetComputedMenu", - function () { +function () { var menu = this.htMenus.get ("modelSetMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -659,12 +667,12 @@ Clazz.defineMethod (c$, "gto", return J.i18n.GT.o (J.i18n.GT.$ (this.getMenuText (s)), o); }, "~S,~O"); Clazz.defineMethod (c$, "updateAboutSubmenu", - function () { +function () { if (this.isApplet) this.setText ("APPLETid", this.vwr.appletName); { }}); Clazz.defineMethod (c$, "updateLanguageSubmenu", - function () { +function () { var menu = this.htMenus.get ("languageComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -685,7 +693,7 @@ this.menuCreateCheckboxItem (menu, menuLabel, "language = \"" + code + "\" ##" + }} }); Clazz.defineMethod (c$, "updateSpecialMenuItem", - function (m) { +function (m) { m.setText (this.getSpecialLabel (m.getName (), m.getText ())); }, "J.api.SC"); Clazz.defineMethod (c$, "getSpecialLabel", diff --git a/qmpy/web/static/js/jsmol/j2s/J/quantum/QuantumCalculation.js b/qmpy/web/static/js/jsmol/j2s/J/quantum/QuantumCalculation.js index a901593a..67515198 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/quantum/QuantumCalculation.js +++ b/qmpy/web/static/js/jsmol/j2s/J/quantum/QuantumCalculation.js @@ -79,7 +79,8 @@ this.stepBohr[i] = stepsXYZ[i] * this.unitFactor; this.volume *= this.stepBohr[i]; } JU.Logger.info ("QuantumCalculation:\n origin = " + JU.Escape.eAF (originXYZ) + "\n steps = " + JU.Escape.eAF (stepsXYZ) + "\n origin(Bohr)= " + JU.Escape.eAF (this.originBohr) + "\n steps(Bohr)= " + JU.Escape.eAF (this.stepBohr) + "\n counts= " + this.nX + " " + this.nY + " " + this.nZ); -}this.qmAtoms = new Array (renumber ? bsSelected.cardinality () : xyz.length); +}if (atoms == null) return; +this.qmAtoms = new Array (renumber ? bsSelected.cardinality () : xyz.length); var isAll = (bsSelected == null); var i0 = (isAll ? this.qmAtoms.length - 1 : bsSelected.nextSetBit (0)); for (var i = i0, j = 0; i >= 0; i = (isAll ? i - 1 : bsSelected.nextSetBit (i + 1))) this.qmAtoms[renumber ? j++ : i] = new J.quantum.QMAtom (i, xyz[i], atoms[i], this.X, this.Y, this.Z, this.X2, this.Y2, this.Z2, this.unitFactor); diff --git a/qmpy/web/static/js/jsmol/j2s/J/quantum/atomicLipophilicity.txt b/qmpy/web/static/js/jsmol/j2s/J/quantum/atomicLipophilicity.txt index aebd5b3e..bf12c479 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/quantum/atomicLipophilicity.txt +++ b/qmpy/web/static/js/jsmol/j2s/J/quantum/atomicLipophilicity.txt @@ -1,105 +1,105 @@ -# from pyMLP.py http://code.google.com/p/pymlp/ -# -# Broto P., Moreau G., Vandycke C. - -# Molecular structures: Perception, autocorrelation descriptor and sar studies. -# System of atomic contributions for the calculation of the n-octanol/water -# partition coefficients, Eu. J. Med. Chem. 1984, 19.1, 71-78 -# -# Laguerre M., Saux M., Dubost J.P., Carpy A. - -# MLPP: A program for the calculation of molecular lipophilicity potential in -# proteins, Pharm. Sci. 1997, 3.5-6, 217-222 -# -# adapted by Bob Hanson hansonr@stolaf.edu 6/15/2010 -# -# generic protein: - -_pC -0.54 -_pCA 0.02 -_pCB 0.45 -_pCG 0.45 -_pN -0.44 -_pO -0.68 - -# one-letter codes: - -ACB 0.63 -CSG 0.27 -DCG 0.54 -DOD1 -0.68 -DOD2 0.53 -ECD -0.54 -EOE1 -0.68 -EOE2 0.53 -FCD1 0.31 -FCD2 0.31 -FCE1 0.31 -FCE2 0.31 -FCG 0.09 -FCZ 0.31 -GCA 0.45 -GN -0.55 -HCD2 0.31 -HCE1 0.31 -HCG 0.09 -HND1 -0.56 -HNE2 -0.8 -ICB 0.02 -ICD 0.63 -ICD1 0.63 -ICG1 0.45 -ICG2 0.63 -KCD 0.45 -KCE 0.45 -KNZ -1.08 -LCD1 0.63 -LCD2 0.63 -LCG 0.02 -MCE 0.63 -MSD -0.3 -NND2 -0.11 -NOD1 -0.68 -PCD 0.45 -PN -0.92 -QCD -0.54 -QNE2 -0.11 -QOE1 -0.68 -RCD 0.45 -RCZ -0.54 -RNE -0.55 -RNH1 -0.11 -RNH2 -0.83 -SOG -0.99 -TCB 0.02 -TCG2 0.63 -TOG1 -0.93 -VCB 0.02 -VCG1 0.63 -VCG2 0.63 -WCB 0.45 -WCD1 0.31 -WCD2 0.24 -WCE2 0.24 -WCE3 0.31 -WCG 0.09 -WCH2 0.31 -WCZ2 0.31 -WCZ3 0.31 -WNE1 -0.55 -YCB 0.45 -YCD1 0.31 -YCD2 0.31 -YCE1 0.31 -YCE2 0.31 -YCG 0.09 -YCZ 0.09 -YOH -0.17 - -# 3-letter codes - -HYPCD1 0.45 -HYPCG 0.02 -HYPN -0.92 -HYPOD2 -0.93 -PCACD -0.54 -PCAN 1.52 -PCAOE -0.68 +# from pyMLP.py http://code.google.com/p/pymlp/ +# +# Broto P., Moreau G., Vandycke C. - +# Molecular structures: Perception, autocorrelation descriptor and sar studies. +# System of atomic contributions for the calculation of the n-octanol/water +# partition coefficients, Eu. J. Med. Chem. 1984, 19.1, 71-78 +# +# Laguerre M., Saux M., Dubost J.P., Carpy A. - +# MLPP: A program for the calculation of molecular lipophilicity potential in +# proteins, Pharm. Sci. 1997, 3.5-6, 217-222 +# +# adapted by Bob Hanson hansonr@stolaf.edu 6/15/2010 +# +# generic protein: + +_pC -0.54 +_pCA 0.02 +_pCB 0.45 +_pCG 0.45 +_pN -0.44 +_pO -0.68 + +# one-letter codes: + +ACB 0.63 +CSG 0.27 +DCG 0.54 +DOD1 -0.68 +DOD2 0.53 +ECD -0.54 +EOE1 -0.68 +EOE2 0.53 +FCD1 0.31 +FCD2 0.31 +FCE1 0.31 +FCE2 0.31 +FCG 0.09 +FCZ 0.31 +GCA 0.45 +GN -0.55 +HCD2 0.31 +HCE1 0.31 +HCG 0.09 +HND1 -0.56 +HNE2 -0.8 +ICB 0.02 +ICD 0.63 +ICD1 0.63 +ICG1 0.45 +ICG2 0.63 +KCD 0.45 +KCE 0.45 +KNZ -1.08 +LCD1 0.63 +LCD2 0.63 +LCG 0.02 +MCE 0.63 +MSD -0.3 +NND2 -0.11 +NOD1 -0.68 +PCD 0.45 +PN -0.92 +QCD -0.54 +QNE2 -0.11 +QOE1 -0.68 +RCD 0.45 +RCZ -0.54 +RNE -0.55 +RNH1 -0.11 +RNH2 -0.83 +SOG -0.99 +TCB 0.02 +TCG2 0.63 +TOG1 -0.93 +VCB 0.02 +VCG1 0.63 +VCG2 0.63 +WCB 0.45 +WCD1 0.31 +WCD2 0.24 +WCE2 0.24 +WCE3 0.31 +WCG 0.09 +WCH2 0.31 +WCZ2 0.31 +WCZ3 0.31 +WNE1 -0.55 +YCB 0.45 +YCD1 0.31 +YCD2 0.31 +YCE1 0.31 +YCE2 0.31 +YCG 0.09 +YCZ 0.09 +YOH -0.17 + +# 3-letter codes + +HYPCD1 0.45 +HYPCG 0.02 +HYPN -0.92 +HYPOD2 -0.93 +PCACD -0.54 +PCAN 1.52 +PCAOE -0.68 diff --git a/qmpy/web/static/js/jsmol/j2s/J/quantum/nmr_data.txt b/qmpy/web/static/js/jsmol/j2s/J/quantum/nmr_data.txt index e56e2837..b2406179 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/quantum/nmr_data.txt +++ b/qmpy/web/static/js/jsmol/j2s/J/quantum/nmr_data.txt @@ -1,83 +1,83 @@ -#extracted by Simone Sturniolo from ROBIN K. HARRIS, EDWIN D. BECKER, SONIA M. CABRAL DE MENEZES, ROBIN GOODFELLOW, AND PIERRE GRANGER, Pure Appl. Chem., Vol. 73, No. 11, pp. 1795–1818, 2001. NMR NOMENCLATURE. NUCLEAR SPIN PROPERTIES AND CONVENTIONS FOR CHEMICAL SHIFTS (IUPAC Recommendations 2001) -#element atomNo isotopeDef isotope1 G1 Q1 isotope2 G2 Q2 isotope3 G3 Q3 -H 1 1 1 26.7522128 0 2 4.10662791 0.00286 3 28.5349779 0 -He 2 3 3 -20.3801587 0 -Li 3 7 6 3.9371709 -0.000808 7 10.3977013 -0.0401 -Be 4 9 9 -3.759666 0.05288 -B 5 11 10 2.8746786 0.08459 11 8.5847044 0.04059 -C 6 13 13 6.728284 0 -N 7 14 14 1.9337792 0.02044 15 -2.71261804 0 -O 8 17 17 -3.62808 -0.02558 -F 9 19 19 25.18148 -0.0942 -Ne 10 21 21 -2.11308 0.10155 -Na 11 23 23 7.0808493 0.104 -Mg 12 25 25 -1.63887 0.1994 -Al 13 27 27 6.9762715 0.1466 -Si 14 29 29 -5.319 0 -P 15 31 31 10.8394 0 -S 16 33 33 2.055685 -0.0678 -Cl 17 35 35 2.624198 -0.08165 37 2.184368 -0.06435 -K 19 39 40 -1.5542854 -0.073 41 0.68606808 0.0711 39 1.2500608 0.0585 -Ca 20 43 43 -1.803069 -0.0408 -Sc 21 45 45 6.5087973 -0.22 -Ti 22 49 49 -1.51095 0.247 47 -1.5105 0.302 -V 23 51 50 2.670649 0.21 51 7.0455117 -0.052 -Cr 24 53 53 -1.5152 -0.15 -Mn 25 55 55 6.6452546 0.33 -Fe 26 57 57 0.8680624 0.16 -Co 27 59 59 6.332 0.42 -Ni 28 61 61 -2.3948 0.162 -Cu 29 65 65 7.60435 -0.204 63 7.111789 -0.22 -Zn 30 67 67 1.676688 0.15 -Ga 31 71 69 6.438855 0.171 71 8.181171 0.107 -Ge 32 73 73 -0.9360303 -0.196 -As 33 75 75 4.596163 0.314 -Se 34 77 77 5.1253857 0.76 -Br 35 81 81 7.249776 0.262 79 6.725616 0.313 -Kr 36 83 83 -1.0331 0.259 -Rb 37 87 85 2.592705 0.276 87 8.7864 0.1335 -Sr 38 87 87 -1.1639376 0.305 -Y 39 89 89 -1.3162791 0 -Zr 40 91 91 -2.49743 -0.176 -Nb 41 93 93 6.5674 -0.32 -Mo 42 95 97 -1.788 0.255 95 1.751 -0.022 -Ru 44 99 99 -1.229 0.079 -Tc 43 99 99 6.046 -0.129 -Rh 45 103 103 -0.8468 0 -Pd 46 105 105 -1.23 0.66 -Ag 47 109 107 -1.0889181 0 109 -1.2518634 0 -Cd 48 113 113 -5.9609155 0 111 -5.6983131 0 -In 49 115 113 5.8845 0.759 115 5.8972 0.77 -Sn 50 119 115 -8.8013 0 117 -9.58879 0 119 -10.0317 -0.132 -Sb 51 121 121 6.4435 -0.543 123 3.4892 -0.692 -Te 52 125 123 -7.059098 0 125 -8.5108404 0 -I 53 127 127 5.389573 -0.696 -Xe 54 129 129 -7.452103 0 131 2.209076 -0.114 -Cs 55 133 133 3.5332539 -0.00343 -Ba 56 137 137 2.99295 0.245 135 2.6755 0.16 -La 57 139 138 3.557239 0.45 139 3.8083318 0.2 -Pr 59 141 141 8.1907 -0.0589 -Nd 60 145 145 -0.898 -0.33 143 -1.457 -0.63 -Sm 62 147 147 -1.115 -0.259 149 -0.9192 0.075 -Eu 63 153 153 2.9369 2.412 151 6.651 0.903 -Gd 64 155 155 -0.82132 1.27 157 -1.0769 1.35 -Tb 65 159 159 6.431 1.432 -Dy 66 161 161 -0.9201 2.507 163 1.289 2.648 -Ho 67 165 165 5.71 3.58 -Er 68 167 167 -0.77157 3.565 -Tm 69 169 169 -2.218 -1.2 -Yb 70 171 171 4.7288 0 173 -1.3025 2.8 -Lu 71 176 176 2.1684 4.97 175 3.0552 3.49 -Hf 72 179 177 1.086 3.365 179 -6.82E-08 3.793 -Ta 73 181 181 3.2438 3.17 -W 74 183 183 1.1282403 0 -Re 75 187 185 6.1057 2.18 187 6.1682 2.07 -Os 76 187 187 0.6192895 0 189 2.10713 0.856 -Ir 77 193 193 0.5227 0.751 191 0.4812 0.816 -Pt 78 195 195 5.8385 0 -Au 79 197 197 0.47306 0.547 -Hg 80 199 201 -1.788769 0.387 199 4.8457916 0 -Tl 81 205 203 15.5393338 0 205 15.6921808 0 -Pb 82 207 207 5.58046 0 -Bi 83 209 209 4.375 -0.516 -U 92 235 235 -0.52 4.936 +#extracted by Simone Sturniolo from ROBIN K. HARRIS, EDWIN D. BECKER, SONIA M. CABRAL DE MENEZES, ROBIN GOODFELLOW, AND PIERRE GRANGER, Pure Appl. Chem., Vol. 73, No. 11, pp. 1795�1818, 2001. NMR NOMENCLATURE. NUCLEAR SPIN PROPERTIES AND CONVENTIONS FOR CHEMICAL SHIFTS (IUPAC Recommendations 2001) +#element atomNo isotopeDef isotope1 G1 Q1 isotope2 G2 Q2 isotope3 G3 Q3 +H 1 1 1 26.7522128 0 2 4.10662791 0.00286 3 28.5349779 0 +He 2 3 3 -20.3801587 0 +Li 3 7 6 3.9371709 -0.000808 7 10.3977013 -0.0401 +Be 4 9 9 -3.759666 0.05288 +B 5 11 10 2.8746786 0.08459 11 8.5847044 0.04059 +C 6 13 13 6.728284 0 +N 7 14 14 1.9337792 0.02044 15 -2.71261804 0 +O 8 17 17 -3.62808 -0.02558 +F 9 19 19 25.18148 -0.0942 +Ne 10 21 21 -2.11308 0.10155 +Na 11 23 23 7.0808493 0.104 +Mg 12 25 25 -1.63887 0.1994 +Al 13 27 27 6.9762715 0.1466 +Si 14 29 29 -5.319 0 +P 15 31 31 10.8394 0 +S 16 33 33 2.055685 -0.0678 +Cl 17 35 35 2.624198 -0.08165 37 2.184368 -0.06435 +K 19 39 40 -1.5542854 -0.073 41 0.68606808 0.0711 39 1.2500608 0.0585 +Ca 20 43 43 -1.803069 -0.0408 +Sc 21 45 45 6.5087973 -0.22 +Ti 22 49 49 -1.51095 0.247 47 -1.5105 0.302 +V 23 51 50 2.670649 0.21 51 7.0455117 -0.052 +Cr 24 53 53 -1.5152 -0.15 +Mn 25 55 55 6.6452546 0.33 +Fe 26 57 57 0.8680624 0.16 +Co 27 59 59 6.332 0.42 +Ni 28 61 61 -2.3948 0.162 +Cu 29 65 65 7.60435 -0.204 63 7.111789 -0.22 +Zn 30 67 67 1.676688 0.15 +Ga 31 71 69 6.438855 0.171 71 8.181171 0.107 +Ge 32 73 73 -0.9360303 -0.196 +As 33 75 75 4.596163 0.314 +Se 34 77 77 5.1253857 0.76 +Br 35 81 81 7.249776 0.262 79 6.725616 0.313 +Kr 36 83 83 -1.0331 0.259 +Rb 37 87 85 2.592705 0.276 87 8.7864 0.1335 +Sr 38 87 87 -1.1639376 0.305 +Y 39 89 89 -1.3162791 0 +Zr 40 91 91 -2.49743 -0.176 +Nb 41 93 93 6.5674 -0.32 +Mo 42 95 97 -1.788 0.255 95 1.751 -0.022 +Ru 44 99 99 -1.229 0.079 +Tc 43 99 99 6.046 -0.129 +Rh 45 103 103 -0.8468 0 +Pd 46 105 105 -1.23 0.66 +Ag 47 109 107 -1.0889181 0 109 -1.2518634 0 +Cd 48 113 113 -5.9609155 0 111 -5.6983131 0 +In 49 115 113 5.8845 0.759 115 5.8972 0.77 +Sn 50 119 115 -8.8013 0 117 -9.58879 0 119 -10.0317 -0.132 +Sb 51 121 121 6.4435 -0.543 123 3.4892 -0.692 +Te 52 125 123 -7.059098 0 125 -8.5108404 0 +I 53 127 127 5.389573 -0.696 +Xe 54 129 129 -7.452103 0 131 2.209076 -0.114 +Cs 55 133 133 3.5332539 -0.00343 +Ba 56 137 137 2.99295 0.245 135 2.6755 0.16 +La 57 139 138 3.557239 0.45 139 3.8083318 0.2 +Pr 59 141 141 8.1907 -0.0589 +Nd 60 145 145 -0.898 -0.33 143 -1.457 -0.63 +Sm 62 147 147 -1.115 -0.259 149 -0.9192 0.075 +Eu 63 153 153 2.9369 2.412 151 6.651 0.903 +Gd 64 155 155 -0.82132 1.27 157 -1.0769 1.35 +Tb 65 159 159 6.431 1.432 +Dy 66 161 161 -0.9201 2.507 163 1.289 2.648 +Ho 67 165 165 5.71 3.58 +Er 68 167 167 -0.77157 3.565 +Tm 69 169 169 -2.218 -1.2 +Yb 70 171 171 4.7288 0 173 -1.3025 2.8 +Lu 71 176 176 2.1684 4.97 175 3.0552 3.49 +Hf 72 179 177 1.086 3.365 179 -6.82E-08 3.793 +Ta 73 181 181 3.2438 3.17 +W 74 183 183 1.1282403 0 +Re 75 187 185 6.1057 2.18 187 6.1682 2.07 +Os 76 187 187 0.6192895 0 189 2.10713 0.856 +Ir 77 193 193 0.5227 0.751 191 0.4812 0.816 +Pt 78 195 195 5.8385 0 +Au 79 197 197 0.47306 0.547 +Hg 80 199 201 -1.788769 0.387 199 4.8457916 0 +Tl 81 205 203 15.5393338 0 205 15.6921808 0 +Pb 82 207 207 5.58046 0 +Bi 83 209 209 4.375 -0.516 +U 92 235 235 -0.52 4.936 diff --git a/qmpy/web/static/js/jsmol/j2s/J/render/FrankRenderer.js b/qmpy/web/static/js/jsmol/j2s/J/render/FrankRenderer.js index 3f5fa348..996af011 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/render/FrankRenderer.js +++ b/qmpy/web/static/js/jsmol/j2s/J/render/FrankRenderer.js @@ -15,12 +15,12 @@ frank.getFont (imageFontScaling); var dx = Clazz.floatToInt (frank.frankWidth + 4 * imageFontScaling); var dy = frank.frankDescent; this.g3d.drawStringNoSlab (frank.frankString, frank.font3d, this.vwr.gdata.width - dx, this.vwr.gdata.height - dy, 0, 0); -if (modelKitMode) { +var kit = (modelKitMode ? this.vwr.getModelkit (false) : null); +if (modelKitMode && !kit.isHidden ()) { this.g3d.setC (12); var w = 10; var h = 26; this.g3d.fillTextRect (0, 0, 1, 0, w, h * 4); -var kit = this.vwr.getModelkit (false); var active = kit.getActiveMenu (); if (active != null) { if ("atomMenu".equals (active)) { diff --git a/qmpy/web/static/js/jsmol/j2s/J/render/HalosRenderer.js b/qmpy/web/static/js/jsmol/j2s/J/render/HalosRenderer.js index 22ec50cf..213185bc 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/render/HalosRenderer.js +++ b/qmpy/web/static/js/jsmol/j2s/J/render/HalosRenderer.js @@ -18,7 +18,7 @@ var needTranslucent = false; this.g3d.addRenderer (1073741880); for (var i = this.ms.ac; --i >= 0; ) { var atom = atoms[i]; -if ((atom.shapeVisibilityFlags & 1) == 0) continue; +if (atom == null || (atom.shapeVisibilityFlags & 1) == 0) continue; var isHidden = this.ms.isAtomHidden (i); this.mad = (halos.mads == null ? 0 : halos.mads[i]); this.colix = (halos.colixes == null || i >= halos.colixes.length ? 0 : halos.colixes[i]); diff --git a/qmpy/web/static/js/jsmol/j2s/J/render/UccageRenderer.js b/qmpy/web/static/js/jsmol/j2s/J/render/UccageRenderer.js index dc5ffd8c..c6804db7 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/render/UccageRenderer.js +++ b/qmpy/web/static/js/jsmol/j2s/J/render/UccageRenderer.js @@ -112,10 +112,12 @@ this.renderInfo (); }, "~N"); Clazz.defineMethod (c$, "renderInfo", function () { -if (this.isExport || !this.vwr.getBoolean (603979828) || this.unitcell.isSimple () || this.vwr.isPreviewOnly || !this.vwr.gdata.setC (this.vwr.cm.colixBackgroundContrast) || this.vwr.gdata.getTextPosition () != 0) return; +var showDetails = this.vwr.getBoolean (603979937); +if (this.isExport || !this.vwr.getBoolean (603979828) || this.vwr.isPreviewOnly || !this.vwr.gdata.setC (this.vwr.cm.colixBackgroundContrast) || this.vwr.gdata.getTextPosition () != 0) return; this.vwr.gdata.setFontFid (this.vwr.gdata.getFontFidFS ("Monospaced", 14 * this.imageFontScaling)); this.xpos = Clazz.doubleToInt (Math.floor (10 * this.imageFontScaling)); this.ypos = this.lineheight = Clazz.doubleToInt (Math.floor (15 * this.imageFontScaling)); +if (!this.unitcell.isSimple ()) { var sgName = (this.isPolymer ? "polymer" : this.isSlab ? "slab" : this.unitcell.getSpaceGroupName ()); if (sgName != null) { if (sgName.startsWith ("cell=!")) sgName = "cell=inverse[" + sgName.substring (6) + "]"; @@ -128,8 +130,8 @@ this.drawInfo (sgName, 0, null); }}var info = this.unitcell.getMoreInfo (); if (info != null) for (var i = 0; i < info.size (); i++) this.drawInfo (info.get (i), 0, null); -if (!this.vwr.getBoolean (603979937)) return; -this.drawInfo ("a=", 0, "\u00C5"); +if (!showDetails) return; +}this.drawInfo ("a=", 0, "\u00C5"); if (!this.isPolymer) this.drawInfo ("b=", 1, "\u00C5"); if (!this.isPolymer && !this.isSlab) this.drawInfo ("c=", 2, "\u00C5"); if (!this.isPolymer) { diff --git a/qmpy/web/static/js/jsmol/j2s/J/renderbio/BioShapeRenderer.js b/qmpy/web/static/js/jsmol/j2s/J/renderbio/BioShapeRenderer.js index 0c143223..37d42d9c 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/renderbio/BioShapeRenderer.js +++ b/qmpy/web/static/js/jsmol/j2s/J/renderbio/BioShapeRenderer.js @@ -77,7 +77,7 @@ this.wireframeOnly = TF; TF = (this.isExport || !this.wireframeOnly && this.vwr.getBoolean (603979864)); if (TF != this.isHighRes) this.invalidateMesh = true; this.isHighRes = TF; -TF = !this.wireframeOnly && (this.vwr.getBoolean (603979817) || this.isExport); +TF = !this.wireframeOnly && (this.vwr.getBoolean (603979816) || this.isExport); if (this.cartoonsFancy != TF) { this.invalidateMesh = true; this.cartoonsFancy = TF; @@ -247,7 +247,7 @@ if (!thisTypeOnly || this.structureTypes[i] === this.structureTypes[this.iNext]) this.diameterMid = Clazz.floatToInt (this.vwr.tm.scaleToScreen (this.monomers[i].getLeadAtom ().sZ, this.madMid)); this.diameterEnd = Clazz.floatToInt (this.vwr.tm.scaleToScreen (Clazz.floatToInt (this.controlPointScreens[this.iNext].z), this.madEnd)); var doCap0 = (i == this.iPrev || !this.bsVisible.get (this.iPrev) || thisTypeOnly && this.structureTypes[i] !== this.structureTypes[this.iPrev]); -var doCap1 = (this.iNext == this.iNext2 || !this.bsVisible.get (this.iNext) || thisTypeOnly && this.structureTypes[i] !== this.structureTypes[this.iNext]); +var doCap1 = (this.iNext == this.iNext2 || this.iNext2 == this.iNext3 || !this.bsVisible.get (this.iNext) || thisTypeOnly && this.structureTypes[i] !== this.structureTypes[this.iNext]); return (this.aspectRatio > 0 && this.meshRenderer != null && this.meshRenderer.check (doCap0, doCap1)); }, "~N,~B"); Clazz.defineMethod (c$, "renderHermiteCylinder", diff --git a/qmpy/web/static/js/jsmol/j2s/J/renderbio/CartoonRenderer.js b/qmpy/web/static/js/jsmol/j2s/J/renderbio/CartoonRenderer.js index 84df0395..c334b7f8 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/renderbio/CartoonRenderer.js +++ b/qmpy/web/static/js/jsmol/j2s/J/renderbio/CartoonRenderer.js @@ -12,7 +12,7 @@ if (this.nucleicRenderer == null) this.nucleicRenderer = J.api.Interface.getInte this.calcScreenControlPoints (); this.nucleicRenderer.renderNucleic (this); return; -}var val = this.vwr.getBoolean (603979820); +}var val = this.vwr.getBoolean (603979819); if (this.helixRockets != val) { bioShape.falsifyMesh (); this.helixRockets = val; diff --git a/qmpy/web/static/js/jsmol/j2s/J/renderbio/NucleicRenderer.js b/qmpy/web/static/js/jsmol/j2s/J/renderbio/NucleicRenderer.js index a4970d60..127a10a4 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/renderbio/NucleicRenderer.js +++ b/qmpy/web/static/js/jsmol/j2s/J/renderbio/NucleicRenderer.js @@ -47,10 +47,10 @@ this.vwr = renderer.vwr; var screens = renderer.controlPointScreens; var pts = renderer.controlPoints; this.cartoonBlocks = this.vwr.getBoolean (603979810); -this.cartoonBaseEdges = this.vwr.getBoolean (603979816); +this.cartoonBaseEdges = this.vwr.getBoolean (603979815); this.cartoonSteps = this.vwr.getBoolean (603979811); -this.cartoonLadders = this.vwr.getBoolean (603979818); -this.cartoonRibose = this.vwr.getBoolean (603979819); +this.cartoonLadders = this.vwr.getBoolean (603979817); +this.cartoonRibose = this.vwr.getBoolean (603979818); this.blockHeight = this.vwr.getFloat (570425347); var isTraceAlpha = this.vwr.getBoolean (603979966); var bsVisible = this.bsr.bsVisible; diff --git a/qmpy/web/static/js/jsmol/j2s/J/renderspecial/DipolesRenderer.js b/qmpy/web/static/js/jsmol/j2s/J/renderspecial/DipolesRenderer.js index 79b9f568..e8236392 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/renderspecial/DipolesRenderer.js +++ b/qmpy/web/static/js/jsmol/j2s/J/renderspecial/DipolesRenderer.js @@ -31,7 +31,7 @@ this.cross1 = new JU.P3 (); Clazz.overrideMethod (c$, "render", function () { var dipoles = this.shape; -this.dipoleVectorScale = this.vwr.getFloat (570425355); +this.dipoleVectorScale = this.vwr.getFloat (570425354); var needTranslucent = false; var vis = this.vwr.ms.getVisibleSet (false); for (var i = dipoles.dipoleCount; --i >= 0; ) { diff --git a/qmpy/web/static/js/jsmol/j2s/J/renderspecial/DrawRenderer.js b/qmpy/web/static/js/jsmol/j2s/J/renderspecial/DrawRenderer.js index 33c0816c..dee14357 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/renderspecial/DrawRenderer.js +++ b/qmpy/web/static/js/jsmol/j2s/J/renderspecial/DrawRenderer.js @@ -252,7 +252,7 @@ this.pt0.x *= this.vwr.tm.width / 100; this.pt0.y *= this.vwr.tm.height / 100; this.diameter = Clazz.floatToInt (this.diameter * this.vwr.getScreenDim () / 100); }this.diameter *= f; -this.pt1i.set (Clazz.floatToInt (this.pt0.x * f), Clazz.floatToInt (this.vwr.tm.height - this.pt0.y * f), Clazz.floatToInt (this.vwr.tm.cameraDistance)); +this.pt1i.set (Clazz.floatToInt (this.pt0.x), Clazz.floatToInt (this.vwr.tm.height - this.pt0.y), Clazz.floatToInt (this.vwr.tm.cameraDistance)); this.g3d.fillSphereI (this.diameter, this.pt1i); }); Clazz.defineMethod (c$, "renderXyArrow", @@ -346,7 +346,7 @@ Clazz.defineMethod (c$, "renderInfo", function () { if (this.isExport || this.mesh.title == null || this.vwr.getDrawHover () || !this.g3d.setC (this.vwr.cm.colixBackgroundContrast)) return; for (var i = this.dmesh.pc; --i >= 0; ) if (this.isPolygonDisplayable (i)) { -var size = this.vwr.getFloat (570425356); +var size = this.vwr.getFloat (570425355); if (size <= 0) size = 14; this.vwr.gdata.setFontFid (this.vwr.gdata.getFontFid (size * this.imageFontScaling)); var s = this.mesh.title[i < this.mesh.title.length ? i : this.mesh.title.length - 1]; diff --git a/qmpy/web/static/js/jsmol/j2s/J/rendersurface/IsosurfaceRenderer.js b/qmpy/web/static/js/jsmol/j2s/J/rendersurface/IsosurfaceRenderer.js index 9d887a8f..11eaf3a3 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/rendersurface/IsosurfaceRenderer.js +++ b/qmpy/web/static/js/jsmol/j2s/J/rendersurface/IsosurfaceRenderer.js @@ -223,7 +223,7 @@ var cX = (this.showNumbers ? Clazz.doubleToInt (this.vwr.getScreenWidth () / 2) var cY = (this.showNumbers ? Clazz.doubleToInt (this.vwr.getScreenHeight () / 2) : 0); if (this.showNumbers) this.vwr.gdata.setFontFid (this.vwr.gdata.getFontFidFS ("Monospaced", 24)); for (var i = (!this.imesh.hasGridPoints || this.imesh.firstRealVertex < 0 ? 0 : this.imesh.firstRealVertex); i < this.vertexCount; i += incr) { -if (this.vertexValues != null && Float.isNaN (this.vertexValues[i]) || this.frontOnly && !this.isVisibleNormix (this.normixes[i]) || this.imesh.jvxlData.thisSet >= 0 && this.mesh.vertexSets[i] != this.imesh.jvxlData.thisSet || !this.mesh.isColorSolid && this.mesh.vcs != null && !this.setColix (this.mesh.vcs[i]) || this.haveBsDisplay && !this.mesh.bsDisplay.get (i) || slabPoints && !this.bsPolygons.get (i)) continue; +if (this.vertexValues != null && Float.isNaN (this.vertexValues[i]) || this.frontOnly && !this.isVisibleNormix (this.normixes[i]) || this.imesh.jvxlData.thisSet != null && !this.imesh.jvxlData.thisSet.get (this.mesh.vertexSets[i]) || !this.mesh.isColorSolid && this.mesh.vcs != null && !this.setColix (this.mesh.vcs[i]) || this.haveBsDisplay && !this.mesh.bsDisplay.get (i) || slabPoints && !this.bsPolygons.get (i)) continue; this.hasColorRange = true; if (this.showNumbers && this.screens[i].z > 10 && Math.abs (this.screens[i].x - cX) < 150 && Math.abs (this.screens[i].y - cY) < 150) { var s = i + (this.mesh.isColorSolid ? "" : " " + this.mesh.vvs[i]); @@ -284,7 +284,7 @@ if (polygon == null || this.selectedPolyOnly && !this.bsPolygons.get (i)) contin var iA = polygon[0]; var iB = polygon[1]; var iC = polygon[2]; -if (this.imesh.jvxlData.thisSet >= 0 && this.mesh.vertexSets != null && this.mesh.vertexSets[iA] != this.imesh.jvxlData.thisSet) continue; +if (this.imesh.jvxlData.thisSet != null && this.mesh.vertexSets != null && !this.imesh.jvxlData.thisSet.get (this.mesh.vertexSets[iA])) continue; if (this.haveBsDisplay && (!this.mesh.bsDisplay.get (iA) || !this.mesh.bsDisplay.get (iB) || !this.mesh.bsDisplay.get (iC))) continue; var nA = this.normixes[iA]; var nB = this.normixes[iB]; diff --git a/qmpy/web/static/js/jsmol/j2s/J/shape/AtomShape.js b/qmpy/web/static/js/jsmol/j2s/J/shape/AtomShape.js index b5a028c9..3831a517 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shape/AtomShape.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shape/AtomShape.js @@ -127,8 +127,9 @@ return n; }, "~N,~N"); Clazz.defineMethod (c$, "setColixAndPalette", function (colix, paletteID, atomIndex) { -if (this.colixes == null) System.out.println ("ATOMSHAPE ERROR"); -this.colixes[atomIndex] = colix = this.getColixI (colix, paletteID, atomIndex); +if (this.colixes == null) { +this.checkColixLength (-1, this.ac); +}this.colixes[atomIndex] = colix = this.getColixI (colix, paletteID, atomIndex); this.bsColixSet.setBitTo (atomIndex, colix != 0 || this.shapeID == 0); this.paletteIDs[atomIndex] = paletteID; }, "~N,~N,~N"); @@ -137,7 +138,7 @@ function () { if (!this.isActive) return; for (var i = this.ac; --i >= 0; ) { var atom = this.atoms[i]; -if ((atom.shapeVisibilityFlags & this.vf) == 0 || this.ms.isAtomHidden (i)) continue; +if (atom == null || (atom.shapeVisibilityFlags & this.vf) == 0 || this.ms.isAtomHidden (i)) continue; atom.setClickable (this.vf); } }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/shape/Balls.js b/qmpy/web/static/js/jsmol/j2s/J/shape/Balls.js index 85c586c9..f1fd7bdd 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shape/Balls.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shape/Balls.js @@ -82,6 +82,7 @@ function () { var bsDeleted = this.vwr.slm.bsDeleted; for (var i = this.ac; --i >= 0; ) { var atom = this.atoms[i]; +if (atom == null) continue; atom.setClickable (0); if (bsDeleted != null && bsDeleted.get (i) || (atom.shapeVisibilityFlags & this.vf) == 0 || this.ms.isAtomHidden (i)) continue; atom.setClickable (this.vf); diff --git a/qmpy/web/static/js/jsmol/j2s/J/shape/Halos.js b/qmpy/web/static/js/jsmol/j2s/J/shape/Halos.js index 163dba36..39d38898 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shape/Halos.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shape/Halos.js @@ -29,7 +29,7 @@ JU.BSUtil.deleteBits (this.bsHighlight, bs); Clazz.overrideMethod (c$, "setModelVisibilityFlags", function (bs) { var bsSelected = (this.vwr.getSelectionHalosEnabled () ? this.vwr.bsA () : null); -for (var i = this.ac; --i >= 0; ) this.atoms[i].setShapeVisibility (this.vf, bsSelected != null && bsSelected.get (i) || this.mads != null && this.mads[i] != 0); +for (var i = this.ac; --i >= 0; ) if (this.atoms[i] != null) this.atoms[i].setShapeVisibility (this.vf, bsSelected != null && bsSelected.get (i) || this.mads != null && this.mads[i] != 0); }, "JU.BS"); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/shape/Labels.js b/qmpy/web/static/js/jsmol/j2s/J/shape/Labels.js index c534f573..7740e540 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shape/Labels.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shape/Labels.js @@ -143,6 +143,7 @@ return; }if ("offset" === propertyName) { if (!(Clazz.instanceOf (value, Integer))) { if (!this.setDefaults) { +this.checkColixLength (-1, this.ac); for (var i = bsSelected.nextSetBit (0); i >= 0 && i < this.ac; i = bsSelected.nextSetBit (i + 1)) this.setPymolOffset (i, value); }return; @@ -417,7 +418,7 @@ function () { if (this.strings == null) return; for (var i = this.strings.length; --i >= 0; ) { var label = this.strings[i]; -if (label != null && this.ms.at.length > i && !this.ms.isAtomHidden (i)) this.ms.at[i].setClickable (this.vf); +if (label != null && this.ms.at.length > i && this.ms.at[i] != null && !this.ms.isAtomHidden (i)) this.ms.at[i].setClickable (this.vf); } }); Clazz.overrideMethod (c$, "checkObjectClicked", diff --git a/qmpy/web/static/js/jsmol/j2s/J/shape/Mesh.js b/qmpy/web/static/js/jsmol/j2s/J/shape/Mesh.js index 855ccadf..8b0439a8 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shape/Mesh.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shape/Mesh.js @@ -355,19 +355,47 @@ function (isAll) { var info = new java.util.Hashtable (); info.put ("id", this.thisID); info.put ("vertexCount", Integer.$valueOf (this.vc)); -info.put ("polygonCount", Integer.$valueOf (this.pc)); info.put ("haveQuads", Boolean.$valueOf (this.haveQuads)); info.put ("haveValues", Boolean.$valueOf (this.vvs != null)); +var np = this.pc; if (isAll) { if (this.vc > 0) { info.put ("vertices", JU.AU.arrayCopyPt (this.vs, this.vc)); if (this.bsSlabDisplay != null) info.put ("bsVertices", this.getVisibleVBS ()); -}if (this.vvs != null) info.put ("vertexValues", JU.AU.arrayCopyF (this.vvs, this.vc)); -if (this.pc > 0) { -info.put ("polygons", JU.AU.arrayCopyII (this.pis, this.pc)); -if (this.bsSlabDisplay != null) info.put ("bsPolygons", this.bsSlabDisplay); -}}return info; +}if (this.vvs != null) { +info.put ("vertexValues", JU.AU.arrayCopyF (this.vvs, this.vc)); +}if (np > 0) { +var ii = J.shape.Mesh.nonNull (this.pis, np); +info.put ("polygons", ii); +np = ii.length; +if (this.bsSlabDisplay != null) { +var bs = (ii.length == this.pc ? JU.BS.copy (this.bsSlabDisplay) : J.shape.Mesh.nonNullBS (this.bsSlabDisplay, this.pis, this.pc)); +info.put ("bsPolygons", bs); +np = bs.cardinality (); +}}}info.put ("polygonCount", Integer.$valueOf (np)); +return info; }, "~B"); +c$.nonNullBS = Clazz.defineMethod (c$, "nonNullBS", + function (bsSlabDisplay, pis, pc) { +var bs = new JU.BS (); +for (var pt = 0, i = 0; i < pc; i++) { +if (pis[i] != null) { +if (bsSlabDisplay.get (i)) bs.set (pt); +pt++; +}} +return bs; +}, "JU.BS,~A,~N"); +c$.nonNull = Clazz.defineMethod (c$, "nonNull", + function (pis, pc) { +var n = 0; +for (var i = pc; --i >= 0; ) if (pis[i] != null) { +n++; +} +var ii = Clazz.newIntArray (n, 0); +if (n > 0) for (var pt = 0, i = 0; i < pc; i++) if (pis[i] != null) ii[pt++] = pis[i]; + +return ii; +}, "~A,~N"); Clazz.defineMethod (c$, "getBoundingBox", function () { return null; diff --git a/qmpy/web/static/js/jsmol/j2s/J/shape/MeshCollection.js b/qmpy/web/static/js/jsmol/j2s/J/shape/MeshCollection.js index 8453176f..dfe5d6c7 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shape/MeshCollection.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shape/MeshCollection.js @@ -1,6 +1,7 @@ Clazz.declarePackage ("J.shape"); Clazz.load (["J.shape.Shape"], "J.shape.MeshCollection", ["java.util.Hashtable", "JU.AU", "$.Lst", "$.P3", "$.PT", "$.SB", "JS.T", "J.shape.Mesh", "JU.C", "$.Escape", "$.Logger", "JV.StateManager"], function () { c$ = Clazz.decorateAsClass (function () { +this.jvxlData = null; this.meshCount = 0; this.meshes = null; this.currentMesh = null; @@ -223,6 +224,7 @@ var key = (this.explicitID && JU.PT.isWild (this.previousMeshID) ? this.previous var list = this.getMeshList (key, false); for (var i = list.size (); --i >= 0; ) this.setMeshTokenProperty (list.get (i), tokProp, bProp, testD); +if (list.size () == 1) this.currentMesh = list.get (0); } else { this.setMeshTokenProperty (this.currentMesh, tokProp, bProp, testD); if (this.linkedMesh != null) this.setMeshTokenProperty (this.linkedMesh, tokProp, bProp, testD); @@ -340,15 +342,29 @@ var info = this.getProperty ("jvxlFileInfo", 0); if (info != null) sb.append (info).appendC ('\n'); }} return sb.toString (); -}if (property === "vertices") return this.getVertices (m); -if (property === "info") return (m == null ? null : m.getInfo (false)); -if (property === "data") return (m == null ? null : m.getInfo (true)); +}if (property === "values") return this.getValues (m); +if (property === "vertices") return this.getVertices (m); +if (property === "info") { +if (m == null) return null; +var info = m.getInfo (false); +if (info != null && this.jvxlData != null) { +var ss = this.jvxlData.jvxlFileTitle; +if (ss != null) info.put ("jvxlFileTitle", ss.trim ()); +ss = this.jvxlData.jvxlFileSource; +if (ss != null) info.put ("jvxlFileSource", ss); +ss = this.jvxlData.jvxlFileMessage; +if (ss != null) info.put ("jvxlFileMessage", ss.trim ()); +}return info; +}if (property === "data") return (m == null ? null : m.getInfo (true)); return null; }, "~S,~N"); +Clazz.defineMethod (c$, "getValues", +function (mesh) { +return (mesh == null ? null : mesh.vvs); +}, "J.shape.Mesh"); Clazz.defineMethod (c$, "getVertices", - function (mesh) { -if (mesh == null) return null; -return mesh.vs; +function (mesh) { +return (mesh == null ? null : mesh.vs); }, "J.shape.Mesh"); Clazz.defineMethod (c$, "clean", function () { diff --git a/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Dots.js b/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Dots.js index 35631e27..79b1c73d 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Dots.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Dots.js @@ -111,7 +111,7 @@ case J.atomdata.RadiusData.EnumType.ABSOLUTE: if (rd.value == 0) isVisible = false; setRadius = rd.value; default: -rd.valueExtended = this.vwr.getCurrentSolventProbeRadius (); +rd.valueExtended = (this.vwr.getBoolean (603979948) ? this.vwr.getFloat (570425394) : 0); } var maxRadius; switch (rd.vdwType) { @@ -138,7 +138,7 @@ var isAll = (bsSelected == null); var i0 = (isAll ? this.ac - 1 : bsSelected.nextSetBit (0)); for (var i = i0; i >= 0; i = (isAll ? i - 1 : bsSelected.nextSetBit (i + 1))) this.bsOn.setBitTo (i, false); -}for (var i = this.ac; --i >= 0; ) this.atoms[i].setShapeVisibility (this.vf, this.bsOn.get (i)); +}for (var i = this.ac; --i >= 0; ) if (this.atoms[i] != null) this.atoms[i].setShapeVisibility (this.vf, this.bsOn.get (i)); if (!isVisible) return; if (newSet) { @@ -146,7 +146,7 @@ this.mads = null; this.ec.newSet (); }var dotsConvexMaps = this.ec.getDotsConvexMaps (); if (dotsConvexMaps != null) { -for (var i = this.ac; --i >= 0; ) if (this.bsOn.get (i)) { +for (var i = this.ac; --i >= 0; ) if (this.atoms[i] != null && this.bsOn.get (i)) { dotsConvexMaps[i] = null; } }if (dotsConvexMaps == null && (this.colixes == null || this.colixes.length != this.ac)) this.checkColixLength (4, this.ac); @@ -157,7 +157,7 @@ Clazz.overrideMethod (c$, "setAtomClickability", function () { for (var i = this.ac; --i >= 0; ) { var atom = this.atoms[i]; -if ((atom.shapeVisibilityFlags & this.vf) == 0 || this.ms.isAtomHidden (i)) continue; +if (atom != null && ((atom.shapeVisibilityFlags & this.vf) == 0 || this.ms.isAtomHidden (i))) continue; atom.setClickable (this.vf); } }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Ellipsoid.js b/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Ellipsoid.js index 90db3fc9..e3823269 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Ellipsoid.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Ellipsoid.js @@ -9,6 +9,7 @@ this.tensor = null; this.options = null; this.isOn = true; this.id = null; +this.myID = 0; this.modelIndex = 0; this.pid = 0; this.lengths = null; @@ -21,6 +22,7 @@ Clazz.instantialize (this, arguments); }, J.shapespecial, "Ellipsoid"); Clazz.prepareFields (c$, function () { this.center = JU.P3.new3 (0, 0, 0); +this.myID = ++J.shapespecial.Ellipsoid.ID; }); Clazz.makeConstructor (c$, function () { @@ -122,5 +124,6 @@ mDeriv.m13 = coef[7]; mDeriv.m23 = coef[8]; }, "~N,~N,~N,JU.M3,JU.V3,JU.M3,~A,JU.M4"); Clazz.defineStatics (c$, +"ID", 0, "crtval", Clazz.newFloatArray (-1, [0.3389, 0.4299, 0.4951, 0.5479, 0.5932, 0.6334, 0.6699, 0.7035, 0.7349, 0.7644, 0.7924, 0.8192, 0.8447, 0.8694, 0.8932, 0.9162, 0.9386, 0.9605, 0.9818, 1.0026, 1.0230, 1.0430, 1.0627, 1.0821, 1.1012, 1.1200, 1.1386, 1.1570, 1.1751, 1.1932, 1.2110, 1.2288, 1.2464, 1.2638, 1.2812, 1.2985, 1.3158, 1.3330, 1.3501, 1.3672, 1.3842, 1.4013, 1.4183, 1.4354, 1.4524, 1.4695, 1.4866, 1.5037, 1.5209, 1.5382, 1.5555, 1.5729, 1.5904, 1.6080, 1.6257, 1.6436, 1.6616, 1.6797, 1.6980, 1.7164, 1.7351, 1.7540, 1.7730, 1.7924, 1.8119, 1.8318, 1.8519, 1.8724, 1.8932, 1.9144, 1.9360, 1.9580, 1.9804, 2.0034, 2.0269, 2.0510, 2.0757, 2.1012, 2.1274, 2.1544, 2.1824, 2.2114, 2.2416, 2.2730, 2.3059, 2.3404, 2.3767, 2.4153, 2.4563, 2.5003, 2.5478, 2.5997, 2.6571, 2.7216, 2.7955, 2.8829, 2.9912, 3.1365, 3.3682])); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Ellipsoids.js b/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Ellipsoids.js index 6e6c694c..4abe682c 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Ellipsoids.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Ellipsoids.js @@ -279,7 +279,7 @@ for (var e, $e = this.atomEllipsoids.values ().iterator (); $e.hasNext () && ((e var iType = e.tensor.iType; if (bsDone.get (iType + 1)) continue; bsDone.set (iType + 1); -var isADP = (e.tensor.iType == 1); +var isADP = (e.tensor.iType == 1 || e.tensor.iType == 0); var cmd = (isADP ? null : "Ellipsoids set " + JU.PT.esc (e.tensor.type)); for (var e2, $e2 = this.atomEllipsoids.values ().iterator (); $e2.hasNext () && ((e2 = $e2.next ()) || true);) { if (e2.tensor.iType != iType || isADP && !e2.isOn) continue; diff --git a/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Polyhedra.js b/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Polyhedra.js index f907c295..82d481f2 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Polyhedra.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Polyhedra.js @@ -319,6 +319,12 @@ p = this.findPoly (id, iatom, true); if (p == null) return false; data[1] = p.getInfo (this.vwr, "info"); return true; +}if (property === "syminfo") { +p = this.findPoly (id, iatom, true); +if (p == null) return false; +p.getSymmetry (this.vwr, true); +data[1] = p.getInfo (this.vwr, "info"); +return true; }if (property === "points") { p = this.findPoly (id, iatom, false); if (p == null) return false; @@ -360,7 +366,7 @@ if (smiles == null) { bs.set (iatom); continue; }p.getSymmetry (this.vwr, false); -var smiles0 = p.polySmiles; +var smiles0 = sm.cleanSmiles (p.polySmiles); try { if (sm.areEqual (smiles, smiles0) > 0) bs.set (iatom); } catch (e) { @@ -484,6 +490,7 @@ if (p.centralAtom != null) this.atoms[p.centralAtom.i].setShapeVisibility (this. Clazz.defineMethod (c$, "buildPolyhedra", function () { var p = null; +if (this.centers == null) return; if (this.thisID != null) { if (JU.PT.isWild (this.thisID)) return; if (this.center != null) { diff --git a/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Polyhedron.js b/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Polyhedron.js index dffcc3b0..7bda181c 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Polyhedron.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shapespecial/Polyhedron.js @@ -278,9 +278,9 @@ this.info = null; var sm = vwr.getSmilesMatcher (); try { var details = (this.distanceRef <= 0 ? null : "r=" + this.distanceRef); -this.smarts = sm.polyhedronToSmiles (this.centralAtom, this.faces, this.nVertices, null, 8192, null); +this.polySmiles = sm.polyhedronToSmiles (this.centralAtom, this.faces, this.nVertices, this.vertices, 1 | 65536 | (JU.Logger.debugging ? 131072 : 0), details); +this.smarts = sm.polyhedronToSmiles (this.centralAtom, this.faces, this.nVertices, null, 16384, null); this.smiles = sm.polyhedronToSmiles (this.centralAtom, this.faces, this.nVertices, this.vertices, 1, null); -this.polySmiles = sm.polyhedronToSmiles (this.centralAtom, this.faces, this.nVertices, this.vertices, 196609, details); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { } else { diff --git a/qmpy/web/static/js/jsmol/j2s/J/shapesurface/Contact.js b/qmpy/web/static/js/jsmol/j2s/J/shapesurface/Contact.js index 396cf4de..5f156814 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shapesurface/Contact.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shapesurface/Contact.js @@ -46,7 +46,7 @@ this.jvxlData.mappedDataMax = minmax[1]; Clazz.overrideMethod (c$, "setProperty", function (propertyName, value, bs) { if ("set" === propertyName) { -this.setContacts (value, !this.vwr.getBoolean (603979965)); +this.setContacts (value, true); return; }if ("init" === propertyName) { this.translucentLevel = 0; diff --git a/qmpy/web/static/js/jsmol/j2s/J/shapesurface/Isosurface.js b/qmpy/web/static/js/jsmol/j2s/J/shapesurface/Isosurface.js index bd25a888..6c33c8a8 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shapesurface/Isosurface.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shapesurface/Isosurface.js @@ -18,7 +18,6 @@ this.isPhaseColored = false; this.isColorExplicit = false; this.scriptAppendix = ""; this.sg = null; -this.jvxlData = null; this.withinDistance2 = 0; this.isWithinNot = false; this.withinPoints = null; @@ -266,6 +265,11 @@ return; if (this.sg != null) this.sg.params.isMapped = true; this.setProperty ("squareData", Boolean.FALSE, null); if (this.thisMesh == null || this.thisMesh.vc == 0) return; +}if ("probes" === propertyName) { +if (this.sg != null) { +this.sg.params.probes = value; +this.sg.params.probeValues = Clazz.newFloatArray (this.sg.params.probes.length, 0); +}return; }if ("deleteVdw" === propertyName) { for (var i = this.meshCount; --i >= 0; ) if (this.isomeshes[i].bsVdw != null && (bs == null || bs.intersects (this.isomeshes[i].bsVdw))) this.deleteMeshI (i); @@ -303,7 +307,17 @@ if (this.sg.params.state == 2) this.setScriptInfo (null); this.newSg (); } else if ("getSurfaceSets" === propertyName) { if (this.thisMesh != null) { -this.thisMesh.jvxlData.thisSet = (value).intValue (); +var bsSets; +if (Clazz.instanceOf (value, JU.BS)) { +bsSets = (value); +if (bsSets.cardinality () == 0) bsSets = null; +} else { +bsSets = new JU.BS (); +var a = value; +for (var i = a.length; --i >= 0; ) { +if (a[i] > 0) bsSets.set (a[i] - 1); +} +}this.thisMesh.jvxlData.thisSet = bsSets; this.thisMesh.calculatedVolume = null; this.thisMesh.calculatedArea = null; }} else if ("localName" === propertyName) { @@ -472,6 +486,7 @@ if (this.sg != null) this.sg.setJvxlData (this.jvxlData); }, "~S,~O,JU.BS"); Clazz.overrideMethod (c$, "getPropertyData", function (property, data) { +var m; if (property === "keys") { var keys = (Clazz.instanceOf (data[1], JU.Lst) ? data[1] : new JU.Lst ()); data[1] = keys; @@ -479,17 +494,17 @@ keys.addLast ("info"); keys.addLast ("data"); keys.addLast ("atoms"); }if (property === "colorEncoder") { -var mesh = this.getMesh (data[0]); -return (mesh != null && (data[1] = mesh.colorEncoder) != null); +m = this.getMesh (data[0]); +return (m != null && (data[1] = m.colorEncoder) != null); }if (property === "intersectPlane") { -var mesh = this.getMesh (data[0]); -if (mesh == null || data.length < 4) return false; -data[3] = Integer.$valueOf (mesh.modelIndex); -mesh.getMeshSlicer ().getIntersection (0, data[1], null, data[2], null, null, null, false, false, 134217750, false); +m = this.getMesh (data[0]); +if (m == null || data.length < 4) return false; +data[3] = Integer.$valueOf (m.modelIndex); +m.getMeshSlicer ().getIntersection (0, data[1], null, data[2], null, null, null, false, false, 134217750, false); return true; }if (property === "getBoundingBox") { var id = data[0]; -var m = this.getMesh (id); +m = this.getMesh (id); if (m == null || m.vs == null) return false; data[2] = m.jvxlData.boundingBox; if (m.mat4 != null) { @@ -503,13 +518,13 @@ d[1].add (v); data[2] = d; }return true; }if (property === "unitCell") { -var m = this.getMesh (data[0]); +m = this.getMesh (data[0]); return (m != null && (data[1] = m.getUnitCell ()) != null); }if (property === "getCenter") { var index = (data[1]).intValue (); if (index == -2147483648) { var id = data[0]; -var m = this.getMesh (id); +m = this.getMesh (id); if (m == null || m.vs == null) return false; var p = JU.P3.newP (m.jvxlData.boundingBox[0]); p.add (m.jvxlData.boundingBox[1]); @@ -528,8 +543,8 @@ return this.getPropI (property, index); }, "~S,~N"); Clazz.defineMethod (c$, "getPropI", function (property, index) { -var thisMesh = this.thisMesh; -if (index >= 0 && (index >= this.meshCount || (thisMesh = this.isomeshes[index]) == null)) return null; +var m = this.thisMesh; +if (index >= 0 && (index >= this.meshCount || (m = this.isomeshes[index]) == null)) return null; var ret = this.getPropMC (property, index); if (ret != null) return ret; if (property === "message") { @@ -541,46 +556,55 @@ if (this.shapeID == 27 || this.shapeID == 28) return s; if (this.jvxlData.dataMin != 3.4028235E38) s += " min=" + this.jvxlData.dataMin + " max=" + this.jvxlData.dataMax; s += "; " + JV.JC.shapeClassBases[this.shapeID].toLowerCase () + " count: " + this.getPropMC ("count", index); return s + this.getPropI ("dataRangeStr", index) + this.jvxlData.msg; -}if (property === "dataRange") return this.getDataRange (thisMesh); +}if (property === "dataRange") return this.getDataRange (m); if (property === "dataRangeStr") { -var dataRange = this.getDataRange (thisMesh); +var dataRange = this.getDataRange (m); return (dataRange != null && dataRange[0] != 3.4028235E38 && dataRange[0] != dataRange[1] ? "\nisosurface full data range " + dataRange[0] + " to " + dataRange[1] + " with color scheme spanning " + dataRange[2] + " to " + dataRange[3] : ""); }if (property === "moNumber") return Integer.$valueOf (this.moNumber); if (property === "moLinearCombination") return this.moLinearCombination; -if (property === "nSets") return Integer.$valueOf (thisMesh == null ? 0 : thisMesh.nSets); -if (property === "area") return (thisMesh == null ? Float.$valueOf (NaN) : this.calculateVolumeOrArea (thisMesh, true)); -if (property === "volume") return (thisMesh == null ? Float.$valueOf (NaN) : this.calculateVolumeOrArea (thisMesh, false)); -if (thisMesh == null) return null; -if (property === "cutoff") return Float.$valueOf (this.jvxlData.cutoff); +if (property === "nSets") { +var n = (m == null ? -2147483648 : m.nSets); +if (n == 0) { +this.calculateVolumeOrArea (m, true); +n = m.nSets; +}return Integer.$valueOf (n == -2147483648 ? 0 : Math.abs (m.nSets)); +}if (property === "area") return (m == null ? Float.$valueOf (NaN) : this.calculateVolumeOrArea (m, true)); +if (property === "volume") return (m == null ? Float.$valueOf (NaN) : this.calculateVolumeOrArea (m, false)); +if (m == null) return null; +if (property === "output") { +return (m.jvxlData.sbOut == null && m.jvxlData.jvxlFileTitle == null ? null : m.jvxlData.jvxlFileTitle + "\n" + (m.jvxlData.sbOut == null ? "" : m.jvxlData.sbOut.toString ())); +}if (property === "cutoff") return Float.$valueOf (this.jvxlData.cutoff); if (property === "minMaxInfo") return Clazz.newFloatArray (-1, [this.jvxlData.dataMin, this.jvxlData.dataMax]); if (property === "plane") return this.jvxlData.jvxlPlane; -if (property === "contours") return thisMesh.getContours (); -if (property === "pmesh" || property === "pmeshbin") return thisMesh.getPmeshData (property === "pmeshbin"); +if (property === "contours") return m.getContours (); +if (property === "pmesh" || property === "pmeshbin") return m.getPmeshData (property === "pmeshbin"); if (property === "jvxlDataXml" || property === "jvxlMeshXml") { var meshData = null; this.jvxlData.slabInfo = null; -if (property === "jvxlMeshXml" || this.jvxlData.vertexDataOnly || thisMesh.bsSlabDisplay != null && thisMesh.bsSlabGhost == null) { +if (property === "jvxlMeshXml" || this.jvxlData.vertexDataOnly || m.bsSlabDisplay != null && m.bsSlabGhost == null) { meshData = new J.jvxl.data.MeshData (); -this.fillMeshData (meshData, 1, thisMesh); +this.fillMeshData (meshData, 1, m); meshData.polygonColorData = J.shapesurface.Isosurface.getPolygonColorData (meshData.pc, meshData.pcs, (meshData.colorsExplicit ? meshData.pis : null), meshData.bsSlabDisplay); -} else if (thisMesh.bsSlabGhost != null) { -this.jvxlData.slabInfo = thisMesh.slabOptions.toString (); +} else if (m.bsSlabGhost != null) { +this.jvxlData.slabInfo = m.slabOptions.toString (); }var sb = new JU.SB (); -this.getMeshCommand (sb, thisMesh.index); -thisMesh.setJvxlColorMap (true); +this.getMeshCommand (sb, m.index); +m.setJvxlColorMap (true); return J.jvxl.data.JvxlCoder.jvxlGetFile (this.jvxlData, meshData, this.title, "", true, 1, sb.toString (), null); }if (property === "jvxlFileInfo") { return J.jvxl.data.JvxlCoder.jvxlGetInfo (this.jvxlData); }if (property === "command") { var sb = new JU.SB (); -var list = this.getMeshList ((index < 0 ? this.previousMeshID : thisMesh.thisID), false); +var list = this.getMeshList ((index < 0 ? this.previousMeshID : m.thisID), false); for (var i = list.size (); --i >= 0; ) this.getMeshCommand (sb, i); return sb.toString (); }if (property === "atoms") { -return thisMesh.surfaceAtoms; -}if (property === "colorEncoder") return thisMesh.colorEncoder; -return null; +return m.surfaceAtoms; +}if (property === "colorEncoder") return m.colorEncoder; +if (property === "values" || property === "value") { +return m.probeValues; +}return null; }, "~S,~N"); Clazz.defineMethod (c$, "getDataRange", function (mesh) { @@ -648,6 +672,7 @@ var modelCount = this.vwr.ms.mc; if (modelCount > 1) J.shape.Shape.appendCmd (sb, "frame " + this.vwr.getModelNumberDotted (imesh.modelIndex)); cmd = JU.PT.rep (cmd, ";; isosurface map", " map"); cmd = JU.PT.rep (cmd, "; isosurface map", " map"); +if (cmd.endsWith (" map")) cmd = cmd.substring (0, cmd.length - 4); cmd = cmd.$replace ('\t', ' '); cmd = JU.PT.rep (cmd, ";#", "; #"); var pt = cmd.indexOf ("; #"); @@ -658,8 +683,9 @@ if (imesh.linkedMesh != null) cmd += " LINK"; if (this.myType === "lcaoCartoon" && imesh.atomIndex >= 0) cmd += " ATOMINDEX " + imesh.atomIndex; J.shape.Shape.appendCmd (sb, cmd); var id = this.myType + " ID " + JU.PT.esc (imesh.thisID); -if (imesh.jvxlData.thisSet >= 0) J.shape.Shape.appendCmd (sb, id + " set " + (imesh.jvxlData.thisSet + 1)); -if (imesh.mat4 != null && !imesh.isModelConnected) J.shape.Shape.appendCmd (sb, id + " move " + JU.Escape.matrixToScript (imesh.mat4)); +if (imesh.jvxlData.thisSet != null && imesh.jvxlData.thisSet.cardinality () > 0) { +J.shape.Shape.appendCmd (sb, id + (imesh.jvxlData.thisSet.cardinality () == 1 ? " set " + (imesh.jvxlData.thisSet.nextSetBit (0) + 1) : " subset " + imesh.jvxlData.thisSet)); +}if (imesh.mat4 != null && !imesh.isModelConnected) J.shape.Shape.appendCmd (sb, id + " move " + JU.Escape.matrixToScript (imesh.mat4)); if (imesh.scale3d != 0) J.shape.Shape.appendCmd (sb, id + " scale3d " + imesh.scale3d); if (imesh.jvxlData.slabValue != -2147483648) J.shape.Shape.appendCmd (sb, id + " slab " + imesh.jvxlData.slabValue); if (imesh.slabOptions != null) J.shape.Shape.appendCmd (sb, imesh.slabOptions.toString ()); @@ -962,6 +988,7 @@ this.thisMesh.vertexSource = this.sg.params.vertexSource; this.thisMesh.oabc = this.sg.getOriginVaVbVc (); this.thisMesh.calculatedArea = null; this.thisMesh.calculatedVolume = null; +this.thisMesh.probeValues = this.sg.params.probeValues; if (!this.thisMesh.isMerged) { this.thisMesh.initialize (this.sg.params.isFullyLit () ? 1073741964 : 1073741958, null, this.sg.params.thePlane); if (this.jvxlData.fixedLattice != null) { @@ -1266,6 +1293,14 @@ var sb = new JU.SB ().append ("\n"); this.getMeshCommand (sb, index); return (sb.toString ()); }, "~N"); +Clazz.overrideMethod (c$, "getValues", +function (mesh) { +return (mesh == null ? null : (mesh).getValidValues (null)); +}, "J.shape.Mesh"); +Clazz.overrideMethod (c$, "getVertices", +function (mesh) { +return (mesh == null ? null : (mesh).getValidVertices (null)); +}, "J.shape.Mesh"); Clazz.defineStatics (c$, "MAX_OBJECT_CLICK_DISTANCE_SQUARED", 100); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/shapesurface/IsosurfaceMesh.js b/qmpy/web/static/js/jsmol/j2s/J/shapesurface/IsosurfaceMesh.js index dfbf3a43..fa6b7fa0 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shapesurface/IsosurfaceMesh.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shapesurface/IsosurfaceMesh.js @@ -18,6 +18,7 @@ this.contourColixes = null; this.colorEncoder = null; this.bsVdw = null; this.colorPhased = false; +this.probeValues = null; Clazz.instantialize (this, arguments); }, J.shapesurface, "IsosurfaceMesh", J.shape.Mesh); Clazz.overrideMethod (c$, "getResolution", @@ -26,6 +27,7 @@ return 1 / this.jvxlData.pointsPerAngstrom; }); Clazz.makeConstructor (c$, function (vwr, thisID, colix, index) { +Clazz.superConstructor (this, J.shapesurface.IsosurfaceMesh, []); this.mesh1 (vwr, thisID, colix, index); this.jvxlData = new J.jvxl.data.JvxlData (); this.checkByteCount = 2; @@ -620,7 +622,7 @@ if (d2 < 5) return 1e-10; Clazz.overrideMethod (c$, "getVisibleVertexBitSet", function () { var bs = this.getVisibleVBS (); -if (this.jvxlData.thisSet >= 0) for (var i = 0; i < this.vc; i++) if (this.vertexSets[i] != this.jvxlData.thisSet) bs.clear (i); +if (this.jvxlData.thisSet != null) for (var i = 0; i < this.vc; i++) if (!this.jvxlData.thisSet.get (this.vertexSets[i])) bs.clear (i); return bs; }); @@ -654,4 +656,54 @@ Clazz.defineMethod (c$, "getDataRange", function () { return (this.jvxlData.jvxlPlane != null && this.colorEncoder == null ? null : Clazz.newFloatArray (-1, [this.jvxlData.mappedDataMin, this.jvxlData.mappedDataMax, (this.jvxlData.isColorReversed ? this.jvxlData.valueMappedToBlue : this.jvxlData.valueMappedToRed), (this.jvxlData.isColorReversed ? this.jvxlData.valueMappedToRed : this.jvxlData.valueMappedToBlue)])); }); +Clazz.defineMethod (c$, "getInfo", +function (isAll) { +var info = Clazz.superCall (this, J.shapesurface.IsosurfaceMesh, "getInfo", [isAll]); +if (isAll) { +var bs = new JU.BS (); +var valid = this.getValidVertices (bs); +if (valid != null) { +info.put ("allVertices", info.get ("vertices")); +info.put ("vertices", valid); +var values = info.get ("vertexValues"); +if (values != null) { +var v = this.getValidValues (bs); +info.put ("allValues", values); +info.put ("vertexValues", v); +}}}return info; +}, "~B"); +Clazz.defineMethod (c$, "getValidValues", +function (bs) { +if (bs == null) this.getInvalidBS (bs = new JU.BS ()); +var n = this.vc - bs.cardinality (); +var v = Clazz.newFloatArray (n, 0); +for (var pt = 0, i = bs.nextClearBit (0); i >= 0 && i < this.vc; i = bs.nextClearBit (i + 1)) v[pt++] = this.vvs[i]; + +return v; +}, "JU.BS"); +Clazz.defineMethod (c$, "getValidVertices", +function (bs) { +var allowNull = (bs != null); +if (bs == null) bs = new JU.BS (); +this.getInvalidBS (bs); +var n = this.vc - bs.cardinality (); +if (n == this.vc && allowNull) { +return null; +}var pa = new Array (n); +for (var pt = 0, i = bs.nextClearBit (0); i >= 0 && pt < n; i = bs.nextClearBit (i + 1)) { +pa[pt++] = this.vs[i]; +} +return pa; +}, "JU.BS"); +Clazz.defineMethod (c$, "getInvalidBS", + function (bs) { +var excluded = this.jvxlData.jvxlExcluded; +var invalid = excluded[1]; +var thisSet = this.jvxlData.thisSet; +if (invalid != null) bs.or (invalid); +if (thisSet != null) { +for (var i = this.vc; --i >= 0; ) { +if (!thisSet.get (this.vertexSets[i])) bs.set (i); +} +}}, "JU.BS"); }); diff --git a/qmpy/web/static/js/jsmol/j2s/J/shapesurface/MolecularOrbital.js b/qmpy/web/static/js/jsmol/j2s/J/shapesurface/MolecularOrbital.js index ed1b3287..86d4562a 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shapesurface/MolecularOrbital.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shapesurface/MolecularOrbital.js @@ -290,6 +290,7 @@ Clazz.defineMethod (c$, "getSettings", function (strID) { this.thisModel = this.htModels.get (strID); if (this.thisModel == null || this.thisModel.get ("moNumber") == null) return false; +this.nboType = this.thisModel.get ("nboType"); this.moTranslucency = this.thisModel.get ("moTranslucency"); this.moTranslucentLevel = this.thisModel.get ("moTranslucentLevel"); this.moPlane = this.thisModel.get ("moPlane"); @@ -300,7 +301,6 @@ this.moCutoff = Float.$valueOf (0.05); }this.thisModel.put ("moCutoff", Float.$valueOf (this.moCutoff.floatValue ())); this.moResolution = this.thisModel.get ("moResolution"); this.moScale = this.thisModel.get ("moScale"); -this.nboType = this.thisModel.get ("moType"); this.moColorPos = this.thisModel.get ("moColorPos"); this.moColorNeg = this.thisModel.get ("moColorNeg"); this.moSquareData = this.thisModel.get ("moSquareData"); diff --git a/qmpy/web/static/js/jsmol/j2s/J/shapesurface/PMeshWriter.js b/qmpy/web/static/js/jsmol/j2s/J/shapesurface/PMeshWriter.js index ac38ef94..9c8ef524 100644 --- a/qmpy/web/static/js/jsmol/j2s/J/shapesurface/PMeshWriter.js +++ b/qmpy/web/static/js/jsmol/j2s/J/shapesurface/PMeshWriter.js @@ -101,7 +101,7 @@ Clazz.defineMethod (c$, "checkPoints", var slabPoints = ((this.imesh.pc == 0) && this.selectedPolyOnly); var incr = this.imesh.vertexIncrement; for (var i = (!this.imesh.hasGridPoints || this.imesh.firstRealVertex < 0 ? 0 : this.imesh.firstRealVertex); i < this.vertexCount; i += incr) { -if (this.vertexValues != null && Float.isNaN (this.vertexValues[i]) || this.imesh.jvxlData.thisSet >= 0 && this.imesh.vertexSets[i] != this.imesh.jvxlData.thisSet || !this.imesh.isColorSolid || this.haveBsDisplay && !this.imesh.bsDisplay.get (i) || slabPoints && !this.bsPolygons.get (i)) continue; +if (this.vertexValues != null && Float.isNaN (this.vertexValues[i]) || this.imesh.jvxlData.thisSet != null && !this.imesh.jvxlData.thisSet.get (this.imesh.vertexSets[i]) || !this.imesh.isColorSolid || this.haveBsDisplay && !this.imesh.bsDisplay.get (i) || slabPoints && !this.bsPolygons.get (i)) continue; bsVert.set (i); } }, "JU.BS"); @@ -112,7 +112,7 @@ for (var i = this.imesh.pc; --i >= 0; ) { var polygon = this.polygonIndexes[i]; if (polygon == null || this.selectedPolyOnly && !this.bsPolygons.get (i)) continue; var iA = polygon[0]; -if (this.imesh.jvxlData.thisSet >= 0 && this.imesh.vertexSets != null && this.imesh.vertexSets[iA] != this.imesh.jvxlData.thisSet) continue; +if (this.imesh.jvxlData.thisSet != null && this.imesh.vertexSets != null && !this.imesh.jvxlData.thisSet.get (this.imesh.vertexSets[iA])) continue; var iB = polygon[1]; var iC = polygon[2]; if (this.haveBsDisplay && (!this.imesh.bsDisplay.get (iA) || !this.imesh.bsDisplay.get (iB) || !this.imesh.bsDisplay.get (iC))) continue; diff --git a/qmpy/web/static/js/jsmol/j2s/JM/Atom.js b/qmpy/web/static/js/jsmol/j2s/JM/Atom.js index c9614a41..5dd54c8d 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/Atom.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/Atom.js @@ -345,7 +345,7 @@ return type; Clazz.defineMethod (c$, "getBondingRadius", function () { var rr = this.group.chain.model.ms.bondingRadii; -var r = (rr == null ? 0 : rr[this.i]); +var r = (rr == null || this.i >= rr.length ? 0 : rr[this.i]); return (r == 0 ? JU.Elements.getBondingRadius (this.atomicAndIsotopeNumber, this.getFormalCharge ()) : r); }); Clazz.defineMethod (c$, "getVolume", @@ -388,7 +388,7 @@ this.group.setAtomBits (bs); }, "JU.BS"); Clazz.overrideMethod (c$, "getAtomName", function () { -return (this.atomID > 0 ? JM.Group.specialAtomNames[this.atomID] : this.group.chain.model.ms.atomNames[this.i]); +return (this.atomID > 0 ? JM.Group.specialAtomNames[this.atomID] : this.group.chain.model.ms.atomNames == null ? "" : this.group.chain.model.ms.atomNames[this.i]); }); Clazz.overrideMethod (c$, "getAtomType", function () { diff --git a/qmpy/web/static/js/jsmol/j2s/JM/AtomCollection.js b/qmpy/web/static/js/jsmol/j2s/JM/AtomCollection.js index 85b54d80..5d9a032c 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/AtomCollection.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/AtomCollection.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JM"); -Clazz.load (["JU.V3"], "JM.AtomCollection", ["java.lang.Float", "java.util.Arrays", "$.Hashtable", "JU.A4", "$.AU", "$.BS", "$.Lst", "$.M3", "$.Measure", "$.P3", "$.PT", "J.api.Interface", "$.JmolModulationSet", "J.atomdata.RadiusData", "J.c.PAL", "$.VDW", "JM.Group", "JS.T", "JU.BSUtil", "$.Elements", "$.Escape", "$.Logger", "$.Parser", "$.Vibration"], function () { +Clazz.load (["JU.V3"], "JM.AtomCollection", ["java.lang.Float", "java.util.Arrays", "$.Hashtable", "JU.A4", "$.AU", "$.BS", "$.Lst", "$.M3", "$.Measure", "$.P3", "$.PT", "J.api.Interface", "$.JmolModulationSet", "J.atomdata.RadiusData", "J.c.PAL", "$.VDW", "JM.Group", "JS.T", "JU.BSUtil", "$.Elements", "$.Logger", "$.Parser", "$.Vibration"], function () { c$ = Clazz.decorateAsClass (function () { this.vwr = null; this.g3d = null; @@ -168,7 +168,7 @@ Clazz.defineMethod (c$, "getFirstAtomIndexFromAtomNumber", function (atomNumber, bsVisibleFrames) { for (var i = 0; i < this.ac; i++) { var atom = this.at[i]; -if (atom.getAtomNumber () == atomNumber && bsVisibleFrames.get (atom.mi)) return i; +if (atom != null && atom.getAtomNumber () == atomNumber && bsVisibleFrames.get (atom.mi)) return i; } return -1; }, "~N,JU.BS"); @@ -184,7 +184,7 @@ this.taintAtom (i, 4); Clazz.defineMethod (c$, "getAtomicCharges", function () { var charges = Clazz.newFloatArray (this.ac, 0); -for (var i = this.ac; --i >= 0; ) charges[i] = this.at[i].getElementNumber (); +for (var i = this.ac; --i >= 0; ) charges[i] = (this.at[i] == null ? 0 : this.at[i].getElementNumber ()); return charges; }); @@ -202,6 +202,7 @@ function () { var r; for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; if ((r = atom.getBondingRadius ()) > this.maxBondingRadius) this.maxBondingRadius = r; if ((r = atom.getVanderwaalsRadiusFloat (this.vwr, J.c.VDW.AUTO)) > this.maxVanderwaalsRadius) this.maxVanderwaalsRadius = r; } @@ -225,6 +226,7 @@ for (var i = bs.nextSetBit (0); i >= 0; i = bs.nextSetBit (i + 1)) this.setBf (i }, "JU.BS"); Clazz.defineMethod (c$, "setBf", function (i) { +if (this.at[i] == null) return; var bf = this.at[i].getBfactor100 (); if (bf < this.bfactor100Lo) this.bfactor100Lo = bf; else if (bf > this.bfactor100Hi) this.bfactor100Hi = bf; @@ -278,15 +280,13 @@ this.nSurfaceAtoms = JU.BSUtil.cardinalityOf (this.bsSurface); if (this.nSurfaceAtoms == 0 || points == null || points.length == 0) return points; var radiusAdjust = (envelopeRadius == 3.4028235E38 ? 0 : envelopeRadius); for (var i = 0; i < this.ac; i++) { -if (this.bsSurface.get (i)) { +if (this.bsSurface.get (i) || this.at[i] == null) { this.surfaceDistance100s[i] = 0; } else { var dMin = 3.4028235E38; var atom = this.at[i]; for (var j = points.length; --j >= 0; ) { -var d = Math.abs (points[j].distance (atom) - radiusAdjust); -if (d < 0 && JU.Logger.debugging) JU.Logger.debug ("draw d" + j + " " + JU.Escape.eP (points[j]) + " \"" + d + " ? " + atom.getInfo () + "\""); -dMin = Math.min (d, dMin); +dMin = Math.min (Math.abs (points[j].distance (atom) - radiusAdjust), dMin); } var d = this.surfaceDistance100s[i] = Clazz.doubleToInt (Math.floor (dMin * 100)); this.surfaceDistanceMax = Math.max (this.surfaceDistanceMax, d); @@ -388,6 +388,7 @@ iValue = Clazz.floatToInt (fValue); if (n >= list.length) return; sValue = list[n++]; }var atom = this.at[i]; +var f; switch (tok) { case 1086326786: this.setAtomName (i, sValue, true); @@ -446,8 +447,8 @@ case 1113589786: this.setHydrophobicity (i, fValue); break; case 1128269825: -if (fValue < 2 && fValue > 0.01) fValue = 100 * fValue; -this.setOccupancy (i, fValue, true); +f = (fValue < 2 && fValue >= 0.01 ? 100 * fValue : fValue); +this.setOccupancy (i, f, true); break; case 1111492619: this.setPartialCharge (i, fValue, true); @@ -467,9 +468,10 @@ this.vwr.shm.setAtomLabel (sValue, i); break; case 1665140738: case 1112152075: -if (fValue < 0) fValue = 0; - else if (fValue > 16) fValue = 16.1; -atom.madAtom = (Clazz.floatToShort (fValue * 2000)); +f = fValue; +if (f < 0) f = 0; + else if (f > 16) f = 16.1; +atom.madAtom = (Clazz.floatToShort (f * 2000)); break; case 1113589787: this.vwr.slm.setSelectedAtom (atom.i, (fValue != 0)); @@ -659,10 +661,13 @@ this.partialCharges[atomIndex] = partialCharge; if (doTaint) this.taintAtom (atomIndex, 8); }, "~N,~N,~B"); Clazz.defineMethod (c$, "setBondingRadius", - function (atomIndex, radius) { +function (atomIndex, radius) { if (Float.isNaN (radius) || radius == this.at[atomIndex].getBondingRadius ()) return; -if (this.bondingRadii == null) this.bondingRadii = Clazz.newFloatArray (this.at.length, 0); -this.bondingRadii[atomIndex] = radius; +if (this.bondingRadii == null) { +this.bondingRadii = Clazz.newFloatArray (this.at.length, 0); +} else if (this.bondingRadii.length < this.at.length) { +this.bondingRadii = JU.AU.ensureLength (this.bondingRadii, this.at.length); +}this.bondingRadii[atomIndex] = radius; this.taintAtom (atomIndex, 6); }, "~N,~N"); Clazz.defineMethod (c$, "setBFactor", @@ -876,9 +881,9 @@ if (this.tainted[type].nextSetBit (0) < 0) this.tainted[type] = null; Clazz.defineMethod (c$, "findNearest2", function (x, y, closest, bsNot, min) { var champion = null; +var contender; for (var i = this.ac; --i >= 0; ) { -if (bsNot != null && bsNot.get (i)) continue; -var contender = this.at[i]; +if (bsNot != null && bsNot.get (i) || (contender = this.at[i]) == null) continue; if (contender.isClickable () && this.isCursorOnTopOf (contender, x, y, min, champion)) champion = contender; } closest[0] = champion; @@ -897,7 +902,7 @@ if (includeRadii) atomData.atomRadius = Clazz.newFloatArray (this.ac, 0); var isMultiModel = ((mode & 16) != 0); for (var i = 0; i < this.ac; i++) { var atom = this.at[i]; -if (atom.isDeleted () || !isMultiModel && atomData.modelIndex >= 0 && atom.mi != atomData.firstModelIndex) { +if (atom == null || atom.isDeleted () || !isMultiModel && atomData.modelIndex >= 0 && atom.mi != atomData.firstModelIndex) { if (atomData.bsIgnored == null) atomData.bsIgnored = new JU.BS (); atomData.bsIgnored.set (i); continue; @@ -935,7 +940,11 @@ if (rd.factorType === J.atomdata.RadiusData.EnumType.FACTOR) r *= rd.value; return r + rd.valueExtended; }, "JM.Atom,J.atomdata.AtomData"); Clazz.defineMethod (c$, "calculateHydrogens", -function (bs, nTotal, doAll, justCarbon, vConnect) { +function (bs, nTotal, vConnect, flags) { +var doAll = ((flags & 256) == 256); +var justCarbon = ((flags & 512) == 512); +var isQuick = ((flags & 4) == 4); +var ignoreH = ((flags & 2048) == 2048); var z = new JU.V3 (); var x = new JU.V3 (); var hAtoms = new Array (this.ac); @@ -955,12 +964,14 @@ dHX = 1.0; break; case 6: } -if (doAll && atom.getCovalentHydrogenCount () > 0) continue; -var n = this.getMissingHydrogenCount (atom, false); -if (n == 0) continue; +var n = (doAll || ignoreH ? atom.getCovalentHydrogenCount () : 0); +if (doAll && n > 0 || ignoreH && n == 0) continue; +var nMissing = this.getMissingHydrogenCount (atom, false); +if (doAll && nMissing == 0) continue; +if (!ignoreH) n = nMissing; var targetValence = this.aaRet[0]; var hybridization = this.aaRet[2]; -var nBonds = this.aaRet[3]; +var nBonds = this.aaRet[3] - (ignoreH ? n : 0); if (nBonds == 0 && atom.isHetero ()) continue; hAtoms[i] = new Array (n); var hPt = 0; @@ -996,17 +1007,17 @@ switch (n) { default: break; case 3: -this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3b", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3b", false, true, isQuick); pt = new JU.P3 (); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); -this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3c", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3c", false, true, isQuick); pt = new JU.P3 (); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); -this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3d", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3d", false, true, isQuick); pt = new JU.P3 (); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -1014,12 +1025,12 @@ if (vConnect != null) vConnect.addLast (atom); break; case 2: var isEne = (hybridization == 2 || atomicNumber == 5 || nBonds == 1 && targetValence == 4 || atomicNumber == 7 && this.isAdjacentSp2 (atom)); -this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2b" : targetValence == 3 ? "sp3c" : "lpa"), false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2b" : targetValence == 3 ? "sp3c" : "lpa"), false, true, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); -this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2c" : targetValence == 3 ? "sp3d" : "lpb"), false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2c" : targetValence == 3 ? "sp3d" : "lpb"), false, true, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -1031,7 +1042,7 @@ case 1: if (atomicNumber == 8 && atom === atom.group.getCarbonylOxygenAtom ()) { hAtoms[i] = null; continue; -}if (this.getHybridizationAndAxes (i, atomicNumber, z, x, (hybridization == 2 || atomicNumber == 5 || atomicNumber == 7 && (atom.group.getNitrogenAtom () === atom || this.isAdjacentSp2 (atom)) ? "sp2c" : "sp3d"), true, false) != null) { +}if (this.getHybridizationAndAxes (i, atomicNumber, z, x, (hybridization == 2 || atomicNumber == 5 || atomicNumber == 6 && this.aaRet[1] == 1 || atomicNumber == 7 && (atom.group.getNitrogenAtom () === atom || this.isAdjacentSp2 (atom)) ? "sp2c" : "sp3d"), true, false, isQuick) != null) { pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -1040,14 +1051,14 @@ if (vConnect != null) vConnect.addLast (atom); hAtoms[i] = new Array (0); }break; case 2: -this.getHybridizationAndAxes (i, atomicNumber, z, x, (targetValence == 4 ? "sp2c" : "sp2b"), false, false); +this.getHybridizationAndAxes (i, atomicNumber, z, x, (targetValence == 4 ? "sp2c" : "sp2b"), false, false, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); break; case 3: -this.getHybridizationAndAxes (i, atomicNumber, z, x, "spb", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "spb", false, true, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -1059,7 +1070,7 @@ break; } nTotal[0] = nH; return hAtoms; -}, "JU.BS,~A,~B,~B,JU.Lst"); +}, "JU.BS,~A,JU.Lst,~N"); Clazz.defineMethod (c$, "isAdjacentSp2", function (atom) { var bonds = atom.bonds; @@ -1117,12 +1128,12 @@ n++; return n; }, "JU.BS"); Clazz.defineMethod (c$, "getHybridizationAndAxes", -function (atomIndex, atomicNumber, z, x, lcaoTypeRaw, hybridizationCompatible, doAlignZ) { +function (atomIndex, atomicNumber, z, x, lcaoTypeRaw, hybridizationCompatible, doAlignZ, isQuick) { var lcaoType = (lcaoTypeRaw.length > 0 && lcaoTypeRaw.charAt (0) == '-' ? lcaoTypeRaw.substring (1) : lcaoTypeRaw); if (lcaoTypeRaw.indexOf ("d") >= 0 && !lcaoTypeRaw.endsWith ("sp3d")) return this.getHybridizationAndAxesD (atomIndex, z, x, lcaoType); var atom = this.at[atomIndex]; if (atomicNumber == 0) atomicNumber = atom.getElementNumber (); -var attached = this.getAttached (atom, 4, hybridizationCompatible); +var attached = this.getAttached (atom, 4, hybridizationCompatible, isQuick); var nAttached = attached.length; var pt = lcaoType.charCodeAt (lcaoType.length - 1) - 97; if (pt < 0 || pt > 6) pt = 0; @@ -1130,7 +1141,11 @@ z.set (0, 0, 0); x.set (0, 0, 0); var v = new Array (4); for (var i = 0; i < nAttached; i++) { -v[i] = JU.V3.newVsub (atom, attached[i]); +var a = attached[i]; +if (a == null) { +nAttached = i; +break; +}v[i] = JU.V3.newVsub (atom, a); v[i].normalize (); z.add (v[i]); } @@ -1194,9 +1209,10 @@ break; }hybridization = lcaoType; break; default: -if (isPlanar) { +if (isPlanar && !isQuick) { hybridization = "sp2"; } else { +if (isPlanar) z.setT (vTemp); if (isLp && nAttached == 3) { hybridization = "lp"; break; @@ -1277,7 +1293,8 @@ if (vTemp.length () > 0.1 || a.getCovalentBondCount () != 2) break; atom = a0; a0 = a; } -if (vTemp.length () > 0.1) { +if (isSp) { +} else if (vTemp.length () > 0.1) { z.cross (vTemp, x); z.normalize (); if (pt == 1) z.scale (-1); @@ -1293,13 +1310,14 @@ z.setT (x); x.cross (JM.AtomCollection.vRef, x); }break; case 3: -this.getHybridizationAndAxes (attached[0].i, 0, x, vTemp, "pz", false, doAlignZ); +this.getHybridizationAndAxes (attached[0].i, 0, x, vTemp, "pz", false, doAlignZ, isQuick); vTemp.setT (x); if (isSp2) { x.cross (x, z); if (pt == 1) x.scale (-1); x.scale (JM.AtomCollection.sqrt3_2); z.scaleAdd2 (0.5, z, x); +} else if (isSp) { } else { vTemp.setT (z); z.setT (x); @@ -1314,7 +1332,7 @@ var a = attached[0]; var ok = (a.getCovalentBondCount () == 3); if (!ok) ok = ((a = attached[1]).getCovalentBondCount () == 3); if (ok) { -this.getHybridizationAndAxes (a.i, 0, x, z, "pz", false, doAlignZ); +this.getHybridizationAndAxes (a.i, 0, x, z, "pz", false, doAlignZ, isQuick); if (lcaoType.equals ("px")) x.scale (-1); z.setT (v[0]); break; @@ -1355,7 +1373,7 @@ x.scale (-1); x.normalize (); z.normalize (); return hybridization; -}, "~N,~N,JU.V3,JU.V3,~S,~B,~B"); +}, "~N,~N,JU.V3,JU.V3,~S,~B,~B,~B"); Clazz.defineMethod (c$, "getHybridizationAndAxesD", function (atomIndex, z, x, lcaoType) { if (lcaoType.startsWith ("sp3d2")) lcaoType = "d2sp3" + (lcaoType.length == 5 ? "a" : lcaoType.substring (5)); @@ -1365,7 +1383,7 @@ var isTrigonal = lcaoType.startsWith ("dsp3"); var pt = lcaoType.charCodeAt (lcaoType.length - 1) - 97; if (z != null && (!isTrigonal && (pt > 5 || !lcaoType.startsWith ("d2sp3")) || isTrigonal && pt > 4)) return null; var atom = this.at[atomIndex]; -var attached = this.getAttached (atom, 6, true); +var attached = this.getAttached (atom, 6, true, false); if (attached == null) return (z == null ? null : "?"); var nAttached = attached.length; if (nAttached < 3 && z != null) return null; @@ -1511,18 +1529,20 @@ z.normalize (); return (isTrigonal ? "dsp3" : "d2sp3"); }, "~N,JU.V3,JU.V3,~S"); Clazz.defineMethod (c$, "getAttached", - function (atom, nMax, doSort) { + function (atom, nMax, doSort, isQuick) { var nAttached = atom.getCovalentBondCount (); if (nAttached > nMax) return null; var attached = new Array (nAttached); if (nAttached > 0) { var bonds = atom.bonds; var n = 0; -for (var i = 0; i < bonds.length; i++) if (bonds[i].isCovalent ()) attached[n++] = bonds[i].getOtherAtom (atom); - -if (doSort) java.util.Arrays.sort (attached, Clazz.innerTypeInstance (JM.AtomCollection.AtomSorter, this, null)); +for (var i = 0; i < bonds.length; i++) if (bonds[i].isCovalent ()) { +var a = bonds[i].getOtherAtom (atom); +if (!isQuick || a.getAtomicAndIsotopeNumber () != 1) attached[n++] = a; +} +if (doSort && !isQuick) java.util.Arrays.sort (attached, Clazz.innerTypeInstance (JM.AtomCollection.AtomSorter, this, null)); }return attached; -}, "JM.Atom,~N,~B"); +}, "JM.Atom,~N,~B,~B"); Clazz.defineMethod (c$, "findNotAttached", function (nAttached, angles, ptrs, nPtrs) { var bs = JU.BS.newN (nAttached); @@ -1543,17 +1563,20 @@ case 1086326785: var isType = (tokType == 1086326785); var names = "," + specInfo + ","; for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var s = (isType ? this.at[i].getAtomType () : this.at[i].getAtomName ()); if (names.indexOf ("," + s + ",") >= 0) bs.set (i); } return bs; case 1094715393: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getAtomNumber () == iSpec) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getAtomNumber () == iSpec) bs.set (i); +} return bs; case 2097155: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getCovalentBondCount () > 0) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getCovalentBondCount () > 0) bs.set (i); +} return bs; case 2097188: case 2097156: @@ -1568,30 +1591,35 @@ return ((this).haveBioModels ? (this).bioModelset.getAtomBitsBS (tokType, null, case 1612709900: iSpec = 1; case 1094715402: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getElementNumber () == iSpec) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getElementNumber () == iSpec) bs.set (i); +} return bs; case 1612709894: -for (var i = this.ac; --i >= 0; ) if (this.at[i].isHetero ()) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].isHetero ()) bs.set (i); +} return bs; case 1073741824: return this.getIdentifierOrNull (specInfo); case 2097165: -for (var i = this.ac; --i >= 0; ) if (this.at[i].isLeadAtom ()) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].isLeadAtom ()) bs.set (i); +} return bs; case 1094713362: case 1639976963: return ((this).haveBioModels ? (this).bioModelset.getAtomBitsBS (tokType, specInfo, bs) : bs); case 1094715412: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getResno () == iSpec) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getResno () == iSpec) bs.set (i); +} return bs; case 1612709912: var hs = Clazz.newIntArray (2, 0); var a; for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var g = this.at[i].group.groupID; if (g >= 42 && g < 45) { bs.set (i); @@ -1609,7 +1637,7 @@ bs.set (i); return bs; case 1073742355: var spec = specInfo; -for (var i = this.ac; --i >= 0; ) if (this.isAltLoc (this.at[i].altloc, spec)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isAltLoc (this.at[i].altloc, spec)) bs.set (i); return bs; case 1073742356: @@ -1617,7 +1645,7 @@ var atomSpec = (specInfo).toUpperCase (); if (atomSpec.indexOf ("\\?") >= 0) atomSpec = JU.PT.rep (atomSpec, "\\?", "\1"); var allowStar = atomSpec.startsWith ("?*"); if (allowStar) atomSpec = atomSpec.substring (1); -for (var i = this.ac; --i >= 0; ) if (this.isAtomNameMatch (this.at[i], atomSpec, allowStar, allowStar)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isAtomNameMatch (this.at[i], atomSpec, allowStar, allowStar)) bs.set (i); return bs; case 1073742357: @@ -1625,17 +1653,17 @@ return JU.BSUtil.copy (this.getChainBits (iSpec)); case 1073742360: return this.getSpecName (specInfo); case 1073742361: -for (var i = this.ac; --i >= 0; ) if (this.at[i].group.groupID == iSpec) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].group.groupID == iSpec) bs.set (i); return bs; case 1073742362: return JU.BSUtil.copy (this.getSeqcodeBits (iSpec, true)); case 5: -for (var i = this.ac; --i >= 0; ) if (this.at[i].group.getInsCode () == iSpec) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].group.getInsCode () == iSpec) bs.set (i); return bs; case 1296041986: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getSymOp () == iSpec) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].getSymOp () == iSpec) bs.set (i); return bs; } @@ -1662,7 +1690,7 @@ case 1086326789: bsTemp = new JU.BS (); for (var i = i0; i >= 0; i = bsInfo.nextSetBit (i + 1)) bsTemp.set (this.at[i].getElementNumber ()); -for (var i = this.ac; --i >= 0; ) if (bsTemp.get (this.at[i].getElementNumber ())) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && bsTemp.get (this.at[i].getElementNumber ())) bs.set (i); return bs; case 1086324742: @@ -1676,7 +1704,7 @@ case 1094713366: bsTemp = new JU.BS (); for (var i = i0; i >= 0; i = bsInfo.nextSetBit (i + 1)) bsTemp.set (this.at[i].atomSite); -for (var i = this.ac; --i >= 0; ) if (bsTemp.get (this.at[i].atomSite)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && bsTemp.get (this.at[i].atomSite)) bs.set (i); return bs; } @@ -1686,11 +1714,15 @@ return bs; Clazz.defineMethod (c$, "getChainBits", function (chainID) { var caseSensitive = this.vwr.getBoolean (603979822); -if (chainID >= 0 && chainID < 300 && !caseSensitive) chainID = this.chainToUpper (chainID); -var bs = new JU.BS (); +if (caseSensitive) { +if (chainID >= 97 && chainID <= 122) chainID += 159; +} else { +if (chainID >= 0 && chainID < 300) chainID = this.chainToUpper (chainID); +}var bs = new JU.BS (); var bsDone = JU.BS.newN (this.ac); var id; for (var i = bsDone.nextClearBit (0); i < this.ac; i = bsDone.nextClearBit (i + 1)) { +if (this.at[i] == null) continue; var chain = this.at[i].group.chain; if (chainID == (id = chain.chainID) || !caseSensitive && id >= 0 && id < 300 && chainID == this.chainToUpper (id)) { chain.setAtomBits (bs); @@ -1721,6 +1753,7 @@ var insCode = JM.Group.getInsertionCodeChar (seqcode); switch (insCode) { case '?': for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var atomSeqcode = this.at[i].group.seqcode; if ((!haveSeqNumber || seqNum == JM.Group.getSeqNumberFor (atomSeqcode)) && JM.Group.getInsertionCodeFor (atomSeqcode) != 0) { bs.set (i); @@ -1729,6 +1762,7 @@ isEmpty = false; break; default: for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var atomSeqcode = this.at[i].group.seqcode; if (seqcode == atomSeqcode || !haveSeqNumber && seqcode == JM.Group.getInsertionCodeFor (atomSeqcode) || insCode == '*' && seqNum == JM.Group.getSeqNumberFor (atomSeqcode)) { bs.set (i); @@ -1758,6 +1792,7 @@ if (name.indexOf ("\\?") >= 0) name = JU.PT.rep (name, "\\?", "\1"); var allowInitialStar = name.startsWith ("?*"); if (allowInitialStar) name = name.substring (1); for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var g3 = this.at[i].getGroup3 (true); if (g3 != null && g3.length > 0) { if (JU.PT.isMatch (g3, name, checkStar, true)) { @@ -1789,6 +1824,7 @@ function (distance, plane) { var bsResult = new JU.BS (); for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; var d = JU.Measure.distanceToPlane (plane, atom); if (distance > 0 && d >= -0.1 && d <= distance || distance < 0 && d <= 0.1 && d >= distance || distance == 0 && Math.abs (d) < 0.01) bsResult.set (atom.i); } @@ -1803,7 +1839,7 @@ Clazz.defineMethod (c$, "getAtomsInFrame", function (bsAtoms) { this.clearVisibleSets (); bsAtoms.clearAll (); -for (var i = this.ac; --i >= 0; ) if (this.at[i].isVisible (1)) bsAtoms.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].isVisible (1)) bsAtoms.set (i); }, "JU.BS"); Clazz.defineMethod (c$, "getVisibleSet", @@ -1814,7 +1850,7 @@ this.vwr.shm.finalizeAtoms (null, true); } else if (this.haveBSVisible) { return this.bsVisible; }this.bsVisible.clearAll (); -for (var i = this.ac; --i >= 0; ) if (this.at[i].checkVisible ()) this.bsVisible.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].checkVisible ()) this.bsVisible.set (i); if (this.vwr.shm.bsSlabbedInternal != null) this.bsVisible.andNot (this.vwr.shm.bsSlabbedInternal); this.haveBSVisible = true; @@ -1825,7 +1861,7 @@ function (forceNew) { if (forceNew) this.vwr.setModelVisibility (); else if (this.haveBSClickable) return this.bsClickable; this.bsClickable.clearAll (); -for (var i = this.ac; --i >= 0; ) if (this.at[i].isClickable ()) this.bsClickable.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].isClickable ()) this.bsClickable.set (i); this.haveBSClickable = true; return this.bsClickable; @@ -2040,5 +2076,10 @@ Clazz.defineStatics (c$, "TAINT_SEQID", 14, "TAINT_RESNO", 15, "TAINT_CHAIN", 16, -"TAINT_MAX", 17); +"TAINT_MAX", 17, +"CALC_H_DOALL", 0x100, +"CALC_H_JUSTC", 0x200, +"CALC_H_HAVEH", 0x400, +"CALC_H_QUICK", 4, +"CALC_H_IGNORE_H", 0x800); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JM/BioModelSet.js b/qmpy/web/static/js/jsmol/j2s/JM/BioModelSet.js index acae69aa..ead36fdb 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/BioModelSet.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/BioModelSet.js @@ -167,48 +167,56 @@ case 136314895: case 2097184: var type = (tokType == 136314895 ? J.c.STR.HELIX : J.c.STR.SHEET); for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isWithinStructure (type)) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097188: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isCarbohydrate ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097156: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isDna ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097166: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isNucleic ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097168: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isProtein ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097170: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isPurine ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097172: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isPyrimidine ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097174: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isRna ()) g.setAtomBits (bs); i = g.firstAtomIndex; } @@ -275,7 +283,7 @@ var at0 = (bsAtoms == null ? 0 : bsAtoms.nextSetBit (0)); if (at0 < 0) return ""; if (bsAtoms != null && mode == 4138) { bsAtoms = JU.BSUtil.copy (bsAtoms); -for (var i = this.ms.ac; --i >= 0; ) if (Float.isNaN (atoms[i].group.getGroupParameter (1111490569)) || Float.isNaN (atoms[i].group.getGroupParameter (1111490570))) bsAtoms.clear (i); +for (var i = this.ms.ac; --i >= 0; ) if (atoms[i] == null || Float.isNaN (atoms[i].group.getGroupParameter (1111490569)) || Float.isNaN (atoms[i].group.getGroupParameter (1111490570))) bsAtoms.clear (i); }var at1 = (bsAtoms == null ? this.ms.ac : bsAtoms.length ()) - 1; var im0 = atoms[at0].mi; @@ -400,6 +408,7 @@ iLast = i = g.lastAtomIndex; } var lastStrucNo = Clazz.newIntArray (this.ms.mc, 0); for (var i = 0; i < this.ms.ac; i++) { +if (at[i] == null) continue; var modelIndex = at[i].mi; if (!bsModels.get (modelIndex)) { i = am[modelIndex].firstAtomIndex + am[modelIndex].act - 1; @@ -411,6 +420,7 @@ if (iLast < 1000 && iLast > lastStrucNo[modelIndex]) lastStrucNo[modelIndex] = i i = g.lastAtomIndex; }} for (var i = 0; i < this.ms.ac; i++) { +if (at[i] == null) continue; var modelIndex = at[i].mi; if (!bsModels.get (modelIndex)) { i = am[modelIndex].firstAtomIndex + am[modelIndex].act - 1; @@ -635,6 +645,7 @@ var bsModels = JU.BS.newN (this.ms.mc); var isAll = (bsAtoms == null); var i0 = (isAll ? this.ms.ac - 1 : bsAtoms.nextSetBit (0)); for (var i = i0; i >= 0; i = (isAll ? i - 1 : bsAtoms.nextSetBit (i + 1))) { +if (this.ms.at[i] == null) continue; var modelIndex = this.ms.am[this.ms.at[i].mi].trajectoryBaseIndex; if (this.ms.isJmolDataFrameForModel (modelIndex)) continue; bsModels.set (modelIndex); diff --git a/qmpy/web/static/js/jsmol/j2s/JM/BioPolymer.js b/qmpy/web/static/js/jsmol/j2s/JM/BioPolymer.js index cdc5b4f1..b54fc8a5 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/BioPolymer.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/BioPolymer.js @@ -204,10 +204,13 @@ var previousVectorC = null; for (var i = 1; i < this.monomerCount; ++i) { vectorA.sub2 (this.leadMidpoints[i], this.leadPoints[i]); vectorB.sub2 (this.leadPoints[i], this.leadMidpoints[i + 1]); +if (vectorB.length () == 0) { +vectorC = previousVectorC; +} else { vectorC.cross (vectorA, vectorB); vectorC.normalize (); if (previousVectorC != null && previousVectorC.angle (vectorC) > 1.5707963267948966) vectorC.scale (-1); -previousVectorC = this.wingVectors[i] = JU.V3.newV (vectorC); +}previousVectorC = this.wingVectors[i] = JU.V3.newV (vectorC); } }}this.wingVectors[0] = this.wingVectors[1]; this.wingVectors[this.monomerCount] = this.wingVectors[this.monomerCount - 1]; @@ -314,6 +317,10 @@ Clazz.defineMethod (c$, "isCyclic", function () { return ((this.cyclicFlag == 0 ? (this.cyclicFlag = (this.monomerCount >= 4 && this.monomers[0].isConnectedAfter (this.monomers[this.monomerCount - 1])) ? 1 : -1) : this.cyclicFlag) == 1); }); +Clazz.overrideMethod (c$, "toString", +function () { +return "[Polymer type " + this.type + " n=" + this.monomerCount + " " + (this.monomerCount > 0 ? this.monomers[0] + " " + this.monomers[this.monomerCount - 1] : "") + "]"; +}); Clazz.defineStatics (c$, "TYPE_NOBONDING", 0, "TYPE_AMINO", 1, diff --git a/qmpy/web/static/js/jsmol/j2s/JM/BioResolver.js b/qmpy/web/static/js/jsmol/j2s/JM/BioResolver.js index 5f3bace2..414f2ee9 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/BioResolver.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/BioResolver.js @@ -17,6 +17,7 @@ this.htBondMap = null; this.htGroupBonds = null; this.hNames = null; this.baseBondIndex = 0; +this.hasCONECT = false; this.bsAssigned = null; Clazz.instantialize (this, arguments); }, JM, "BioResolver", null, java.util.Comparator); @@ -41,6 +42,7 @@ JM.Group.specialAtomNames = JM.BioResolver.specialAtomNames; this.ms = modelLoader.ms; this.vwr = modelLoader.ms.vwr; modelLoader.specialAtomIndexes = Clazz.newIntArray (JM.BioResolver.ATOMID_MAX, 0); +this.hasCONECT = (this.ms.getInfoM ("someModelsHaveCONECT") === Boolean.TRUE); }return this; }, "JM.ModelLoader"); Clazz.defineMethod (c$, "setViewer", @@ -101,7 +103,7 @@ Clazz.defineMethod (c$, "addImplicitHydrogenAtoms", function (adapter, iGroup, nH) { var group3 = this.ml.getGroup3 (iGroup); var nH1; -if (this.haveHsAlready || group3 == null || (nH1 = JM.BioResolver.getStandardPdbHydrogenCount (group3)) == 0) return; +if (this.haveHsAlready && this.hasCONECT || group3 == null || (nH1 = JM.BioResolver.getStandardPdbHydrogenCount (group3)) == 0) return; nH = (nH1 < 0 ? -1 : nH1 + nH); var model = null; var iFirst = this.ml.getFirstAtomIndex (iGroup); @@ -114,12 +116,13 @@ nH = adapter.getHydrogenAtomCount (model); if (nH < 1) return; }this.getBondInfo (adapter, group3, model); this.ms.am[this.ms.at[iFirst].mi].isPdbWithMultipleBonds = true; +if (this.haveHsAlready) return; this.bsAtomsForHs.setBits (iFirst, ac); this.bsAddedHydrogens.setBits (ac, ac + nH); var isHetero = this.ms.at[iFirst].isHetero (); var xyz = JU.P3.new3 (NaN, NaN, NaN); var a = this.ms.at[iFirst]; -for (var i = 0; i < nH; i++) this.ms.addAtom (a.mi, a.group, 1, "H", null, 0, a.getSeqID (), 0, xyz, NaN, null, 0, 0, 1, 0, null, isHetero, 0, null).$delete (null); +for (var i = 0; i < nH; i++) this.ms.addAtom (a.mi, a.group, 1, "H", null, 0, a.getSeqID (), 0, xyz, NaN, null, 0, 0, 1, 0, null, isHetero, 0, null, NaN).$delete (null); }, "J.api.JmolAdapter,~N,~N"); Clazz.defineMethod (c$, "getBondInfo", @@ -207,12 +210,12 @@ if (this.bsAddedHydrogens.nextSetBit (0) < 0) return; this.bsAddedMask = JU.BSUtil.copy (this.bsAddedHydrogens); this.finalizePdbCharges (); var nTotal = Clazz.newIntArray (1, 0); -var pts = this.ms.calculateHydrogens (this.bsAtomsForHs, nTotal, true, false, null); +var pts = this.ms.calculateHydrogens (this.bsAtomsForHs, nTotal, null, 256); var groupLast = null; var ipt = 0; +var atom; for (var i = 0; i < pts.length; i++) { -if (pts[i] == null) continue; -var atom = this.ms.at[i]; +if (pts[i] == null || (atom = this.ms.at[i]) == null) continue; var g = atom.group; if (g !== groupLast) { groupLast = g; @@ -319,8 +322,10 @@ var n = this.ml.baseAtomIndex; var models = this.ms.am; var atoms = this.ms.at; for (var i = this.ml.baseAtomIndex; i < this.ms.ac; i++) { -models[atoms[i].mi].bsAtoms.clear (i); -models[atoms[i].mi].bsAtomsDeleted.clear (i); +var a = atoms[i]; +if (a == null) continue; +models[a.mi].bsAtoms.clear (i); +models[a.mi].bsAtomsDeleted.clear (i); if (bsDeletedAtoms.get (i)) { mapOldToNew[i] = n - 1; models[atoms[i].mi].act--; diff --git a/qmpy/web/static/js/jsmol/j2s/JM/Bond.js b/qmpy/web/static/js/jsmol/j2s/JM/Bond.js index 5298a1f7..26899ddd 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/Bond.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/Bond.js @@ -10,6 +10,7 @@ Clazz.instantialize (this, arguments); }, JM, "Bond", JU.Edge); Clazz.makeConstructor (c$, function (atom1, atom2, order, mad, colix) { +Clazz.superConstructor (this, JM.Bond, []); this.atom1 = atom1; this.atom2 = atom2; this.colix = colix; @@ -112,13 +113,13 @@ var i2 = 2147483647; var bonds = this.atom1.bonds; for (i1 = 0; i1 < bonds.length; i1++) { var a = bonds[i1].getOtherAtom (this.atom1); -if (bs1.get (a.i) && a !== this.atom2) break; +if (a !== this.atom2) break; } if (i1 < bonds.length) { bonds = this.atom2.bonds; for (i2 = 0; i2 < bonds.length; i2++) { var a = bonds[i2].getOtherAtom (this.atom2); -if (bs2.get (a.i) && a !== this.atom1) break; +if (a !== this.atom1) break; } }this.order = (i1 > 2 || i2 >= bonds.length || i2 > 2 ? 1 : JU.Edge.getAtropismOrder (i1 + 1, i2 + 1)); }, "JU.BS,JU.BS"); @@ -133,5 +134,9 @@ Clazz.overrideMethod (c$, "toString", function () { return this.atom1 + " - " + this.atom2; }); +Clazz.overrideMethod (c$, "getAtom", +function (i) { +return (i == 1 ? this.atom2 : this.atom1); +}, "~N"); c$.myVisibilityFlag = c$.prototype.myVisibilityFlag = JV.JC.getShapeVisibilityFlag (1); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JM/BondCollection.js b/qmpy/web/static/js/jsmol/j2s/JM/BondCollection.js index e13b1762..a86c6281 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/BondCollection.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/BondCollection.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JM"); -Clazz.load (["JM.AtomCollection"], "JM.BondCollection", ["JU.AU", "$.BS", "JM.Bond", "$.BondIteratorSelected", "$.BondSet", "$.HBond", "JU.BSUtil", "$.C", "$.Edge", "$.Logger"], function () { +Clazz.load (["JM.AtomCollection"], "JM.BondCollection", ["JU.AU", "$.BS", "JM.Bond", "$.BondIteratorSelected", "$.BondSet", "$.HBond", "JU.BSUtil", "$.C", "$.Edge"], function () { c$ = Clazz.decorateAsClass (function () { this.bo = null; this.bondCount = 0; @@ -12,6 +12,7 @@ this.bsAromaticSingle = null; this.bsAromaticDouble = null; this.bsAromatic = null; this.haveHiddenBonds = false; +this.haveAtropicBonds = false; Clazz.instantialize (this, arguments); }, JM, "BondCollection", JM.AtomCollection); Clazz.defineMethod (c$, "setupBC", @@ -176,7 +177,7 @@ if (matchNull || newOrder == (bond.order & -257 | 131072) || (order & bond.order bsDelete.set (i); nDeleted++; }} -if (nDeleted > 0) this.dBm (bsDelete, false); +if (nDeleted > 0) (this).deleteBonds (bsDelete, false); return Clazz.newIntArray (-1, [0, nDeleted]); }, "~N,~N,~N,JU.BS,JU.BS,~B,~B"); Clazz.defineMethod (c$, "fixD", @@ -192,10 +193,6 @@ var dABcalc = atom1.getBondingRadius () + atom2.getBondingRadius (); return ((minFrac ? dAB >= dABcalc * minD : d2 >= minD) && (maxfrac ? dAB <= dABcalc * maxD : d2 <= maxD)); }return (d2 >= minD && d2 <= maxD); }, "JM.Atom,JM.Atom,~N,~N,~B,~B,~B"); -Clazz.defineMethod (c$, "dBm", -function (bsBonds, isFullModel) { -(this).deleteBonds (bsBonds, isFullModel); -}, "JU.BS,~B"); Clazz.defineMethod (c$, "dBb", function (bsBond, isFullModel) { var iDst = bsBond.nextSetBit (0); @@ -435,50 +432,6 @@ bs.set (this.bo[i].atom2.i); return bs; } }, "~N,~O"); -Clazz.defineMethod (c$, "assignBond", -function (bondIndex, type) { -var bondOrder = type.charCodeAt (0) - 48; -var bond = this.bo[bondIndex]; -(this).clearDB (bond.atom1.i); -switch (type) { -case '0': -case '1': -case '2': -case '3': -break; -case 'p': -case 'm': -bondOrder = JU.Edge.getBondOrderNumberFromOrder (bond.getCovalentOrder ()).charCodeAt (0) - 48 + (type == 'p' ? 1 : -1); -if (bondOrder > 3) bondOrder = 1; - else if (bondOrder < 0) bondOrder = 3; -break; -default: -return null; -} -var bsAtoms = new JU.BS (); -try { -if (bondOrder == 0) { -var bs = new JU.BS (); -bs.set (bond.index); -bsAtoms.set (bond.atom1.i); -bsAtoms.set (bond.atom2.i); -this.dBm (bs, false); -return bsAtoms; -}bond.setOrder (bondOrder | 131072); -if (bond.atom1.getElementNumber () != 1 && bond.atom2.getElementNumber () != 1) { -this.removeUnnecessaryBonds (bond.atom1, false); -this.removeUnnecessaryBonds (bond.atom2, false); -}bsAtoms.set (bond.atom1.i); -bsAtoms.set (bond.atom2.i); -} catch (e) { -if (Clazz.exceptionOf (e, Exception)) { -JU.Logger.error ("Exception in seBondOrder: " + e.toString ()); -} else { -throw e; -} -} -return bsAtoms; -}, "~N,~S"); Clazz.defineMethod (c$, "removeUnnecessaryBonds", function (atom, deleteAtom) { var bs = new JU.BS (); @@ -491,7 +444,7 @@ if (atom2.getElementNumber () == 1) bs.set (bonds[i].getOtherAtom (atom).i); } else { bsBonds.set (bonds[i].index); } -if (bsBonds.nextSetBit (0) >= 0) this.dBm (bsBonds, false); +if (bsBonds.nextSetBit (0) >= 0) (this).deleteBonds (bsBonds, false); if (deleteAtom) bs.set (atom.i); if (bs.nextSetBit (0) >= 0) this.vwr.deleteAtoms (bs, false); }, "JM.Atom,~B"); diff --git a/qmpy/web/static/js/jsmol/j2s/JM/CarbohydrateMonomer.js b/qmpy/web/static/js/jsmol/j2s/JM/CarbohydrateMonomer.js index 90e7f599..62c2835f 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/CarbohydrateMonomer.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/CarbohydrateMonomer.js @@ -22,7 +22,7 @@ if (possiblyPreviousMonomer == null) return true; for (var i = this.firstAtomIndex; i <= this.lastAtomIndex; i++) for (var j = possiblyPreviousMonomer.firstAtomIndex; j <= possiblyPreviousMonomer.lastAtomIndex; j++) { var a = this.chain.model.ms.at[i]; var b = this.chain.model.ms.at[j]; -if (a.getElementNumber () + b.getElementNumber () == 14 && a.distanceSquared (b) < 3.24) return true; +if (a != null && b != null && a.getElementNumber () + b.getElementNumber () == 14 && a.distanceSquared (b) < 3.24) return true; } return false; diff --git a/qmpy/web/static/js/jsmol/j2s/JM/FF/CalculationsUFF.js b/qmpy/web/static/js/jsmol/j2s/JM/FF/CalculationsUFF.js index bfade789..f12329b7 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/FF/CalculationsUFF.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/FF/CalculationsUFF.js @@ -47,7 +47,7 @@ var oopCalc = new JM.FF.UFFOOPCalc ().set (this); var elemNo; for (var i = 0; i < this.ac; i++) { var a = this.minAtoms[i]; -if (a.nBonds == 3 && JM.FF.CalculationsUFF.isInvertible (elemNo = a.atom.getElementNumber ())) oopCalc.setData (calc, i, elemNo, 0); +if (a.nBonds == 3 && a.sType !== "C_3" && JM.FF.CalculationsUFF.isInvertible (elemNo = a.atom.getElementNumber ())) oopCalc.setData (calc, i, elemNo, 0); } this.pairSearch (this.calculations[5] = new JU.Lst (), new JM.FF.UFFVDWCalc ().set (this), null, null); return true; diff --git a/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceField.js b/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceField.js index 1b20736e..469c2243 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceField.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceField.js @@ -52,7 +52,7 @@ if (this.calc.loggingEnabled) this.calc.appendLogData (this.calc.getAtomList ("S this.dE = 0; this.calc.setPreliminary (stepMax > 0); this.e0 = this.energyFull (false, false); -s = JU.PT.sprintf (" Initial " + this.name + " E = %10.3f " + this.minimizer.units + " criterion = %8.6f max steps = " + stepMax, "ff", Clazz.newArray (-1, [Float.$valueOf (this.toUserUnits (this.e0)), Float.$valueOf (this.toUserUnits (criterion))])); +s = JU.PT.sprintf (" Initial " + this.name + " E = %10.3f " + this.minimizer.units + "/mol criterion = %8.6f max steps = " + stepMax, "ff", Clazz.newArray (-1, [Float.$valueOf (this.toUserUnits (this.e0)), Float.$valueOf (this.toUserUnits (criterion))])); this.minimizer.report (s, false); this.calc.appendLogData (s); }, "~N,~N"); @@ -77,14 +77,14 @@ var e1 = this.energyFull (false, false); this.dE = e1 - this.e0; var done = JM.Util.isNear3 (e1, this.e0, this.criterion); if (done || this.currentStep % 10 == 0 || this.stepMax <= this.currentStep) { -var s = JU.PT.sprintf (this.name + " Step %-4d E = %10.6f dE = %8.6f ", "Fi", Clazz.newArray (-1, [ Clazz.newFloatArray (-1, [e1, (this.dE), this.criterion]), Integer.$valueOf (this.currentStep)])); +var s = JU.PT.sprintf (this.name + " Step %-4d E = %10.6f dE = %8.6f ", "Fi", Clazz.newArray (-1, [ Clazz.newFloatArray (-1, [this.toUserUnits (e1), this.toUserUnits (this.dE)]), Integer.$valueOf (this.currentStep)])); this.minimizer.report (s, false); this.calc.appendLogData (s); }this.e0 = e1; if (done || this.stepMax <= this.currentStep) { if (this.calc.loggingEnabled) this.calc.appendLogData (this.calc.getAtomList ("F I N A L G E O M E T R Y")); if (done) { -var s = JU.PT.formatStringF ("\n " + this.name + " STEEPEST DESCENT HAS CONVERGED: E = %8.5f " + this.minimizer.units + " after " + this.currentStep + " steps", "f", this.toUserUnits (e1)); +var s = JU.PT.formatStringF ("\n " + this.name + " STEEPEST DESCENT HAS CONVERGED: E = %8.5f " + this.minimizer.units + "/mol after " + this.currentStep + " steps", "f", this.toUserUnits (e1)); this.calc.appendLogData (s); this.minimizer.report (s, true); JU.Logger.info (s); diff --git a/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceFieldMMFF.js b/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceFieldMMFF.js index a21be063..75ac45e6 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceFieldMMFF.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceFieldMMFF.js @@ -1,6 +1,7 @@ Clazz.declarePackage ("JM.FF"); -Clazz.load (["JM.FF.ForceField"], "JM.FF.ForceFieldMMFF", ["java.lang.Float", "java.util.Hashtable", "JU.AU", "$.BS", "$.Lst", "$.PT", "JM.MinAtom", "$.MinObject", "JM.FF.AtomType", "$.CalculationsMMFF", "JU.BSUtil", "$.Elements", "$.Escape", "$.Logger", "JV.JmolAsyncException"], function () { +Clazz.load (["JM.FF.ForceField"], "JM.FF.ForceFieldMMFF", ["java.lang.Double", "$.Float", "java.util.Hashtable", "JU.AU", "$.BS", "$.Lst", "$.PT", "JM.MinAtom", "$.MinObject", "JM.FF.AtomType", "$.CalculationsMMFF", "JU.BSUtil", "$.Elements", "$.Escape", "$.Logger", "JV.JmolAsyncException"], function () { c$ = Clazz.decorateAsClass (function () { +this.ffParams = null; this.rawAtomTypes = null; this.rawBondTypes = null; this.rawMMFF94Charges = null; @@ -21,12 +22,18 @@ function () { return this.rawMMFF94Charges; }); Clazz.makeConstructor (c$, -function (m) { +function (m, isQuick) { Clazz.superConstructor (this, JM.FF.ForceFieldMMFF, []); this.minimizer = m; +if (isQuick) { +this.name = "MMFF2D"; +this.ffParams = JM.FF.ForceFieldMMFF.mmff2DParams; +if (this.ffParams == null) JM.FF.ForceFieldMMFF.mmff2DParams = this.ffParams = this.getParameters (true); +} else { this.name = "MMFF"; -this.getParameters (); -}, "JM.Minimizer"); +this.ffParams = JM.FF.ForceFieldMMFF.mmffParams; +if (this.ffParams == null) JM.FF.ForceFieldMMFF.mmffParams = this.ffParams = this.getParameters (false); +}}, "JM.Minimizer,~B"); Clazz.overrideMethod (c$, "clear", function () { }); @@ -36,7 +43,7 @@ var m = this.minimizer; if (!this.setArrays (m.atoms, m.bsAtoms, m.bonds, m.rawBondCount, false, false)) return false; this.setModelFields (); if (!this.fixTypes ()) return false; -this.calc = new JM.FF.CalculationsMMFF (this, JM.FF.ForceFieldMMFF.ffParams, this.minAtoms, this.minBonds, this.minAngles, this.minTorsions, this.minPositions, this.minimizer.constraints); +this.calc = new JM.FF.CalculationsMMFF (this, this.ffParams, this.minAtoms, this.minBonds, this.minAngles, this.minTorsions, this.minPositions, this.minimizer.constraints); this.calc.setLoggingEnabled (true); return this.calc.setupCalculations (); }, "JU.BS,~N"); @@ -47,15 +54,14 @@ this.vRings = JU.AU.createArrayOfArrayList (4); this.rawAtomTypes = JM.FF.ForceFieldMMFF.setAtomTypes (atoms, bsAtoms, m.vwr.getSmilesMatcher (), this.vRings, allowUnknowns); if (this.rawAtomTypes == null) return false; this.rawBondTypes = this.setBondTypes (bonds, rawBondCount, bsAtoms); -this.rawMMFF94Charges = JM.FF.ForceFieldMMFF.calculatePartialCharges (bonds, this.rawBondTypes, atoms, this.rawAtomTypes, bsAtoms, doRound); +this.rawMMFF94Charges = this.calculatePartialCharges (bonds, this.rawBondTypes, atoms, this.rawAtomTypes, bsAtoms, doRound); return true; }, "~A,JU.BS,~A,~N,~B,~B"); Clazz.defineMethod (c$, "getParameters", - function () { -if (JM.FF.ForceFieldMMFF.ffParams != null) return; +function (isQuick) { this.getAtomTypes (); +var resourceName = (isQuick ? "mmff94.par.txt" : "mmff94_2d.par.txt"); var data = new java.util.Hashtable (); -var resourceName = "mmff94.par.txt"; if (JU.Logger.debugging) JU.Logger.debug ("reading data from " + resourceName); var br = null; var line = null; @@ -94,8 +100,8 @@ throw e; } } } -JM.FF.ForceFieldMMFF.ffParams = data; -}); +return data; +}, "~B"); Clazz.defineMethod (c$, "readParams", function (br, dataType, data) { var value = null; @@ -223,11 +229,11 @@ return JU.PT.parseInt (this.line.substring (i, j).trim ()); }, "~N,~N"); Clazz.defineMethod (c$, "fval", function (i, j) { -return JU.PT.fVal (this.line.substring (i, j).trim ()); +return Float.$valueOf (this.line.substring (i, j).trim ()).floatValue (); }, "~N,~N"); Clazz.defineMethod (c$, "dval", function (i, j) { -return JU.PT.dVal (this.line.substring (i, j).trim ()); +return Double.$valueOf (this.line.substring (i, j).trim ()).doubleValue (); }, "~N,~N"); Clazz.defineMethod (c$, "getAtomTypes", function () { @@ -395,7 +401,7 @@ at.mltb = 3; break; } }, "JM.FF.AtomType"); -c$.calculatePartialCharges = Clazz.defineMethod (c$, "calculatePartialCharges", +Clazz.defineMethod (c$, "calculatePartialCharges", function (bonds, bTypes, atoms, aTypes, bsAtoms, doRound) { var partialCharges = Clazz.newFloatArray (atoms.length, 0); for (var i = bsAtoms.nextSetBit (0); i >= 0; i = bsAtoms.nextSetBit (i + 1)) partialCharges[i] = JM.FF.ForceFieldMMFF.atomTypes.get (Math.max (0, aTypes[i])).formalCharge; @@ -413,20 +419,23 @@ var type1 = (it < 0 ? -it : at1.mmType); it = aTypes[a2.i]; var at2 = JM.FF.ForceFieldMMFF.atomTypes.get (Math.max (0, it)); var type2 = (it < 0 ? -it : at2.mmType); -var dq; +var dq = NaN; try { var bondType = bTypes[i]; var bFactor = (type1 < type2 ? -1 : 1); var key = JM.MinObject.getKey (bondType, bFactor == 1 ? type2 : type1, bFactor == 1 ? type1 : type2, 127, 124); -var bciValue = JM.FF.ForceFieldMMFF.ffParams.get (key); -var bci; +var bciValue = this.ffParams.get (key); +var bci = NaN; var msg = (JU.Logger.debugging ? a1 + "/" + a2 + " mmTypes=" + type1 + "/" + type2 + " formalCharges=" + at1.formalCharge + "/" + at2.formalCharge + " bci = " : null); if (bciValue == null) { -var pa = (JM.FF.ForceFieldMMFF.ffParams.get (JM.MinObject.getKey (0, type1, 127, 127, 127))).floatValue (); -var pb = (JM.FF.ForceFieldMMFF.ffParams.get (JM.MinObject.getKey (0, type2, 127, 127, 127))).floatValue (); +var a; +var b; +if ((a = this.ffParams.get (JM.MinObject.getKey (0, type1, 127, 127, 127))) != null && (b = this.ffParams.get (JM.MinObject.getKey (0, type2, 127, 127, 127))) != null) { +var pa = a.floatValue (); +var pb = b.floatValue (); bci = pa - pb; if (JU.Logger.debugging) msg += pa + " - " + pb + " = "; -} else { +}} else { bci = bFactor * bciValue.floatValue (); }if (JU.Logger.debugging) { msg += bci; @@ -452,13 +461,13 @@ if (abscharge == 0 && a1 != null) { partialCharges[a1.i] = -0.0; }}return partialCharges; }, "~A,~A,~A,~A,JU.BS,~B"); -c$.isBondType1 = Clazz.defineMethod (c$, "isBondType1", +c$.isSpecialBondType = Clazz.defineMethod (c$, "isSpecialBondType", function (at1, at2) { return at1.sbmb && at2.sbmb || at1.arom && at2.arom; }, "JM.FF.AtomType,JM.FF.AtomType"); Clazz.defineMethod (c$, "getBondType", function (bond, at1, at2, index1, index2) { -return (JM.FF.ForceFieldMMFF.isBondType1 (at1, at2) && bond.getCovalentOrder () == 1 && !this.isAromaticBond (index1, index2) ? 1 : 0); +return (JM.FF.ForceFieldMMFF.isSpecialBondType (at1, at2) && bond.getCovalentOrder () == 1 && !this.isAromaticBond (index1, index2) ? 1 : 0); }, "JM.Bond,JM.FF.AtomType,JM.FF.AtomType,~N,~N"); Clazz.defineMethod (c$, "isAromaticBond", function (a1, a2) { @@ -665,7 +674,7 @@ JM.FF.ForceFieldMMFF.sortOop (this.typeData); break; } key = JM.MinObject.getKey (type, this.typeData[0], this.typeData[1], this.typeData[2], this.typeData[3]); -var ddata = JM.FF.ForceFieldMMFF.ffParams.get (key); +var ddata = this.ffParams.get (key); switch (ktype) { case 3: return (ddata != null && ddata[0] > 0 ? key : this.applyEmpiricalRules (o, ddata, 3)); @@ -674,8 +683,8 @@ if (ddata != null && ddata[0] != 0) return key; break; case 9: if (ddata == null) { -if (!JM.FF.ForceFieldMMFF.ffParams.containsKey (key = this.getTorsionKey (type, 0, 2)) && !JM.FF.ForceFieldMMFF.ffParams.containsKey (key = this.getTorsionKey (type, 2, 0)) && !JM.FF.ForceFieldMMFF.ffParams.containsKey (key = this.getTorsionKey (type, 2, 2))) key = this.getTorsionKey (0, 2, 2); -ddata = JM.FF.ForceFieldMMFF.ffParams.get (key); +if (!this.ffParams.containsKey (key = this.getTorsionKey (type, 0, 2)) && !this.ffParams.containsKey (key = this.getTorsionKey (type, 2, 0)) && !this.ffParams.containsKey (key = this.getTorsionKey (type, 2, 2))) key = this.getTorsionKey (0, 2, 2); +ddata = this.ffParams.get (key); }return (ddata != null ? key : this.applyEmpiricalRules (o, ddata, 9)); case 21: if (ddata != null) return key; @@ -703,7 +712,7 @@ JM.FF.ForceFieldMMFF.sortOop (this.typeData); break; } key = JM.MinObject.getKey (type, this.typeData[0], this.typeData[1], this.typeData[2], this.typeData[3]); -haveKey = JM.FF.ForceFieldMMFF.ffParams.containsKey (key); +haveKey = this.ffParams.containsKey (key); } if (haveKey) { if (isSwapped) switch (ktype) { @@ -715,7 +724,7 @@ break; } } else if (type != 0 && ktype == 5) { key = Integer.$valueOf (key.intValue () ^ 0xFF); -}ddata = JM.FF.ForceFieldMMFF.ffParams.get (key); +}ddata = this.ffParams.get (key); switch (ktype) { case 5: return (ddata != null && ddata[0] != 0 ? key : this.applyEmpiricalRules (o, ddata, 5)); @@ -741,7 +750,7 @@ b = this.minAtoms[o.data[1]]; var elemno1 = a.atom.getElementNumber (); var elemno2 = b.atom.getElementNumber (); var key = JM.MinObject.getKey (0, Math.min (elemno1, elemno2), Math.max (elemno1, elemno2), 127, 123); -ddata = JM.FF.ForceFieldMMFF.ffParams.get (key); +ddata = this.ffParams.get (key); if (ddata == null) return null; var kbref = ddata[0]; var r0ref = ddata[1]; @@ -805,8 +814,8 @@ break; var za = JM.FF.ForceFieldMMFF.getZParam (this.minAtoms[o.data[0]].atom.getElementNumber ()); var cb = JM.FF.ForceFieldMMFF.getCParam (this.minAtoms[o.data[1]].atom.getElementNumber ()); var zc = JM.FF.ForceFieldMMFF.getZParam (this.minAtoms[o.data[2]].atom.getElementNumber ()); -var r0ab = JM.FF.ForceFieldMMFF.getR0 (this.minBonds[o.data[3]]); -var r0bc = JM.FF.ForceFieldMMFF.getR0 (this.minBonds[o.data[4]]); +var r0ab = this.getR0 (this.minBonds[o.data[3]]); +var r0bc = this.getR0 (this.minBonds[o.data[4]]); rr = r0ab + r0bc; rr2 = rr * rr; var D = (r0ab - r0bc) / rr2; @@ -902,9 +911,9 @@ default: return null; } }, "JM.MinObject,~A,~N"); -c$.getR0 = Clazz.defineMethod (c$, "getR0", +Clazz.defineMethod (c$, "getR0", function (b) { -return (b.ddata == null ? (JM.FF.ForceFieldMMFF.ffParams.get (b.key)) : b.ddata)[1]; +return (b.ddata == null ? (this.ffParams.get (b.key)) : b.ddata)[1]; }, "JM.MinBond"); Clazz.defineMethod (c$, "getRowFor", function (i) { @@ -913,7 +922,7 @@ return (elemno < 3 ? 0 : elemno < 11 ? 1 : elemno < 19 ? 2 : elemno < 37 ? 3 : 4 }, "~N"); Clazz.defineMethod (c$, "getOutOfPlaneParameter", function (data) { -var ddata = JM.FF.ForceFieldMMFF.ffParams.get (this.getKey (data, 6, 13)); +var ddata = this.ffParams.get (this.getKey (data, 6, 13)); return (ddata == null ? 0 : ddata[0]); }, "~A"); c$.sortOop = Clazz.defineMethod (c$, "sortOop", @@ -1164,7 +1173,8 @@ Clazz.defineStatics (c$, "TYPE_TORSION", 0x9, "TYPE_OOP", 0xD, "atomTypes", null, -"ffParams", null, +"mmffParams", null, +"mmff2DParams", null, "names", "END.BCI.CHG.ANG.NDK.OND.OOP.TBN.FSB.TOR.VDW.", "types", Clazz.newIntArray (-1, [0, 1, 34, 5, 546, 3, 13, 21, 37, 9, 17]), "sbMap", Clazz.newIntArray (-1, [0, 1, 3, 5, 4, 6, 8, 9, 11]), diff --git a/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceFieldUFF.js b/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceFieldUFF.js index 93251026..0815da5b 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceFieldUFF.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/FF/ForceFieldUFF.js @@ -1,15 +1,25 @@ Clazz.declarePackage ("JM.FF"); Clazz.load (["JM.FF.ForceField", "JS.T"], "JM.FF.ForceFieldUFF", ["java.util.Hashtable", "JU.BS", "$.Lst", "$.PT", "JM.FF.CalculationsUFF", "$.FFParam", "JU.Elements", "$.Logger", "JV.JmolAsyncException"], function () { c$ = Clazz.decorateAsClass (function () { +this.ffParams = null; this.bsAromatic = null; +this.is2D = false; Clazz.instantialize (this, arguments); }, JM.FF, "ForceFieldUFF", JM.FF.ForceField); Clazz.makeConstructor (c$, -function (minimizer) { +function (minimizer, isQuick) { Clazz.superConstructor (this, JM.FF.ForceFieldUFF, []); this.minimizer = minimizer; +if (isQuick) { +this.name = "UFF2D"; +this.is2D = true; +this.ffParams = JM.FF.ForceFieldUFF.uff2DParams; +if (this.ffParams == null) JM.FF.ForceFieldUFF.uff2DParams = this.ffParams = this.getParameters (); +} else { this.name = "UFF"; -}, "JM.Minimizer"); +this.ffParams = JM.FF.ForceFieldUFF.uffParams; +if (this.ffParams == null) JM.FF.ForceFieldUFF.uffParams = this.ffParams = this.getParameters (); +}}, "JM.Minimizer,~B"); Clazz.overrideMethod (c$, "clear", function () { this.bsAromatic = null; @@ -18,10 +28,9 @@ Clazz.overrideMethod (c$, "setModel", function (bsElements, elemnoMax) { this.setModelFields (); JU.Logger.info ("minimize: setting atom types..."); -if (JM.FF.ForceFieldUFF.atomTypes == null && (JM.FF.ForceFieldUFF.atomTypes = this.getAtomTypes ()) == null) return false; -if (JM.FF.ForceFieldUFF.ffParams == null && (JM.FF.ForceFieldUFF.ffParams = this.getFFParameters ()) == null) return false; +if (this.ffParams == null || JM.FF.ForceFieldUFF.atomTypes == null && (JM.FF.ForceFieldUFF.atomTypes = this.getAtomTypes ()) == null) return false; this.setAtomTypes (bsElements, elemnoMax); -this.calc = new JM.FF.CalculationsUFF (this, JM.FF.ForceFieldUFF.ffParams, this.minAtoms, this.minBonds, this.minAngles, this.minTorsions, this.minPositions, this.minimizer.constraints); +this.calc = new JM.FF.CalculationsUFF (this, this.ffParams, this.minAtoms, this.minBonds, this.minAngles, this.minTorsions, this.minPositions, this.minimizer.constraints); return this.calc.setupCalculations (); }, "JU.BS,~N"); Clazz.defineMethod (c$, "setAtomTypes", @@ -35,8 +44,9 @@ if (smarts == null) continue; var search = this.getSearch (smarts, elemnoMax, bsElements); if (bsElements.get (0)) bsElements.clear (0); else if (search == null) break; - else for (var j = this.minimizer.bsAtoms.nextSetBit (0), pt = 0; j < this.minimizer.atoms.length && j >= 0; j = this.minimizer.bsAtoms.nextSetBit (j + 1), pt++) if (search.get (j)) this.minAtoms[pt].sType = data[1].intern (); - + else for (var j = this.minimizer.bsAtoms.nextSetBit (0), pt = 0; j < this.minimizer.atoms.length && j >= 0; j = this.minimizer.bsAtoms.nextSetBit (j + 1), pt++) if (search.get (j)) { +this.minAtoms[pt].sType = data[1].intern (); +} } }, "JU.BS,~N"); Clazz.defineMethod (c$, "getSearch", @@ -90,11 +100,10 @@ bs.and (this.bsAromatic); }if (JU.Logger.debugging && bs.nextSetBit (0) >= 0) JU.Logger.debug (smarts + " minimize atoms=" + bs); return bs; }, "~S,~N,JU.BS"); -Clazz.defineMethod (c$, "getFFParameters", +Clazz.defineMethod (c$, "getParameters", function () { -var ffParam; -var temp = new java.util.Hashtable (); -var resourceName = "UFF.txt"; +var data = new java.util.Hashtable (); +var resourceName = (this.is2D ? "UFF_2d.txt" : "UFF.txt"); var br = null; try { br = this.getBufferedReader (resourceName); @@ -104,23 +113,23 @@ var vs = JU.PT.getTokens (line); if (vs.length < 13) continue; if (JU.Logger.debugging) JU.Logger.debug (line); if (line.substring (0, 5).equals ("param")) { -ffParam = new JM.FF.FFParam (); -temp.put (vs[1], ffParam); -ffParam.dVal = Clazz.newDoubleArray (11, 0); -ffParam.sVal = new Array (1); -ffParam.sVal[0] = vs[1]; -ffParam.dVal[0] = JU.PT.parseFloat (vs[2]); -ffParam.dVal[1] = JU.PT.parseFloat (vs[3]) * 0.017453292519943295; -ffParam.dVal[2] = JU.PT.parseFloat (vs[4]); -ffParam.dVal[3] = JU.PT.parseFloat (vs[5]); -ffParam.dVal[4] = JU.PT.parseFloat (vs[6]); -ffParam.dVal[5] = JU.PT.parseFloat (vs[7]); -ffParam.dVal[6] = JU.PT.parseFloat (vs[8]); -ffParam.dVal[7] = JU.PT.parseFloat (vs[9]); -ffParam.dVal[8] = JU.PT.parseFloat (vs[10]); -ffParam.dVal[9] = JU.PT.parseFloat (vs[11]); -ffParam.dVal[10] = JU.PT.parseFloat (vs[12]); -ffParam.iVal = Clazz.newIntArray (1, 0); +var p = new JM.FF.FFParam (); +data.put (vs[1], p); +p.dVal = Clazz.newDoubleArray (11, 0); +p.sVal = new Array (1); +p.sVal[0] = vs[1]; +p.dVal[0] = JU.PT.parseFloat (vs[2]); +p.dVal[1] = JU.PT.parseFloat (vs[3]) * 0.017453292519943295; +p.dVal[2] = JU.PT.parseFloat (vs[4]); +p.dVal[3] = JU.PT.parseFloat (vs[5]); +p.dVal[4] = JU.PT.parseFloat (vs[6]); +p.dVal[5] = JU.PT.parseFloat (vs[7]); +p.dVal[6] = JU.PT.parseFloat (vs[8]); +p.dVal[7] = JU.PT.parseFloat (vs[9]); +p.dVal[8] = JU.PT.parseFloat (vs[10]); +p.dVal[9] = JU.PT.parseFloat (vs[11]); +p.dVal[10] = JU.PT.parseFloat (vs[12]); +p.iVal = Clazz.newIntArray (1, 0); var coord = (vs[1].length > 2 ? vs[1].charAt (2) : '1'); switch (coord) { case 'R': @@ -137,7 +146,7 @@ case '5': case '6': break; } -ffParam.iVal[0] = coord.charCodeAt (0) - 48; +p.iVal[0] = coord.charCodeAt (0) - 48; }} br.close (); } catch (e) { @@ -156,13 +165,13 @@ return null; throw e; } } -JU.Logger.info (temp.size () + " atom types read from " + resourceName); -return temp; +JU.Logger.info (data.size () + " atom types read from " + resourceName); +return data; }); Clazz.defineMethod (c$, "getAtomTypes", function () { var types = new JU.Lst (); -var fileName = "UFF.txt"; +var fileName = (this.is2D ? "UFF_2d.txt" : "UFF.txt"); try { var br = this.getBufferedReader (fileName); var line; @@ -193,7 +202,8 @@ return (types.size () > 0 ? types : null); }); Clazz.defineStatics (c$, "atomTypes", null, -"ffParams", null, +"uff2DParams", null, +"uffParams", null, "TOKEN_ELEMENT_ONLY", 0, "TOKEN_ELEMENT_CHARGED", 1, "TOKEN_ELEMENT_CONNECTED", 2, @@ -203,5 +213,5 @@ Clazz.defineStatics (c$, "PT_ELEMENT", 2, "PT_CHARGE", 5, "PT_CONNECT", 6); -c$.tokenTypes = c$.prototype.tokenTypes = Clazz.newArray (-1, [ Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenAnd, JS.T.n (268435860, 1631586315), JS.T.i (0), JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenAnd, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.i (0), JS.T.tokenRightParen, JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.o (1073741824, "flatring"), JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenAnd, JS.T.tokenLeftParen, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.i (1), JS.T.tokenComma, JS.T.o (4, "triple"), JS.T.tokenRightParen, JS.T.tokenOr, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.i (2), JS.T.tokenComma, JS.T.o (4, "double"), JS.T.tokenRightParen, JS.T.tokenRightParen, JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenAnd, JS.T.o (134217736, "connected"), JS.T.tokenLeftParen, JS.T.i (1), JS.T.tokenComma, JS.T.o (4, "double"), JS.T.tokenRightParen, JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenAnd, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.i (3), JS.T.tokenRightParen, JS.T.tokenAnd, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.o (4, "double"), JS.T.tokenRightParen, JS.T.tokenRightParen, JS.T.tokenExpressionEnd])]); +c$.tokenTypes = c$.prototype.tokenTypes = Clazz.newArray (-1, [ Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenAnd, JS.T.n (268435860, 1631586315), JS.T.i (0), JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenAnd, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.i (0), JS.T.tokenRightParen, JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.o (1073741824, "flatring"), JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenAnd, JS.T.tokenLeftParen, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.i (1), JS.T.tokenComma, JS.T.o (4, "triple"), JS.T.tokenRightParen, JS.T.tokenOr, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.i (2), JS.T.tokenComma, JS.T.o (4, "double"), JS.T.tokenRightParen, JS.T.tokenRightParen, JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenAnd, JS.T.o (134217736, "connected"), JS.T.tokenLeftParen, JS.T.i (1), JS.T.tokenComma, JS.T.o (4, "double"), JS.T.tokenRightParen, JS.T.tokenExpressionEnd]), Clazz.newArray (-1, [JS.T.tokenExpressionBegin, JS.T.n (268435860, 1094715402), JS.T.i (0), JS.T.tokenAnd, JS.T.tokenLeftParen, JS.T.n (268435861, 1094715402), JS.T.i (6), JS.T.tokenOr, JS.T.n (268435861, 1631586315), JS.T.i (0), JS.T.tokenRightParen, JS.T.tokenAnd, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.i (3), JS.T.tokenRightParen, JS.T.tokenAnd, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.tokenConnected, JS.T.tokenLeftParen, JS.T.o (4, "double"), JS.T.tokenRightParen, JS.T.tokenRightParen, JS.T.tokenExpressionEnd])]); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JM/FF/data/MMFF94-smarts.txt b/qmpy/web/static/js/jsmol/j2s/JM/FF/data/MMFF94-smarts.txt index b3f23130..9eee6652 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/FF/data/MMFF94-smarts.txt +++ b/qmpy/web/static/js/jsmol/j2s/JM/FF/data/MMFF94-smarts.txt @@ -1,260 +1,260 @@ -#AtSym ElemNo mmType HType formalCharge*12 val Desc Smiles - -#BH 5/17/2016 -- for OpenSMARTS convention requiring $(...) in [...] - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -Li 3 92 0 12 0 LITHIUM CATION [LiD0] -C 6 22 5 0 4 C IN CYCLOPROPLY [CD4r3] -C 6 20 5 0 4 C IN CYCLOBUTYL [CD4r4] -C 6 1 5 0 4 ALKYL CARBON [CD4] -C 6 30 5 0 4 C=C IN 4-RING [$([CD3r4]=C)] -C 6 2 5 0 4 VINYLIC [$([CD3]=C)] -C 6 41 5 0 4 C IN CO2- ANION [$([CD3]([OD1])[OD1]), $([CD3]([SD1])[SD1])] - -C 6 57 5 0 4 GUANIDINIUM CARBON [$([CD3]([#7D3v3])([#7D3v3])=[#7D3v4&!r600&!$([#7][OD1])])] -C 6 57 5 0 4 C IN +N=C-N RESONANCE [$([CD3]([#7D3v3])=[#7D3v4&!r600&!$([#7][OD1])])] -C 6 3 5 0 4 GUANIDINE CARBON [$([CD3](=[#7D3v3])([#7D3v3])[#7D2v3])] -C 6 3 5 0 4 GENERAL CARBONYL C [$([CD3]=[O,N,P,S])] - - - - - - - - - - -C 6 80 5 0 4 C IN N-C-N, IM+ ION [$([cD3r500]([#7D3v3])=[#7D3v4&!r600&!$([#7][OD1])])] -C 6 78 5 0 4 general 5-ring C both alp [$([cD3r500]1[oD2r500,sD2r500,nD3v3r500]aaa1),$([cD3r500]1a[oD2r500,sD2r500,nD3v3r500]aa1)] -C 6 63 5 0 4 ALPHA AROM 5-RING C (fur [$([cD3r500]:[oD2r500,sD2r500])] -C 6 64 5 0 4 BETA AROM 5-RING C (fura [$([cD3r500]:a:[oD2r500,sD2r500])] -C 6 78 5 0 4 general 5-ring C (imidzol [$([cD3r500]1[nv4r500&!$(n[OD1])]aaa1),$([cr500]1a[nv4r500&!$(n[OD1])]aa1)] -C 6 78 5 0 4 general 5-ring C (1,2-dia [$([cD3r500]1[cr500][cr500][nD2r500][nD2r500]1),$([cD3r500]1[cr500][nD2r500][nD2r500][cr500]1)] -C 6 63 5 0 4 ALPHA AROM 5-RING C [$([cD3r500]:[nD3v3r500])] -C 6 64 5 0 4 BETA AROM 5-RING C [$([cD3r500]1a[nD3v3r500]aa1)] -C 6 37 5 0 4 CARBON AS IN BENZENE, PYR [cD3]1ccccc1 -C 6 78 5 0 4 GENERAL AROM 5-RING C [cD3r500] -C 6 37 5 0 4 AROMATIC C [cD3] -C 6 4 5 0 4 ACETYLENIC C [$([#6D2]#*)] -C 6 4 5 0 4 ALLENIC C (also isocyanat [$([#6D2](=*)=*)] -C 6 60 0 0 3 ISONITRILE CARBON [$([CD1]#N)] -N 7 42 0 0 3 N TRIPLE BONDED [$([ND1]#*)] -N 7 47 0 0 2 TERMINAL N, AZIDE [$([ND1][ND2])] -N 7 53 0 0 4 N TWICE DOUBLE BONDED [$([ND2](=*)=*)] -N 7 9 27 0 3 N=C, IMINES [$([ND2]=[#6,#7])] - -N 7 43 28 0 3 N, SULFONAMIDES (S(O)2-N= [$([ND2v3]S([OD1])[OD1])] -N 7 46 0 0 3 NITROSO GROUP N [$([ND2](=O)[#6,#7])] -N 7 48 28 0 2 DIVALENT NITROGEN REPLACI [$([ND2][SD4]([OD1])([#6])[#6])] -N 7 62 23 -12 2 SULFONAMIDE N- [$([ND2v2][SD4]),$([ND2v2][CD3])] -N 7 61 0 0 4 ISONITRILE N [$([ND2]#[#6])] -N 7 61 0 12 4 diazo N (+1) [$([ND2]#[#7])] -N 7 38 0 0 3 AROMATIC N, PYRIDINE [nD2r600] -N 7 65 0 0 3 ALPHA AROM 5-RING N (thio [$([nD2r500]:[sD2])] -N 7 66 0 0 3 (BETA) AROM 5-RING N (thi [$([nD2r500]:a:[sD2])] -N 7 65 0 0 3 ALPHA AROM 5-RING N (fura [$([nD2r500]:[oD2])] -N 7 66 0 0 3 (BETA) AROM 5-RING N (fur [$([nD2r500]:a:[oD2])] -N 7 65 0 0 3 ALPHA AROM 5-RING N [$([nD2r500]:[nD3v3])&!$([$(n:[$([nv4])&!$([#7][OD1])]),$(n:a=[$([nv4])&!$([#7][OD1])]),$(n=a:[$([nv4])&!$([#7][OD1])])])] -N 7 66 0 0 3 (BETA) AROM 5-RING N [$([nD2r500]:a:[nD3v3])&!$([$(n:[$([nv4])&!$([#7][OD1])]),$(n:a=[$([nv4])&!$([#7][OD1])]),$(n=a:[$([nv4])&!$([#7][OD1])])])] -N 7 76 0 -3 2 NEG N IN TETRAZOLE AN [$([nD2r500][nD2r500][nD2r500][nD2r500])] -N 7 76 0 -4 2 (NEG N IN TRIAZOLE) [$([nD2r500]:[nD2r500]:[nD2r500]:c)] -N 7 76 0 -6 2 NEG N IN DIAZOLE [$([nD2r500]:[nD2r500]:c:c:c)] -N 7 79 0 0 3 GENERAL AROM 5-RING N [nD2r500] -N 7 45 0 0 4 NITRO GROUP N [$([ND3](=O)O)] - -N 7 67 23 0 4 NITROGEN IN N-OXIDE [$([ND3]([OD1])([#6])[#6]),$([ND3]([OD1])=[#6,#7])] -N 7 56 36 4 34 GUANIDINIUM N; Q=1/3 [$([ND3v3][#6D3]([#7D3v3&!r600&!$([#7][OD1])])=[#7D3v4&!r600&!$([#7][OD1])]),$([ND3v4]=[#6D3]([#7D3v3&!r600&!$([#7][OD1])])[#7D3v3&!r600&!$([#7][OD1])])] -N 7 55 36 6 34 N IN +N=C-N: ; Q=1/2 [$([ND3v4]=[#6D3][#7D3v3]),$([ND3v3][#6D3]=[#7D3v4&!r600&!$([#7][OD1])])] -N 7 54 36 12 4 IMINIUM NITROGEN [$([ND3v4]=[#6,#7])] -N 7 54 36 12 4 AZONIUM NITROGEN [$([ND3v4]([H])([#6])=[#7])] -N 7 43 28 0 3 N, SULFONAMIDES (and phos [$([ND3]S([OD1])[OD1]),$([ND3]P([OD1])[OD1])] -N 7 10 28 0 3 N-C=O, AMIDES [$([ND3v3][#6]=O)] -N 7 43 28 0 3 N, sulfinamide # not implemented: [$([ND3]S[OD1])&!$([ND3]S([OD1])[OD1])] -N 7 39 23 0 3 AROMATIC N, PYRROLE (tetr [$([nD3v3r500][nD2]=[nD2][nD2])] -N 7 10 28 0 3 N-C=S (DELOC LP) [$([ND3][#6]=[#16])] -N 7 10 28 0 3 N-N=C (DELOC LP) # not implemented??$([ND3][#7]=[#6,#7]) -N 7 40 28 0 3 N-C=C (DELOC LP) [$([ND3][#6]=[#6]),$([ND3]c)] -N 7 10 28 0 3 N-N=N (DELOC LP) [$([ND3v3][#7D2v3]=[#7D2v3])] -N 7 40 28 0 3 N-C=N (DELOC LP) [$([ND3][#6]=[#7,#15])] -N 7 43 28 0 3 NITROGEN ATTACHED TO CYAN [$([ND3][CD2][ND1])] -N 7 8 23 0 3 AMINE N [$([ND3](-A)(-A)-A),$([ND3](-A)(-A)-n)] -N 7 82 0 0 4 N-OXIDE NITROGEN IN GENER [$([nD3r500][OD1])] - - -N 7 69 0 0 4 NITROGEN IN N-OXIDE [$([nD3][OD1])] -N 7 81 36 4 4 GUANIDINIUM N; Q=1/3 [$([nD3v3][#6D3]([#7D3v3&!r600])=[#7D3v4&!r600&!$([#7][OD1])])] -N 7 81 36 4 4 GUANIDINIUM N; Q=1/3 [$([nD3v4]=[#6D3]([#7D3v3&!r600])[#7D3v3&!r600&!$([#7][OD1])])] -N 7 81 36 6 4 N IN N-C-N, IM+ ION [$([nD3r500v4]=[cD3][#7D3v3]),$([nD3r500v3][#6D3]=[#7D3v4&!r600&!$([#7][OD1])])] -N 7 81 36 12 4 POSITIVE N5B NITROGEN - F [$([nD3r500v4]:a:[oD2,sD2])] -N 7 58 36 12 4 N PYRIDINIUM ION [nD3r600v4] -N 7 39 23 0 3 AROMATIC N, PYRROLE [nD3r500v3] -N 7 68 23 0 4 NITROGEN IN N-OXIDE [$([ND4][OD1])] -N 7 34 36 12 4 N+, QUATERNARY N [ND4] -O 8 49 50 12 3 OXONIUM (TRICOORD) O [OD3] -O 8 70 31 0 2 OXYGEN IN WATER [$([OD2](H)H)] -O 8 59 0 0 2 AROMATIC O, FURAN [oD2r500] -O 8 6 24 0 2 RCO2H [$([OD2](H)[#6]=O)] -O 8 6 21 0 2 RCO2R [$([OD2]C=O)] -O 8 6 29 0 2 ENOL OR PHENOLIC O [$([OD2][#6D3][#6D3])] -O 8 6 29 0 2 OXYGEN IN -O-C=N MOIETY [$([OD2]-[#6D3]=[#7])] -O 8 6 33 0 2 DIVALENT O IN SULFATE [$([OD2][#16])] - - - -O 8 6 24 0 2 DIVALENT O IN PHOSPHATE [$([OD2][#15])] - - - -O 8 6 31 0 2 OXYGEN IN H2O [$([OD2]([H])[H])] -O 8 6 21 0 2 O-CSP3 [$([#8D2](-*)-*)] - -O 8 51 52 12 3 OXENIUM OXYGEN+ [$([OD2]=*)] -O 8 7 0 0 2 O=S=C [$([OD1]=[#16D2]=*)] -O 8 32 0 -6 12 O, CARBOXYLATE ANION [$([OD1][CD3][OD1])] -O 8 32 0 0 12 NITRO-GROUP OXYGEN [$([OD1][ND3]([#6])[OD1])] -O 8 32 0 0 12 NITRO-GROUP IN NITRATE [$([OD1][ND3]([OD1])[OD2])] -O 8 32 0 -4 12 NITRATE ANION OXYGEN [$([OD1][ND3]([OD1])[OD1])] -O 8 32 0 0 12 OXIDE ON NITROHGEN [$([OD1][#7D3]=,:*),$([OD1][#7D4])] -O 8 32 0 -6 12 SO4(2-) [$([OD1][SD4]([OD1])([OD1])[OD1])] -O 8 32 0 -4 12 SULFONATES, TERM OX ROSO3 [$([OD1][SD4]([OD1])[OD1])] -O 8 32 0 0 12 SULFONES, SULFONAMIDES [$([OD1][SD4][OD1,ND2]),$([OD1][SD3]([OD1,ND2])=C)] -O 8 32 0 -6 12 THIOSULFINATE O (-1/2) [$([OD1][SD3][OD1,SD1])] -O 8 32 0 0 12 SINGLE TERM O ON TET S #[$([OD1][#16])] -O 8 32 0 -6 12 TERMINAL O, O2P GROUP (RO [$([OD1][PD4]([OD1,SD1])([!$([OD1,SD1])])[!$([OD1,SD1])])] -O 8 32 0 -8 12 TERMINAL O, O3P GROUP ROP [$([OD1][PD4]([OD1])([OD1])[OD2,SD2])] -O 8 32 0 -9 12 TERMINAL O, PO4(-3) [$([OD1][PD4]([OD1])([OD1])[OD1])] -O 8 32 0 0 12 TERMINAL O, O-P [$([OD1][#15])] -O 8 32 0 -3 12 TERMINAL O IN CLO4(-) [$([OD1][ClD4]([OD1])([OD1])[OD1])] -O 8 7 0 0 2 O=C, GENERIC [$([#8D1]=[#6,#7,#16])] - - - - - -O 8 35 21 -12 1 RO- or HO- [OD1] - -F 9 11 0 0 1 FLUORINE [FD1] -F 9 89 0 -12 0 FLUORIDE ANION [FD0] -Na 11 93 0 12 0 SODIUM CATION [NaD0] -Mg 12 99 0 24 0 DIPOSITIVE MAGNESIUM CATI [MgD0] -Si 14 19 5 0 4 SILICON [SiD4] -P 15 25 71 0 4 GENERAL TETRACRD P [PD4] - - - - -P 15 26 71 0 3 TRICOORDINATE P [PD3] -P 15 75 71 0 3 P DOUBLY BONDED TO C [$([PD2]=C)] -S 16 18 0 0 4 SULFONAMIDE S [$([SD4]([OD1,ND2])[OD1,ND2]),$([SD3](=C)([OD1,ND2])[OD1,ND2])] - - - - -S 16 17 71 0 4 SULFOXIDE S (also S(=O)[N [$([SD3]([OD1,ND2])([#6,#7D3,#8D2])[#6,#7D3,#8D2])] -S 16 73 0 0 3 SULFUR IN SULFINATE [$([SD3]([OD1,SD1])[OD1])] - -S 16 44 0 0 2 S IN THIOPHENE [sD2r500] -S 16 15 71 0 2 THIOL, SULFIDE [$([SD2](-*)-*)] -S 16 74 0 0 4 SULFINYL SULFUR, C=S=O [$([SD2]([CD3])[OD1])] -S 16 72 0 -6 1 THIOCARBOXYLATE S [$([SD1][CD3][SD1])] - -S 16 16 0 0 2 S DOUBLY BONDED TO C [$([SD1]=[#6D3])] -S 16 72 0 -6 1 TERMINAL SULFUR ON C (P,S [$([SD1][#15,#6,#16][OD1])] -S 16 72 0 -12 1 TERMINAL SULFUR on alken [$([SD1][#6])] -S 16 72 0 0 1 TERMINAL SULFUR ON P [$([SD1][#15,#16])] -Cl 17 12 0 0 1 CHLORINE [ClD1] -Cl 17 77 0 0 4 CHLORINE IN CLO4(-) [$([ClD4]([OD1])([OD1])([OD1])[OD1])] -Cl 17 90 0 -12 0 CHLORIDE ANION [ClD0] -K 19 94 0 12 0 POTASSIUM CATION [KD0] -Ca 20 96 0 24 0 DIPOSITIVE CALCIUM CATION [CaD0] -Fe 26 87 0 24 0 IRON +2 CATION [FeD0+2] -Fe 26 88 0 36 0 IRON +3 CATION [FeD0+3] -Cu 29 97 0 12 0 MONOPOSITIVE COPPER CATIO [CuD0+1] -Cu 29 98 0 24 0 DIPOSITIVE COPPER CATION [CuD0+2] -Zn 30 95 0 24 0 DIPOSITIVE ZINC CATION [ZnD0+2] - -Br 35 13 0 0 1 BROMINE [BrD1] -Br 35 91 0 -12 0 BROMIDE ANION [BrD0] -I 53 14 0 0 1 IODINE [ID1] - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - +#AtSym ElemNo mmType HType formalCharge*12 val Desc Smiles + +#BH 5/17/2016 -- for OpenSMARTS convention requiring $(...) in [...] + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Li 3 92 0 12 0 LITHIUM CATION [LiD0] +C 6 22 5 0 4 C IN CYCLOPROPLY [CD4r3] +C 6 20 5 0 4 C IN CYCLOBUTYL [CD4r4] +C 6 1 5 0 4 ALKYL CARBON [CD4] +C 6 30 5 0 4 C=C IN 4-RING [$([CD3r4]=C)] +C 6 2 5 0 4 VINYLIC [$([CD3]=C)] +C 6 41 5 0 4 C IN CO2- ANION [$([CD3]([OD1])[OD1]), $([CD3]([SD1])[SD1])] + +C 6 57 5 0 4 GUANIDINIUM CARBON [$([CD3]([#7D3v3])([#7D3v3])=[#7D3v4&!r600&!$([#7][OD1])])] +C 6 57 5 0 4 C IN +N=C-N RESONANCE [$([CD3]([#7D3v3])=[#7D3v4&!r600&!$([#7][OD1])])] +C 6 3 5 0 4 GUANIDINE CARBON [$([CD3](=[#7D3v3])([#7D3v3])[#7D2v3])] +C 6 3 5 0 4 GENERAL CARBONYL C [$([CD3]=[O,N,P,S])] + + + + + + + + + + +C 6 80 5 0 4 C IN N-C-N, IM+ ION [$([cD3r500]([#7D3v3])=[#7D3v4&!r600&!$([#7][OD1])])] +C 6 78 5 0 4 general 5-ring C both alp [$([cD3r500]1[oD2r500,sD2r500,nD3v3r500]aaa1),$([cD3r500]1a[oD2r500,sD2r500,nD3v3r500]aa1)] +C 6 63 5 0 4 ALPHA AROM 5-RING C (fur [$([cD3r500]:[oD2r500,sD2r500])] +C 6 64 5 0 4 BETA AROM 5-RING C (fura [$([cD3r500]:a:[oD2r500,sD2r500])] +C 6 78 5 0 4 general 5-ring C (imidzol [$([cD3r500]1[nv4r500&!$(n[OD1])]aaa1),$([cr500]1a[nv4r500&!$(n[OD1])]aa1)] +C 6 78 5 0 4 general 5-ring C (1,2-dia [$([cD3r500]1[cr500][cr500][nD2r500][nD2r500]1),$([cD3r500]1[cr500][nD2r500][nD2r500][cr500]1)] +C 6 63 5 0 4 ALPHA AROM 5-RING C [$([cD3r500]:[nD3v3r500])] +C 6 64 5 0 4 BETA AROM 5-RING C [$([cD3r500]1a[nD3v3r500]aa1)] +C 6 37 5 0 4 CARBON AS IN BENZENE, PYR [cD3]1ccccc1 +C 6 78 5 0 4 GENERAL AROM 5-RING C [cD3r500] +C 6 37 5 0 4 AROMATIC C [cD3] +C 6 4 5 0 4 ACETYLENIC C [$([#6D2]#*)] +C 6 4 5 0 4 ALLENIC C (also isocyanat [$([#6D2](=*)=*)] +C 6 60 0 0 3 ISONITRILE CARBON [$([CD1]#N)] +N 7 42 0 0 3 N TRIPLE BONDED [$([ND1]#*)] +N 7 47 0 0 2 TERMINAL N, AZIDE [$([ND1][ND2])] +N 7 53 0 0 4 N TWICE DOUBLE BONDED [$([ND2](=*)=*)] +N 7 9 27 0 3 N=C, IMINES [$([ND2]=[#6,#7])] + +N 7 43 28 0 3 N, SULFONAMIDES (S(O)2-N= [$([ND2v3]S([OD1])[OD1])] +N 7 46 0 0 3 NITROSO GROUP N [$([ND2](=O)[#6,#7])] +N 7 48 28 0 2 DIVALENT NITROGEN REPLACI [$([ND2][SD4]([OD1])([#6])[#6])] +N 7 62 23 -12 2 SULFONAMIDE N- [$([ND2v2][SD4]),$([ND2v2][CD3])] +N 7 61 0 0 4 ISONITRILE N [$([ND2]#[#6])] +N 7 61 0 12 4 diazo N (+1) [$([ND2]#[#7])] +N 7 38 0 0 3 AROMATIC N, PYRIDINE [nD2r600] +N 7 65 0 0 3 ALPHA AROM 5-RING N (thio [$([nD2r500]:[sD2])] +N 7 66 0 0 3 (BETA) AROM 5-RING N (thi [$([nD2r500]:a:[sD2])] +N 7 65 0 0 3 ALPHA AROM 5-RING N (fura [$([nD2r500]:[oD2])] +N 7 66 0 0 3 (BETA) AROM 5-RING N (fur [$([nD2r500]:a:[oD2])] +N 7 65 0 0 3 ALPHA AROM 5-RING N [$([nD2r500]:[nD3v3])&!$([$(n:[$([nv4])&!$([#7][OD1])]),$(n:a=[$([nv4])&!$([#7][OD1])]),$(n=a:[$([nv4])&!$([#7][OD1])])])] +N 7 66 0 0 3 (BETA) AROM 5-RING N [$([nD2r500]:a:[nD3v3])&!$([$(n:[$([nv4])&!$([#7][OD1])]),$(n:a=[$([nv4])&!$([#7][OD1])]),$(n=a:[$([nv4])&!$([#7][OD1])])])] +N 7 76 0 -3 2 NEG N IN TETRAZOLE AN [$([nD2r500][nD2r500][nD2r500][nD2r500])] +N 7 76 0 -4 2 (NEG N IN TRIAZOLE) [$([nD2r500]:[nD2r500]:[nD2r500]:c)] +N 7 76 0 -6 2 NEG N IN DIAZOLE [$([nD2r500]:[nD2r500]:c:c:c)] +N 7 79 0 0 3 GENERAL AROM 5-RING N [nD2r500] +N 7 45 0 0 4 NITRO GROUP N [$([ND3](=O)O)] + +N 7 67 23 0 4 NITROGEN IN N-OXIDE [$([ND3]([OD1])([#6])[#6]),$([ND3]([OD1])=[#6,#7])] +N 7 56 36 4 34 GUANIDINIUM N; Q=1/3 [$([ND3v3][#6D3]([#7D3v3&!r600&!$([#7][OD1])])=[#7D3v4&!r600&!$([#7][OD1])]),$([ND3v4]=[#6D3]([#7D3v3&!r600&!$([#7][OD1])])[#7D3v3&!r600&!$([#7][OD1])])] +N 7 55 36 6 34 N IN +N=C-N: ; Q=1/2 [$([ND3v4]=[#6D3][#7D3v3]),$([ND3v3][#6D3]=[#7D3v4&!r600&!$([#7][OD1])])] +N 7 54 36 12 4 IMINIUM NITROGEN [$([ND3v4]=[#6,#7])] +N 7 54 36 12 4 AZONIUM NITROGEN [$([ND3v4]([H])([#6])=[#7])] +N 7 43 28 0 3 N, SULFONAMIDES (and phos [$([ND3]S([OD1])[OD1]),$([ND3]P([OD1])[OD1])] +N 7 10 28 0 3 N-C=O, AMIDES [$([ND3v3][#6]=O)] +N 7 43 28 0 3 N, sulfinamide # not implemented: [$([ND3]S[OD1])&!$([ND3]S([OD1])[OD1])] +N 7 39 23 0 3 AROMATIC N, PYRROLE (tetr [$([nD3v3r500][nD2]=[nD2][nD2])] +N 7 10 28 0 3 N-C=S (DELOC LP) [$([ND3][#6]=[#16])] +N 7 10 28 0 3 N-N=C (DELOC LP) # not implemented??$([ND3][#7]=[#6,#7]) +N 7 40 28 0 3 N-C=C (DELOC LP) [$([ND3][#6]=[#6]),$([ND3]c)] +N 7 10 28 0 3 N-N=N (DELOC LP) [$([ND3v3][#7D2v3]=[#7D2v3])] +N 7 40 28 0 3 N-C=N (DELOC LP) [$([ND3][#6]=[#7,#15])] +N 7 43 28 0 3 NITROGEN ATTACHED TO CYAN [$([ND3][CD2][ND1])] +N 7 8 23 0 3 AMINE N [$([ND3](-A)(-A)-A),$([ND3](-A)(-A)-n)] +N 7 82 0 0 4 N-OXIDE NITROGEN IN GENER [$([nD3r500][OD1])] + + +N 7 69 0 0 4 NITROGEN IN N-OXIDE [$([nD3][OD1])] +N 7 81 36 4 4 GUANIDINIUM N; Q=1/3 [$([nD3v3][#6D3]([#7D3v3&!r600])=[#7D3v4&!r600&!$([#7][OD1])])] +N 7 81 36 4 4 GUANIDINIUM N; Q=1/3 [$([nD3v4]=[#6D3]([#7D3v3&!r600])[#7D3v3&!r600&!$([#7][OD1])])] +N 7 81 36 6 4 N IN N-C-N, IM+ ION [$([nD3r500v4]=[cD3][#7D3v3]),$([nD3r500v3][#6D3]=[#7D3v4&!r600&!$([#7][OD1])])] +N 7 81 36 12 4 POSITIVE N5B NITROGEN - F [$([nD3r500v4]:a:[oD2,sD2])] +N 7 58 36 12 4 N PYRIDINIUM ION [nD3r600v4] +N 7 39 23 0 3 AROMATIC N, PYRROLE [nD3r500v3] +N 7 68 23 0 4 NITROGEN IN N-OXIDE [$([ND4][OD1])] +N 7 34 36 12 4 N+, QUATERNARY N [ND4] +O 8 49 50 12 3 OXONIUM (TRICOORD) O [OD3] +O 8 70 31 0 2 OXYGEN IN WATER [$([OD2](H)H)] +O 8 59 0 0 2 AROMATIC O, FURAN [oD2r500] +O 8 6 24 0 2 RCO2H [$([OD2](H)[#6]=O)] +O 8 6 21 0 2 RCO2R [$([OD2]C=O)] +O 8 6 29 0 2 ENOL OR PHENOLIC O [$([OD2][#6D3][#6D3])] +O 8 6 29 0 2 OXYGEN IN -O-C=N MOIETY [$([OD2]-[#6D3]=[#7])] +O 8 6 33 0 2 DIVALENT O IN SULFATE [$([OD2][#16])] + + + +O 8 6 24 0 2 DIVALENT O IN PHOSPHATE [$([OD2][#15])] + + + +O 8 6 31 0 2 OXYGEN IN H2O [$([OD2]([H])[H])] +O 8 6 21 0 2 O-CSP3 [$([#8D2](-*)-*)] + +O 8 51 52 12 3 OXENIUM OXYGEN+ [$([OD2]=*)] +O 8 7 0 0 2 O=S=C [$([OD1]=[#16D2]=*)] +O 8 32 0 -6 12 O, CARBOXYLATE ANION [$([OD1][CD3][OD1])] +O 8 32 0 0 12 NITRO-GROUP OXYGEN [$([OD1][ND3]([#6])[OD1])] +O 8 32 0 0 12 NITRO-GROUP IN NITRATE [$([OD1][ND3]([OD1])[OD2])] +O 8 32 0 -4 12 NITRATE ANION OXYGEN [$([OD1][ND3]([OD1])[OD1])] +O 8 32 0 0 12 OXIDE ON NITROHGEN [$([OD1][#7D3]=,:*),$([OD1][#7D4])] +O 8 32 0 -6 12 SO4(2-) [$([OD1][SD4]([OD1])([OD1])[OD1])] +O 8 32 0 -4 12 SULFONATES, TERM OX ROSO3 [$([OD1][SD4]([OD1])[OD1])] +O 8 32 0 0 12 SULFONES, SULFONAMIDES [$([OD1][SD4][OD1,ND2]),$([OD1][SD3]([OD1,ND2])=C)] +O 8 32 0 -6 12 THIOSULFINATE O (-1/2) [$([OD1][SD3][OD1,SD1])] +O 8 32 0 0 12 SINGLE TERM O ON TET S #[$([OD1][#16])] +O 8 32 0 -6 12 TERMINAL O, O2P GROUP (RO [$([OD1][PD4]([OD1,SD1])([!$([OD1,SD1])])[!$([OD1,SD1])])] +O 8 32 0 -8 12 TERMINAL O, O3P GROUP ROP [$([OD1][PD4]([OD1])([OD1])[OD2,SD2])] +O 8 32 0 -9 12 TERMINAL O, PO4(-3) [$([OD1][PD4]([OD1])([OD1])[OD1])] +O 8 32 0 0 12 TERMINAL O, O-P [$([OD1][#15])] +O 8 32 0 -3 12 TERMINAL O IN CLO4(-) [$([OD1][ClD4]([OD1])([OD1])[OD1])] +O 8 7 0 0 2 O=C, GENERIC [$([#8D1]=[#6,#7,#16])] + + + + + +O 8 35 21 -12 1 RO- or HO- [OD1] + +F 9 11 0 0 1 FLUORINE [FD1] +F 9 89 0 -12 0 FLUORIDE ANION [FD0] +Na 11 93 0 12 0 SODIUM CATION [NaD0] +Mg 12 99 0 24 0 DIPOSITIVE MAGNESIUM CATI [MgD0] +Si 14 19 5 0 4 SILICON [SiD4] +P 15 25 71 0 4 GENERAL TETRACRD P [PD4] + + + + +P 15 26 71 0 3 TRICOORDINATE P [PD3] +P 15 75 71 0 3 P DOUBLY BONDED TO C [$([PD2]=C)] +S 16 18 0 0 4 SULFONAMIDE S [$([SD4]([OD1,ND2])[OD1,ND2]),$([SD3](=C)([OD1,ND2])[OD1,ND2])] + + + + +S 16 17 71 0 4 SULFOXIDE S (also S(=O)[N [$([SD3]([OD1,ND2])([#6,#7D3,#8D2])[#6,#7D3,#8D2])] +S 16 73 0 0 3 SULFUR IN SULFINATE [$([SD3]([OD1,SD1])[OD1])] + +S 16 44 0 0 2 S IN THIOPHENE [sD2r500] +S 16 15 71 0 2 THIOL, SULFIDE [$([SD2](-*)-*)] +S 16 74 0 0 4 SULFINYL SULFUR, C=S=O [$([SD2]([CD3])[OD1])] +S 16 72 0 -6 1 THIOCARBOXYLATE S [$([SD1][CD3][SD1])] + +S 16 16 0 0 2 S DOUBLY BONDED TO C [$([SD1]=[#6D3])] +S 16 72 0 -6 1 TERMINAL SULFUR ON C (P,S [$([SD1][#15,#6,#16][OD1])] +S 16 72 0 -12 1 TERMINAL SULFUR on alken [$([SD1][#6])] +S 16 72 0 0 1 TERMINAL SULFUR ON P [$([SD1][#15,#16])] +Cl 17 12 0 0 1 CHLORINE [ClD1] +Cl 17 77 0 0 4 CHLORINE IN CLO4(-) [$([ClD4]([OD1])([OD1])([OD1])[OD1])] +Cl 17 90 0 -12 0 CHLORIDE ANION [ClD0] +K 19 94 0 12 0 POTASSIUM CATION [KD0] +Ca 20 96 0 24 0 DIPOSITIVE CALCIUM CATION [CaD0] +Fe 26 87 0 24 0 IRON +2 CATION [FeD0+2] +Fe 26 88 0 36 0 IRON +3 CATION [FeD0+3] +Cu 29 97 0 12 0 MONOPOSITIVE COPPER CATIO [CuD0+1] +Cu 29 98 0 24 0 DIPOSITIVE COPPER CATION [CuD0+2] +Zn 30 95 0 24 0 DIPOSITIVE ZINC CATION [ZnD0+2] + +Br 35 13 0 0 1 BROMINE [BrD1] +Br 35 91 0 -12 0 BROMIDE ANION [BrD0] +I 53 14 0 0 1 IODINE [ID1] + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/qmpy/web/static/js/jsmol/j2s/JM/FF/data/UFF.txt b/qmpy/web/static/js/jsmol/j2s/JM/FF/data/UFF.txt index 97f6bc2f..c608cd15 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/FF/data/UFF.txt +++ b/qmpy/web/static/js/jsmol/j2s/JM/FF/data/UFF.txt @@ -26,7 +26,7 @@ atom [#4] Be3+2 Generic Be atom [#5] B_2 Trigonal planar boron atom [#5D4] B_3 Tetrahedral boron atom [#6] C_3 Generic sp3 C -atom [C^2] C_2 sp2 non-aromatic C= +atom [C^2] C_2 sp2 non-aromatic C= // BH ^ is handled in ForceFieldUFF.getSearch as connected(double) atom [C+1] C_2+ trivalent C (cation) // bh added Jmol 12.0.RC9 atom [C-1] C_3 trivalent C (anion) // bh added Jmol 12.0.RC9 atom [CA1] C_2 allylic C (anion or cation) // bh added Jmol 12.0.RC9 diff --git a/qmpy/web/static/js/jsmol/j2s/JM/FF/data/UFF_2d.txt b/qmpy/web/static/js/jsmol/j2s/JM/FF/data/UFF_2d.txt new file mode 100644 index 00000000..36e9e28b --- /dev/null +++ b/qmpy/web/static/js/jsmol/j2s/JM/FF/data/UFF_2d.txt @@ -0,0 +1,281 @@ +# +# Open Babel file: UFF.prm +# +# Force field parameters for UFF, the Universal Force Field +# Used by OBForceField and OBUFFForceField +# +# J. Am. Chem. Soc. (1992) 114(25) p. 10024-10035. +# The parameters in this file are taken from the UFF implementation in RDKit +# http://rdkit.org/ +# +# Atom typing rules are based on UFF published atom descriptions +# atom [SMARTS] [atomtype] [description] +# These must be sorted according to the element and complexity +# of the type rule (i.e., generic rules first, more specific rules later) +# +# MODIFIED 3/2008 by Bob Hanson for Jmol (bh) +# +# Parameters follow later +# param Atom r1 theta0 x1 D1 zeta Z1 Vi Uj Xi Hard Radius + +atom [#1] H_ Generic hydrogen +atom [#1D2] H_b Bridging hydrogen +atom [#2] He4+4 Helium +atom [#3] Li Lithium +atom [#4] Be3+2 Generic Be +atom [#5] B_2 Trigonal planar boron +atom [#5D4] B_3 Tetrahedral boron +atom [#6] C_3 Generic sp3 C +atom [C^2] C_2 sp2 non-aromatic C= // BH ^ is handled in ForceFieldUFF.getSearch as connected(double) +atom [C+1] C_2+ trivalent C (cation) // bh added Jmol 12.0.RC9 +atom [C-1] C_3 trivalent C (anion) // bh added Jmol 12.0.RC9 +###atom [CA1] C_2 allylic C (anion or cation) // bh added Jmol 12.0.RC9 +atom [C^1] C_1 sp hybridized C +atom [c] C_R aromatic C +atom [#7] N_3 Generic sp3 N +atom [NA1] N_2 allylic N or amide // bh added Jmol 12.0.RC9 +atom [N^2] N_2 sp2 non-aromatic N // bh was [ND2], but this improperly treats N-oxides +atom [N^1] N_1 sp hybridized N // bh was [ND1], but this is more specifically sp +atom [n] N_R aromatic N +atom [#8] O_3 generic, sp3 hybridized O +#atom [#8] O_3_z sp3 hybridized O for zeolites +atom [O^2] O_2 sp2 hybridized O +atom [O^1] O_1 sp hybridized O +atom [o] O_R aromatic O +atom [#9] F_ generic F +atom [#10] Ne4+4 +atom [#11] Na +atom [#12] Mg3+2 +atom [#13] Al3 +atom [#14] Si3 +atom [#15+5] P_3+5 formal charge +5 +#atom [#15] P_3+q Organometallic phosphine ligands +atom [#15] P_3+3 generic phosphorus +atom [#16] S_3+2 generic S +atom [#16+4] S_3+4 S+4 +atom [#16+6] S_3+6 S+6 +atom [S^2] S_2 non-aromatic sp2 S +atom [s] S_R aromatic S +atom [#17] Cl +atom [#18] Ar4+4 +atom [#19] K_ +atom [#20] Ca6+2 +atom [#21] Sc3+3 +atom [#22] Ti6+4 generic Ti (6-valent) +atom [#22D3] Ti3+4 +atom [#23] V_3+5 +atom [#24] Cr6+3 +atom [#25] Mn6+2 +atom [#26] Fe6+2 generic Fe (6-valent) +atom [#26D3] Fe3+2 +atom [#27] Co6+3 +atom [#28] Ni4+2 +atom [#29] Cu3+1 +atom [#30] Zn3+2 +atom [#31] Ga3+3 +atom [#32] Ge3 +atom [#33] As3+3 +atom [#34] Se3+2 +atom [#35] Br +atom [#36] Kr4+4 +atom [#37] Rb +atom [#38] Sr6+2 +atom [#39] Y_3+3 +atom [#40] Zr3+4 +atom [#41] Nb3+5 +atom [#42] Mo6+6 generic Mo (6-valent) +atom [#42D3] Mo3+6 trivalent Mo +atom [#43] Tc6+5 +atom [#44] Ru6+2 +atom [#45] Rh6+3 +atom [#46] Pd4+2 +atom [#47] Ag1+1 +atom [#48] Cd3+2 +atom [#49] In3+3 +atom [#50] Sn3 +atom [#51] Sb3+3 +atom [#52] Te3+2 +atom [#53] I_ +atom [#54] Xe4+4 +atom [#55] Cs +atom [#56] Ba6+2 +atom [#57] La3+3 +atom [#58] Ce6+3 +atom [#59] Pr6+3 +atom [#60] Nd6+3 +atom [#61] Pm6+3 +atom [#62] Sm6+3 +atom [#63] Eu6+3 +atom [#64] Gd6+3 +atom [#65] Tb6+3 +atom [#66] Dy6+3 +atom [#67] Ho6+3 +atom [#68] Er6+3 +atom [#69] Tm6+3 +atom [#70] Yb6+3 +atom [#71] Lu6+3 +atom [#72] Hf3+4 +atom [#73] Ta3+5 +atom [#74] W_6+6 generic W (6-valent) +atom [#74D3+4] W_3+4 +atom [#74D3+6] W_3+6 +atom [#75] Re6+5 generic Re (6-valent) +atom [#75D3] Re3+7 trivalent Re +atom [#76] Os6+6 +atom [#77] Ir6+3 +atom [#78] Pt4+2 +atom [#79] Au4+3 +atom [#80] Hg1+2 +atom [#81] Tl3+3 +atom [#82] Pb3 +atom [#83] Bi3+3 +atom [#84] Po3+2 +atom [#85] At +atom [#86] Rn4+4 +atom [#87] Fr +atom [#88] Ra6+2 +atom [#89] Ac6+3 +atom [#90] Th6+4 +atom [#91] Pa6+4 +atom [#92] U_6+4 +atom [#93] Np6+4 +atom [#94] Pu6+4 +atom [#95] Am6+4 +atom [#96] Cm6+3 +atom [#97] Bk6+3 +atom [#98] Cf6+3 +atom [#99] Es6+3 +atom [#100] Fm6+3 +atom [#101] Md6+3 +atom [#102] No6+3 +atom [#103] Lw6+3 + +# Atom r1 theta0 x1 D1 zeta Z1 Vi Uj Xi Hard Radius +param H_ 0.354 180 2.886 0.044 12 0.712 0 0 4.528 6.9452 0.371 +param H_b 0.46 83.5 2.886 0.044 12 0.712 0 0 4.528 6.9452 0.371 +param He4+4 0.849 90 2.362 0.056 15.24 0.098 0 0 9.66 14.92 1.3 +param Li 1.336 180 2.451 0.025 12 1.026 0 2 3.006 2.386 1.557 +param Be3+2 1.074 109.47 2.745 0.085 12 1.565 0 2 4.877 4.443 1.24 +param B_3 0.838 109.47 4.083 0.18 12.052 1.755 0 2 5.11 4.75 0.822 +param B_2 0.828 120 4.083 0.18 12.052 1.755 0 2 5.11 4.75 0.822 +param C_3 0.757 109.47 3.851 0.105 12.73 1.912 2.119 2 5.343 5.063 0.759 +param C_R 0.729 120 3.851 0.105 12.73 1.912 0 2 5.343 5.063 0.759 +param C_2 0.732 120 3.851 0.105 12.73 1.912 0 2 5.343 5.063 0.759 +param C_2+ 0.732 120 6.851 0.105 12.73 1.912 0 2 5.343 5.063 0.759 +param C_1 0.706 180 3.851 0.105 12.73 1.912 0 2 5.343 5.063 0.759 +param N_3 0.7 106.7 3.66 0.069 13.407 2.544 0.45 2 6.899 5.88 0.715 +param N_R 0.699 120 3.66 0.069 13.407 2.544 0 2 6.899 5.88 0.715 +param N_2 0.685 111.2 3.66 0.069 13.407 2.544 0 2 6.899 5.88 0.715 +param N_1 0.656 180 3.66 0.069 13.407 2.544 0 2 6.899 5.88 0.715 +param O_3 0.658 104.51 3.5 0.06 14.085 2.3 0.018 2 8.741 6.682 0.669 +param O_3_z 0.528 146 3.5 0.06 14.085 2.3 0.018 2 8.741 6.682 0.669 +param O_R 0.68 110 3.5 0.06 14.085 2.3 0 2 8.741 6.682 0.669 +param O_2 0.634 120 3.5 0.06 14.085 2.3 0 2 8.741 6.682 0.669 +param O_1 0.639 180 3.5 0.06 14.085 2.3 0 2 8.741 6.682 0.669 +param F_ 0.668 180 3.364 0.05 14.762 1.735 0 2 10.874 7.474 0.706 +param Ne4+4 0.92 90 3.243 0.042 15.44 0.194 0 2 11.04 10.55 1.768 +param Na 1.539 180 2.983 0.03 12 1.081 0 1.25 2.843 2.296 2.085 +param Mg3+2 1.421 109.47 3.021 0.111 12 1.787 0 1.25 3.951 3.693 1.5 +param Al3 1.244 109.47 4.499 0.505 11.278 1.792 0 1.25 4.06 3.59 1.201 +param Si3 1.117 109.47 4.295 0.402 12.175 2.323 1.225 1.25 4.168 3.487 1.176 +param P_3+3 1.101 93.8 4.147 0.305 13.072 2.863 2.4 1.25 5.463 4 1.102 +param P_3+5 1.056 109.47 4.147 0.305 13.072 2.863 2.4 1.25 5.463 4 1.102 +param P_3+q 1.056 109.47 4.147 0.305 13.072 2.863 2.4 1.25 5.463 4 1.102 +param S_3+2 1.064 92.1 4.035 0.274 13.969 2.703 0.484 1.25 6.928 4.486 1.047 +param S_3+4 1.049 103.2 4.035 0.274 13.969 2.703 0.484 1.25 6.928 4.486 1.047 +param S_3+6 1.027 109.47 4.035 0.274 13.969 2.703 0.484 1.25 6.928 4.486 1.047 +param S_R 1.077 92.2 4.035 0.274 13.969 2.703 0 1.25 6.928 4.486 1.047 +param S_2 0.854 120 4.035 0.274 13.969 2.703 0 1.25 6.928 4.486 1.047 +param Cl 1.044 180 3.947 0.227 14.866 2.348 0 1.25 8.564 4.946 0.994 +param Ar4+4 1.032 90 3.868 0.185 15.763 0.3 0 1.25 9.465 6.355 2.108 +param K_ 1.953 180 3.812 0.035 12 1.165 0 0.7 2.421 1.92 2.586 +param Ca6+2 1.761 90 3.399 0.238 12 2.141 0 0.7 3.231 2.88 2 +param Sc3+3 1.513 109.47 3.295 0.019 12 2.592 0 0.7 3.395 3.08 1.75 +param Ti3+4 1.412 109.47 3.175 0.017 12 2.659 0 0.7 3.47 3.38 1.607 +param Ti6+4 1.412 90 3.175 0.017 12 2.659 0 0.7 3.47 3.38 1.607 +param V_3+5 1.402 109.47 3.144 0.016 12 2.679 0 0.7 3.65 3.41 1.47 +param Cr6+3 1.345 90 3.023 0.015 12 2.463 0 0.7 3.415 3.865 1.402 +param Mn6+2 1.382 90 2.961 0.013 12 2.43 0 0.7 3.325 4.105 1.533 +param Fe3+2 1.27 109.47 2.912 0.013 12 2.43 0 0.7 3.76 4.14 1.393 +param Fe6+2 1.335 90 2.912 0.013 12 2.43 0 0.7 3.76 4.14 1.393 +param Co6+3 1.241 90 2.872 0.014 12 2.43 0 0.7 4.105 4.175 1.406 +param Ni4+2 1.164 90 2.834 0.015 12 2.43 0 0.7 4.465 4.205 1.398 +param Cu3+1 1.302 109.47 3.495 0.005 12 1.756 0 0.7 4.2 4.22 1.434 +param Zn3+2 1.193 109.47 2.763 0.124 12 1.308 0 0.7 5.106 4.285 1.4 +param Ga3+3 1.26 109.47 4.383 0.415 11 1.821 0 0.7 3.641 3.16 1.211 +param Ge3 1.197 109.47 4.28 0.379 12 2.789 0.701 0.7 4.051 3.438 1.189 +param As3+3 1.211 92.1 4.23 0.309 13 2.864 1.5 0.7 5.188 3.809 1.204 +param Se3+2 1.19 90.6 4.205 0.291 14 2.764 0.335 0.7 6.428 4.131 1.224 +param Br 1.192 180 4.189 0.251 15 2.519 0 0.7 7.79 4.425 1.141 +param Kr4+4 1.147 90 4.141 0.22 16 0.452 0 0.7 8.505 5.715 2.27 +param Rb 2.26 180 4.114 0.04 12 1.592 0 0.2 2.331 1.846 2.77 +param Sr6+2 2.052 90 3.641 0.235 12 2.449 0 0.2 3.024 2.44 2.415 +param Y_3+3 1.698 109.47 3.345 0.072 12 3.257 0 0.2 3.83 2.81 1.998 +param Zr3+4 1.564 109.47 3.124 0.069 12 3.667 0 0.2 3.4 3.55 1.758 +param Nb3+5 1.473 109.47 3.165 0.059 12 3.618 0 0.2 3.55 3.38 1.603 +param Mo6+6 1.467 90 3.052 0.056 12 3.4 0 0.2 3.465 3.755 1.53 +param Mo3+6 1.484 109.47 3.052 0.056 12 3.4 0 0.2 3.465 3.755 1.53 +param Tc6+5 1.322 90 2.998 0.048 12 3.4 0 0.2 3.29 3.99 1.5 +param Ru6+2 1.478 90 2.963 0.056 12 3.4 0 0.2 3.575 4.015 1.5 +param Rh6+3 1.332 90 2.929 0.053 12 3.5 0 0.2 3.975 4.005 1.509 +param Pd4+2 1.338 90 2.899 0.048 12 3.21 0 0.2 4.32 4 1.544 +param Ag1+1 1.386 180 3.148 0.036 12 1.956 0 0.2 4.436 3.134 1.622 +param Cd3+2 1.403 109.47 2.848 0.228 12 1.65 0 0.2 5.034 3.957 1.6 +param In3+3 1.459 109.47 4.463 0.599 11 2.07 0 0.2 3.506 2.896 1.404 +param Sn3 1.398 109.47 4.392 0.567 12 2.961 0.199 0.2 3.987 3.124 1.354 +param Sb3+3 1.407 91.6 4.42 0.449 13 2.704 1.1 0.2 4.899 3.342 1.404 +param Te3+2 1.386 90.25 4.47 0.398 14 2.882 0.3 0.2 5.816 3.526 1.38 +param I_ 1.382 180 4.5 0.339 15 2.65 0 0.2 6.822 3.762 1.333 +param Xe4+4 1.267 90 4.404 0.332 12 0.556 0 0.2 7.595 4.975 2.459 +param Cs 2.57 180 4.517 0.045 12 1.573 0 0.1 2.183 1.711 2.984 +param Ba6+2 2.277 90 3.703 0.364 12 2.727 0 0.1 2.814 2.396 2.442 +param La3+3 1.943 109.47 3.522 0.017 12 3.3 0 0.1 2.8355 2.7415 2.071 +param Ce6+3 1.841 90 3.556 0.013 12 3.3 0 0.1 2.774 2.692 1.925 +param Pr6+3 1.823 90 3.606 0.01 12 3.3 0 0.1 2.858 2.564 2.007 +param Nd6+3 1.816 90 3.575 0.01 12 3.3 0 0.1 2.8685 2.6205 2.007 +param Pm6+3 1.801 90 3.547 0.009 12 3.3 0 0.1 2.881 2.673 2 +param Sm6+3 1.78 90 3.52 0.008 12 3.3 0 0.1 2.9115 2.7195 1.978 +param Eu6+3 1.771 90 3.493 0.008 12 3.3 0 0.1 2.8785 2.7875 2.227 +param Gd6+3 1.735 90 3.368 0.009 12 3.3 0 0.1 3.1665 2.9745 1.968 +param Tb6+3 1.732 90 3.451 0.007 12 3.3 0 0.1 3.018 2.834 1.954 +param Dy6+3 1.71 90 3.428 0.007 12 3.3 0 0.1 3.0555 2.8715 1.934 +param Ho6+3 1.696 90 3.409 0.007 12 3.416 0 0.1 3.127 2.891 1.925 +param Er6+3 1.673 90 3.391 0.007 12 3.3 0 0.1 3.1865 2.9145 1.915 +param Tm6+3 1.66 90 3.374 0.006 12 3.3 0 0.1 3.2514 2.9329 2 +param Yb6+3 1.637 90 3.355 0.228 12 2.618 0 0.1 3.2889 2.965 2.158 +param Lu6+3 1.671 90 3.64 0.041 12 3.271 0 0.1 2.9629 2.4629 1.896 +param Hf3+4 1.611 109.47 3.141 0.072 12 3.921 0 0.1 3.7 3.4 1.759 +param Ta3+5 1.511 109.47 3.17 0.081 12 4.075 0 0.1 5.1 2.85 1.605 +param W_6+6 1.392 90 3.069 0.067 12 3.7 0 0.1 4.63 3.31 1.538 +param W_3+4 1.526 109.47 3.069 0.067 12 3.7 0 0.1 4.63 3.31 1.538 +param W_3+6 1.38 109.47 3.069 0.067 12 3.7 0 0.1 4.63 3.31 1.538 +param Re6+5 1.372 90 2.954 0.066 12 3.7 0 0.1 3.96 3.92 1.6 +param Re3+7 1.314 109.47 2.954 0.066 12 3.7 0 0.1 3.96 3.92 1.6 +param Os6+6 1.372 90 3.12 0.037 12 3.7 0 0.1 5.14 3.63 1.7 +param Ir6+3 1.371 90 2.84 0.073 12 3.731 0 0.1 5 4 1.866 +param Pt4+2 1.364 90 2.754 0.08 12 3.382 0 0.1 4.79 4.43 1.557 +param Au4+3 1.262 90 3.293 0.039 12 2.625 0 0.1 4.894 2.586 1.618 +param Hg1+2 1.34 180 2.705 0.385 12 1.75 0 0.1 6.27 4.16 1.6 +param Tl3+3 1.518 120 4.347 0.68 11 2.068 0 0.1 3.2 2.9 1.53 +param Pb3 1.459 109.47 4.297 0.663 12 2.846 0.1 0.1 3.9 3.53 1.444 +param Bi3+3 1.512 90 4.37 0.518 13 2.47 1 0.1 4.69 3.74 1.514 +param Po3+2 1.5 90 4.709 0.325 14 2.33 0.3 0.1 4.21 4.21 1.48 +param At 1.545 180 4.75 0.284 15 2.24 0 0.1 4.75 4.75 1.47 +param Rn4+4 1.42 90 4.765 0.248 16 0.583 0 0.1 5.37 5.37 2.2 +param Fr 2.88 180 4.9 0.05 12 1.847 0 0 2 2 2.3 +param Ra6+2 2.512 90 3.677 0.404 12 2.92 0 0 2.843 2.434 2.2 +param Ac6+3 1.983 90 3.478 0.033 12 3.9 0 0 2.835 2.835 2.108 +param Th6+4 1.721 90 3.396 0.026 12 4.202 0 0 3.175 2.905 2.018 +param Pa6+4 1.711 90 3.424 0.022 12 3.9 0 0 2.985 2.905 1.8 +param U_6+4 1.684 90 3.395 0.022 12 3.9 0 0 3.341 2.853 1.713 +param Np6+4 1.666 90 3.424 0.019 12 3.9 0 0 3.549 2.717 1.8 +param Pu6+4 1.657 90 3.424 0.016 12 3.9 0 0 3.243 2.819 1.84 +param Am6+4 1.66 90 3.381 0.014 12 3.9 0 0 2.9895 3.0035 1.942 +param Cm6+3 1.801 90 3.326 0.013 12 3.9 0 0 2.8315 3.1895 1.9 +param Bk6+3 1.761 90 3.339 0.013 12 3.9 0 0 3.1935 3.0355 1.9 +param Cf6+3 1.75 90 3.313 0.013 12 3.9 0 0 3.197 3.101 1.9 +param Es6+3 1.724 90 3.299 0.012 12 3.9 0 0 3.333 3.089 1.9 +param Fm6+3 1.712 90 3.286 0.012 12 3.9 0 0 3.4 3.1 1.9 +param Md6+3 1.689 90 3.274 0.011 12 3.9 0 0 3.47 3.11 1.9 +param No6+3 1.679 90 3.248 0.011 12 3.9 0 0 3.475 3.175 1.9 +param Lw6+3 1.698 90 3.236 0.011 12 3.9 0 0 3.5 3.2 1.9 diff --git a/qmpy/web/static/js/jsmol/j2s/JM/FF/data/mmff94_2d.par.txt b/qmpy/web/static/js/jsmol/j2s/JM/FF/data/mmff94_2d.par.txt new file mode 100644 index 00000000..e7d24c61 --- /dev/null +++ b/qmpy/web/static/js/jsmol/j2s/JM/FF/data/mmff94_2d.par.txt @@ -0,0 +1,5058 @@ +15. MMFFPBCI.PAR: This file supplies "partial-bond-charge-increment" + parameters used in the empirical rule employed to assign + missing bond-charge-increment parameters. It also specifies + the "formal-charge-sharing" parameters used to assemble the + MMFF94 partiial atomic charges for systems or groups + that have a negative formal charge. +* +* Copyright (c) Merck and Co., Inc., 1994, 1995, 1996 +* All Rights Reserved +* +* MMFF Partial Bond Charge Incs and Formal-Charge Adj. Factors: 19-MAY-1994 +* +* type pbci fcadj Origin/Comment +0 1 0.000 0.000 E94 +0 2 -0.135 0.000 E94 +0 3 -0.095 0.000 E94 +0 4 -0.200 0.000 E94 +0 5 -0.023 0.000 E94 +0 6 -0.243 0.000 E94 +0 7 -0.687 0.000 E94 +0 8 -0.253 0.000 E94 +0 9 -0.306 0.000 E94 +0 10 -0.244 0.000 E94 +0 11 -0.317 0.000 E94 +0 12 -0.304 0.000 E94 +0 13 -0.238 0.000 E94 +0 14 -0.208 0.000 E94 +0 15 -0.236 0.000 E94 +0 16 -0.475 0.000 E94 +0 17 -0.191 0.000 E94 +0 18 -0.118 0.000 E94 +0 19 0.094 0.000 E94 +0 20 -0.019 0.000 E94 +0 21 0.157 0.000 E94 +0 22 -0.095 0.000 E94 +0 23 0.193 0.000 E94 +0 24 0.257 0.000 E94 +0 25 0.012 0.000 E94 +0 26 -0.142 0.000 E94 +0 27 0.094 0.000 E94 +0 28 0.058 0.000 E94 +0 29 0.207 0.000 E94 +0 30 -0.166 0.000 E94 +0 31 0.161 0.000 E94 +0 32 -0.732 0.500 E94 +0 33 0.257 0.000 E94 +0 34 -0.491 0.000 E94 +0 35 -0.456 0.500 E94 +0 36 -0.031 0.000 E94 +0 37 -0.127 0.000 E94 +0 38 -0.437 0.000 E94 +0 39 -0.104 0.000 E94 +0 40 -0.264 0.000 E94 +0 41 0.052 0.000 E94 +0 42 -0.757 0.000 E94 +0 43 -0.326 0.000 E94 +0 44 -0.237 0.000 E94 +0 45 -0.260 0.000 E94 +0 46 -0.429 0.000 E94 +0 47 -0.418 0.000 E94 +0 48 -0.525 0.000 E94 +0 49 -0.283 0.000 E94 +0 50 0.284 0.000 E94 +0 51 -1.046 0.000 E94 +0 52 -0.546 0.000 E94 +0 53 -0.048 0.000 E94 +0 54 -0.424 0.000 E94 +0 55 -0.476 0.000 E94 +0 56 -0.438 0.000 E94 +0 57 -0.105 0.000 E94 +0 58 -0.488 0.000 E94 +0 59 -0.337 0.000 E94 +0 60 -0.635 0.000 E94 +0 61 -0.265 0.000 E94 +0 62 -0.125 0.250 E94 +0 63 -0.180 0.000 E94 +0 64 -0.181 0.000 E94 +0 65 -0.475 0.000 E94 +0 66 -0.467 0.000 E94 +0 67 -0.099 0.000 == 69 +0 68 -0.135 0.000 E94 +0 69 -0.099 0.000 E94 +0 70 -0.269 0.000 E94 +0 71 -0.071 0.000 E94 +0 72 -0.580 0.500 E94 +0 73 -0.200 0.000 E94 +0 74 -0.301 0.000 E94 +0 75 -0.255 0.000 E94 +0 76 -0.568 0.250 E94 +0 77 -0.282 0.000 E94 +0 78 -0.168 0.000 E94 +0 79 -0.471 0.000 == (65+66)/2 +0 80 -0.144 0.000 E94 +0 81 -0.514 0.000 E94 +0 82 -0.099 0.000 == 69 +0 83 0.000 0.000 Unused +0 84 0.000 0.000 Unused +0 85 0.000 0.000 Unused +0 86 0.000 0.000 Unused +0 87 2.000 0.000 Ionic charge +0 88 3.000 0.000 Ionic charge +0 89 -1.000 0.000 Ionic charge +0 90 -1.000 0.000 Ionic charge +0 91 -1.000 0.000 Ionic charge +0 92 1.000 0.000 Ionic charge +0 93 1.000 0.000 Ionic charge +0 94 1.000 0.000 Ionic charge +0 95 2.000 0.000 Ionic charge +0 96 2.000 0.000 Ionic charge +0 97 1.000 0.000 Ionic charge +0 98 2.000 0.000 Ionic charge +0 99 2.000 0.000 Ionic charge +$ +14. MMFFCHG.PAR: This file supplies bond-charge-increment parameters used to + construct MMFF94 partial atomic charges. +* +* Copyright (c) Merck and Co., Inc., 1994, 1995, 1996 +* All Rights Reserved +* +* MMFF BOND-CHARGE INCREMENTS - Rev: 26-OCT-94 Source: MMFF94 +* C94 - CORE MMFF94 parameter, obtained from fit to dipole moments +* #C94 - CORE MMFF94 parameter, either fixed or adjusted to fit +* HF/6-31G* interaction energies +* X94 - EXTD MMFF94 parameter, obtained from fit to dipole moments +* #X94 - EXTD MMFF94 parameter, fixed in the fit to dipole moments +* E94 - derived from partial bond charge increments (empirical rule) +* +* types bci Source +0 1 1 0.0000 #C94 +0 1 2 -0.1382 C94 +0 1 3 -0.0610 #C94 +0 1 4 -0.2000 #X94 +0 1 5 0.0000 #C94 +0 1 6 -0.2800 #C94 +0 1 8 -0.2700 #C94 +0 1 9 -0.2460 #C94 +0 1 10 -0.3001 C94 +0 1 11 -0.3400 #C94 +0 1 12 -0.2900 #C94 +0 1 13 -0.2300 #X94 +0 1 14 -0.1900 #X94 +0 1 15 -0.2300 #C94 +0 1 17 -0.1935 X94 +0 1 18 -0.1052 X94 +0 1 19 0.0805 X94 +0 1 20 0.0000 #C94 +0 1 22 -0.0950 E94 +0 1 25 0.0000 #X94 +0 1 26 -0.1669 X94 +0 1 34 -0.5030 C94 +0 1 35 -0.4274 X94 +0 1 37 -0.1435 C94 +0 1 39 -0.2556 C94 +0 1 40 -0.3691 C94 +0 1 41 0.1060 #C94 +0 1 43 -0.3557 X94 +0 1 45 -0.2402 X94 +0 1 46 -0.3332 X94 +0 1 54 -0.3461 C94 +0 1 55 -0.4895 C94 +0 1 56 -0.3276 C94 +0 1 57 -0.1050 E94 +0 1 58 -0.4880 E94 +0 1 61 -0.2657 X94 +0 1 62 -0.2000 #X94 +0 1 63 -0.1800 E94 +0 1 64 -0.1810 E94 +0 1 67 -0.0990 E94 +0 1 68 -0.2560 #C94 +0 1 72 -0.5500 #X94 +0 1 73 -0.0877 X94 +0 1 75 -0.2550 E94 +0 1 78 -0.1680 E94 +0 1 80 -0.1440 E94 +0 1 81 -0.5140 E94 +0 2 2 0.0000 #C94 +1 2 2 0.0000 #C94 +1 2 3 -0.0144 C94 +0 2 4 -0.0650 E94 +1 2 4 -0.0650 E94 +0 2 5 0.1500 #C94 +0 2 6 -0.0767 C94 +1 2 9 -0.1710 E94 +0 2 10 -0.1090 E94 +0 2 11 -0.1495 X94 +0 2 12 -0.1400 #X94 +0 2 13 -0.1100 #X94 +0 2 14 -0.0900 #X94 +0 2 15 -0.1010 E94 +0 2 17 -0.0560 E94 +0 2 18 0.0170 E94 +0 2 19 0.2290 E94 +0 2 20 0.1160 E94 +0 2 22 0.0400 E94 +0 2 25 0.1470 E94 +0 2 30 -0.0310 E94 +0 2 34 -0.3560 E94 +0 2 35 -0.3500 #X94 +1 2 37 0.0284 C94 +1 2 39 0.0310 E94 +0 2 40 -0.1000 #C94 +0 2 41 0.2500 #C94 +0 2 43 -0.1910 E94 +0 2 45 -0.2044 X94 +0 2 46 -0.2940 E94 +0 2 55 -0.3410 E94 +0 2 56 -0.3030 E94 +0 2 62 -0.0500 #X94 +1 2 63 -0.0450 E94 +1 2 64 -0.0460 E94 +1 2 67 0.0360 E94 +0 2 72 -0.4500 #X94 +1 2 81 -0.3790 E94 +1 3 3 0.0000 #C94 +1 3 4 -0.1050 E94 +0 3 5 0.0600 #C94 +0 3 6 -0.1500 #C94 +0 3 7 -0.5700 #C94 +0 3 9 -0.4500 #C94 +1 3 9 -0.2110 E94 +0 3 10 -0.0600 C94 +0 3 11 -0.2220 E94 +0 3 12 -0.2090 E94 +0 3 15 -0.1410 E94 +0 3 16 -0.3800 #X94 +0 3 17 -0.0960 E94 +0 3 18 -0.0230 E94 +0 3 20 0.0530 #C94 +0 3 22 0.0000 E94 +0 3 25 0.1070 E94 +1 3 30 -0.0710 E94 +0 3 35 -0.3610 E94 +1 3 37 0.0862 C94 +1 3 39 -0.0090 E94 +0 3 40 -0.0500 #C94 +0 3 41 0.1470 E94 +0 3 43 -0.2363 X94 +0 3 45 -0.1650 E94 +0 3 48 -0.4300 E94 +0 3 51 -0.9500 #X94 +0 3 53 -0.0134 X94 +0 3 54 -0.4000 #C94 +1 3 54 -0.3290 E94 +0 3 55 -0.3810 E94 +0 3 56 -0.3430 E94 +1 3 57 -0.0100 E94 +1 3 58 -0.3930 E94 +0 3 62 -0.0300 E94 +1 3 63 -0.0850 E94 +1 3 64 -0.0860 E94 +0 3 67 -0.0040 E94 +0 3 74 -0.3190 X94 +0 3 75 -0.2474 X94 +1 3 78 -0.0730 E94 +1 3 80 -0.0490 E94 +0 4 5 0.1770 E94 +0 4 6 -0.0430 E94 +0 4 7 -0.4870 E94 +0 4 9 -0.3000 E94 +1 4 9 -0.1060 E94 +0 4 10 -0.0440 E94 +0 4 15 -0.0360 E94 +0 4 20 0.1810 E94 +0 4 22 0.1050 E94 +0 4 30 0.0340 E94 +1 4 37 0.0730 E94 +0 4 40 -0.0640 E94 +0 4 42 -0.5571 X94 +0 4 43 -0.1260 E94 +1 4 63 0.0200 E94 +1 4 64 0.0190 E94 +0 5 19 0.2000 #X94 +0 5 20 0.0000 #C94 +0 5 22 -0.1000 #C94 +0 5 30 -0.1500 #C94 +0 5 37 -0.1500 #C94 +0 5 41 0.2203 C94 +0 5 57 -0.1500 #C94 +0 5 63 -0.1500 #C94 +0 5 64 -0.1500 #C94 +0 5 78 -0.1500 #C94 +0 5 80 -0.1500 #C94 +0 6 6 0.0000 #C94 +0 6 8 -0.1000 #C94 +0 6 9 -0.0630 E94 +0 6 10 0.0355 C94 +0 6 15 0.0070 E94 +0 6 17 0.0520 E94 +0 6 18 0.1837 X94 +0 6 19 0.2974 X94 +0 6 20 0.2579 C94 +0 6 21 0.4000 #C94 +0 6 22 0.1480 E94 +0 6 24 0.5000 #C94 +0 6 25 0.2712 X94 +0 6 26 0.1010 E94 +0 6 29 0.4500 #C94 +0 6 30 0.0770 E94 +0 6 33 0.5000 #X94 +0 6 37 0.0825 C94 +0 6 39 0.1390 E94 +0 6 40 -0.0210 E94 +0 6 41 0.2950 E94 +0 6 43 -0.0830 E94 +0 6 45 -0.0090 X94 +0 6 54 -0.1810 E94 +0 6 55 -0.2330 E94 +0 6 57 0.1380 E94 +0 6 58 -0.2450 E94 +0 6 63 0.0630 E94 +0 6 64 0.0620 E94 +0 7 17 0.5000 #X94 +0 7 46 0.1618 X94 +0 7 74 0.5000 #X94 +0 8 8 0.0000 #C94 +0 8 9 -0.0530 E94 +0 8 10 0.0090 E94 +0 8 12 -0.0510 E94 +0 8 15 0.0170 E94 +0 8 17 0.0620 E94 +0 8 19 0.3470 E94 +0 8 20 0.2096 C94 +0 8 22 0.1580 E94 +0 8 23 0.3600 #C94 +0 8 25 0.2679 X94 +0 8 26 0.1110 E94 +0 8 34 -0.2380 E94 +0 8 39 0.1490 E94 +0 8 40 -0.0110 E94 +0 8 43 -0.0730 E94 +0 8 45 -0.0070 E94 +0 8 46 -0.1760 E94 +0 8 55 -0.2230 E94 +0 8 56 -0.1850 E94 +0 9 9 0.0000 #C94 +0 9 10 0.0620 E94 +0 9 12 0.0020 E94 +0 9 15 0.0700 E94 +0 9 18 0.1880 E94 +0 9 19 0.4000 E94 +0 9 20 0.2870 E94 +0 9 25 0.3180 E94 +0 9 27 0.4000 #C94 +0 9 34 -0.1850 E94 +0 9 35 -0.1500 E94 +1 9 37 0.1790 E94 +1 9 39 0.2020 E94 +0 9 40 0.0420 E94 +0 9 41 0.3580 E94 +0 9 45 0.0460 E94 +0 9 53 0.3179 X94 +0 9 54 -0.1180 E94 +0 9 55 -0.1700 E94 +0 9 56 -0.1320 E94 +1 9 57 0.2010 E94 +0 9 62 0.1810 E94 +1 9 63 0.1260 E94 +1 9 64 0.1250 E94 +0 9 67 0.2070 E94 +1 9 78 0.1380 E94 +1 9 81 -0.2080 E94 +0 10 10 0.0000 #C94 +0 10 13 0.0060 E94 +0 10 14 0.0360 E94 +0 10 15 0.0080 E94 +0 10 17 0.0530 E94 +0 10 20 0.2250 E94 +0 10 22 0.1490 E94 +0 10 25 0.2560 E94 +0 10 26 0.1020 E94 +0 10 28 0.3700 #C94 +0 10 34 -0.2470 E94 +0 10 35 -0.2120 E94 +0 10 37 0.1170 E94 +0 10 39 0.1400 E94 +0 10 40 -0.0200 E94 +0 10 41 0.2960 E94 +0 10 45 -0.0160 E94 +0 10 63 0.0640 E94 +0 10 64 0.0630 E94 +0 11 20 0.2980 E94 +0 11 22 0.2317 X94 +0 11 25 0.3290 E94 +0 11 26 0.1750 E94 +0 11 37 0.1900 E94 +0 11 40 0.0530 E94 +0 12 15 0.0680 E94 +0 12 18 0.1860 E94 +0 12 19 0.3701 X94 +0 12 20 0.2900 #C94 +0 12 22 0.2273 X94 +0 12 25 0.3160 E94 +0 12 26 0.2112 X94 +0 12 37 0.1770 E94 +0 12 40 0.0400 E94 +0 12 57 0.1990 E94 +0 12 63 0.1240 E94 +0 12 64 0.1230 E94 +0 13 20 0.2190 E94 +0 13 22 0.1430 E94 +0 13 37 0.1110 E94 +0 13 64 0.0570 E94 +0 14 20 0.1890 E94 +0 14 37 0.0810 E94 +0 15 15 0.0000 #C94 +0 15 18 0.1180 E94 +0 15 19 0.3300 E94 +0 15 20 0.2170 E94 +0 15 22 0.1410 E94 +0 15 25 0.2480 E94 +0 15 26 0.0940 E94 +0 15 30 0.0700 E94 +0 15 37 0.1015 C94 +0 15 40 -0.0280 E94 +0 15 43 -0.0900 E94 +0 15 57 0.1310 E94 +0 15 63 0.0560 E94 +0 15 64 0.0550 E94 +0 15 71 0.1800 #C94 +0 16 16 0.0000 #C94 +0 17 17 0.0000 #X94 +0 17 20 0.1720 E94 +0 17 22 0.0960 E94 +0 17 37 0.0640 E94 +0 17 43 -0.1350 E94 +0 18 18 0.0000 #X94 +0 18 20 0.0990 E94 +0 18 22 0.0230 E94 +0 18 32 -0.6500 #X94 +0 18 37 -0.0090 E94 +0 18 39 0.0140 E94 +0 18 43 -0.1380 X94 +0 18 48 -0.5895 X94 +0 18 55 -0.3580 E94 +0 18 58 -0.3700 E94 +0 18 62 0.2099 X94 +0 18 63 -0.0620 E94 +0 18 64 -0.0630 E94 +0 18 80 -0.0260 E94 +0 19 19 0.0000 #X94 +0 19 20 -0.1130 E94 +0 19 37 -0.2210 E94 +0 19 40 -0.3580 E94 +0 19 63 -0.2740 E94 +0 19 75 -0.3490 E94 +0 20 20 0.0000 #C94 +0 20 22 -0.0760 E94 +0 20 25 0.0310 E94 +0 20 26 -0.1230 E94 +0 20 30 -0.1380 #C94 +0 20 34 -0.4720 E94 +0 20 37 -0.1080 E94 +0 20 40 -0.2450 E94 +0 20 41 0.0710 E94 +0 20 43 -0.3070 E94 +0 20 45 -0.2410 E94 +0 22 22 0.0000 #C94 +0 22 30 -0.0710 E94 +0 22 34 -0.3960 E94 +0 22 37 -0.0320 E94 +0 22 40 -0.1690 E94 +0 22 41 0.1470 E94 +0 22 43 -0.2310 E94 +0 22 45 -0.1650 E94 +0 23 39 -0.2700 #C94 +0 23 62 -0.4000 #X94 +0 23 67 -0.2920 E94 +0 23 68 -0.3600 #C94 +0 25 25 0.0000 #X94 +0 25 32 -0.7000 #X94 +0 25 37 -0.1390 E94 +0 25 39 -0.1160 E94 +0 25 40 -0.2760 E94 +0 25 43 -0.3380 E94 +0 25 57 -0.1170 E94 +0 25 63 -0.1920 E94 +0 25 71 -0.0362 X94 +0 25 72 -0.6773 X94 +0 26 26 0.0000 #X94 +0 26 34 -0.3490 E94 +0 26 37 0.0150 E94 +0 26 40 -0.1220 E94 +0 26 71 0.0960 X94 +0 28 40 -0.4000 #C94 +0 28 43 -0.4200 #X94 +0 28 48 -0.4000 #X94 +0 30 30 0.0000 #C94 +0 30 40 -0.0980 E94 +1 30 67 0.0670 E94 +0 31 70 -0.4300 #C94 +0 32 41 0.6500 #C94 +0 32 45 0.5200 #X94 +0 32 67 0.6330 E94 +0 32 68 0.7500 #C94 +0 32 69 0.7500 #C94 +0 32 73 0.3500 #X94 +0 32 77 0.4500 #X94 +0 32 82 0.6330 E94 +0 34 36 0.4500 #C94 +0 34 37 0.3640 E94 +0 34 43 0.1650 E94 +0 35 37 0.3290 E94 +0 35 63 0.2760 E94 +0 36 54 -0.4000 #C94 +0 36 55 -0.4500 #C94 +0 36 56 -0.4500 #C94 +0 36 58 -0.4570 E94 +4 36 58 -0.4500 #C94 +0 36 81 -0.4500 #C94 +0 37 37 0.0000 #C94 +1 37 37 0.0000 #C94 +0 37 38 -0.3100 #C94 +0 37 39 0.0230 E94 +1 37 39 0.0230 E94 +0 37 40 -0.1000 #C94 +0 37 41 0.1790 E94 +0 37 43 -0.1990 E94 +0 37 45 -0.1330 E94 +0 37 46 -0.3020 E94 +0 37 55 -0.3490 E94 +0 37 56 -0.3110 E94 +1 37 57 0.0220 E94 +0 37 58 -0.3610 E94 +1 37 58 -0.3610 E94 +4 37 58 -0.3500 #C94 +0 37 61 -0.1380 E94 +0 37 62 0.0020 E94 +0 37 63 0.0000 #C94 +1 37 63 -0.0530 E94 +0 37 64 0.0000 #C94 +1 37 64 -0.0540 E94 +1 37 67 0.0280 E94 +0 37 69 -0.0895 C94 +0 37 78 -0.0410 E94 +0 37 81 -0.3870 E94 +1 37 81 -0.3870 E94 +0 38 38 0.0000 #C94 +0 38 63 0.2570 E94 +0 38 64 0.2560 E94 +0 38 69 0.3380 E94 +0 38 78 0.2690 E94 +1 39 39 0.0000 #C94 +0 39 40 -0.1600 E94 +0 39 45 -0.1560 E94 +0 39 63 -0.1516 C94 +1 39 63 -0.0760 E94 +0 39 64 -0.0770 E94 +1 39 64 -0.0770 E94 +0 39 65 -0.4180 C94 +0 39 78 -0.0640 E94 +0 40 40 0.0000 #C94 +0 40 45 0.0040 E94 +0 40 46 -0.1650 E94 +0 40 54 -0.1600 E94 +0 40 63 0.0840 E94 +0 40 64 0.0830 E94 +0 40 78 0.0960 E94 +0 41 41 0.0000 #C94 +0 41 55 -0.5280 E94 +0 41 62 -0.1770 E94 +0 41 72 -0.5000 #X94 +0 41 80 -0.1960 E94 +0 42 61 0.4920 E94 +0 43 43 0.0000 #X94 +0 43 45 0.0660 E94 +0 43 64 0.1450 E94 +0 44 63 0.0400 #C94 +0 44 65 -0.2207 C94 +0 44 78 0.0690 E94 +0 44 80 0.0930 E94 +0 45 63 0.0800 E94 +0 45 64 0.0790 E94 +0 45 78 0.0920 E94 +0 47 53 0.3700 #X94 +0 49 50 0.5673 C94 +0 51 52 0.5000 #X94 +0 55 57 0.3544 C94 +0 55 62 0.3510 E94 +0 55 64 0.2950 E94 +0 55 80 0.3320 E94 +0 56 57 0.4000 #C94 +0 56 63 0.2580 E94 +0 56 80 0.2700 E94 +4 57 58 -0.4000 #C94 +1 57 63 -0.0750 E94 +1 57 64 -0.0760 E94 +0 58 63 0.3080 E94 +0 58 64 0.3070 E94 +0 59 63 0.1400 #C94 +0 59 65 -0.1209 C94 +0 59 78 0.1690 E94 +0 59 80 0.1930 E94 +0 59 82 0.2380 E94 +0 60 61 0.3700 #X94 +0 62 63 -0.0550 E94 +0 62 64 -0.0560 E94 +0 63 63 0.0000 #C94 +1 63 63 0.0000 #C94 +0 63 64 0.0000 #C94 +0 63 66 -0.3381 C94 +0 63 72 -0.4000 E94 +0 63 78 0.0120 E94 +0 63 81 -0.3340 E94 +0 64 64 0.0000 #C94 +0 64 65 -0.2888 C94 +0 64 66 -0.2272 C94 +0 64 78 0.0130 E94 +0 64 81 -0.3330 E94 +0 64 82 0.0820 E94 +0 65 66 0.0000 #C94 +0 65 78 0.3070 E94 +0 65 81 -0.0390 E94 +0 65 82 0.3760 E94 +0 66 66 0.0000 #C94 +0 66 78 0.2990 E94 +0 66 81 -0.0470 E94 +0 71 75 -0.0958 X94 +0 72 73 0.4500 #X94 +0 76 76 0.0000 #X94 +0 76 78 0.4000 #X94 +0 78 78 0.0000 #C94 +1 78 78 0.0000 #C94 +0 78 79 -0.3030 E94 +0 78 81 -0.3500 #C94 +0 79 81 -0.0430 E94 +0 80 81 -0.4000 #C94 +$ +8. MMFFANG.PAR: This file supplies parameters for angle-bending interactions. +* +* Copyright (c) Merck and Co., Inc., 1994, 1995, 1996 +* All Rights Reserved +* +* MMFF ANGLE PARAMETERS- Rev: 26-Oct-94 Source: MMFF94 +* C94 = CORE MMFF94 parameter - obtained from ab initio data +* X94 = EXTD MMFF94 parameter - fit to additional ab initio data +* E94 = theta0 from fit to X-ray data, ka from empirical rule +* #E94 = theta0 and ka both from empirical rules +* +* atom types ka theta0 Comment/origin +0 0 1 0 0.000 108.900 0:*-1-* MMFF94 DEF +0 1 1 1 0.851 109.608 C94 +0 1 1 2 0.736 109.445 C94 +0 1 1 3 0.777 107.517 C94 +0 1 1 4 1.006 110.265 E94 +0 1 1 5 0.636 110.549 C94 +0 1 1 6 0.992 108.133 C94 +0 1 1 8 0.777 108.290 C94 +0 1 1 9 1.136 108.194 E94 +0 1 1 10 1.050 109.960 C94 +0 1 1 11 1.225 108.313 C94 +0 1 1 12 1.056 108.679 C94 +0 1 1 13 1.078 106.820 E94 +0 1 1 14 0.980 109.945 E94 +0 1 1 15 0.743 107.397 C94 +0 1 1 17 1.089 108.578 E94 +0 1 1 18 1.093 109.315 E94 +0 1 1 19 0.755 115.436 E94 +0 1 1 20 1.021 108.659 E94 +0 1 1 22 1.001 110.125 E94 +0 1 1 25 0.803 112.356 X94 +0 1 1 26 0.833 109.879 E94 +0 1 1 34 1.179 106.493 C94 +0 1 1 37 0.756 108.617 C94 +0 1 1 39 0.927 109.170 C94 +0 1 1 40 1.130 108.678 E94 +0 1 1 41 0.330 98.422 C94 +0 1 1 43 1.135 108.019 E94 +0 1 1 45 1.197 105.028 E94 +0 1 1 54 1.173 106.424 E94 +0 1 1 55 1.150 107.604 E94 +0 1 1 56 1.199 110.371 C94 +0 1 1 57 1.012 109.900 E94 +0 1 1 58 1.179 106.327 E94 +0 1 1 61 1.125 109.311 E94 +0 1 1 63 1.006 110.058 E94 +0 1 1 64 0.988 111.064 E94 +0 1 1 67 1.216 104.557 E94 +0 1 1 68 1.018 107.195 C94 +0 1 1 73 1.160 104.658 E94 +0 1 1 78 1.012 109.850 E94 +0 1 1 80 0.947 113.327 E94 +0 1 1 81 1.108 109.837 E94 +0 2 1 2 1.113 111.453 C94 +0 2 1 3 0.667 104.829 C94 +0 2 1 4 1.022 109.873 E94 +0 2 1 5 0.632 110.292 C94 +0 2 1 6 1.074 108.699 C94 +0 2 1 8 0.884 111.553 C94 +0 2 1 9 1.118 109.577 E94 +0 2 1 10 1.160 107.963 E94 +0 2 1 11 1.192 110.419 E94 +0 2 1 12 1.070 109.410 E94 +0 2 1 15 1.078 109.560 E94 +0 2 1 17 1.077 109.434 E94 +0 2 1 18 1.188 105.110 E94 +0 2 1 20 1.053 107.448 E94 +0 2 1 22 0.942 114.020 E94 +0 2 1 25 0.893 106.815 E94 +0 2 1 26 1.029 99.065 E94 +0 2 1 34 1.066 111.817 E94 +0 2 1 37 0.985 111.446 E94 +0 2 1 39 1.124 109.513 E94 +0 2 1 40 1.149 108.270 E94 +0 2 1 45 1.232 103.978 E94 +0 2 1 63 0.935 114.692 E94 +0 2 1 67 1.224 104.687 E94 +0 3 1 3 0.974 111.746 E94 +0 3 1 4 1.019 109.850 E94 +0 3 1 5 0.650 108.385 C94 +0 3 1 6 0.528 104.112 C94 +0 3 1 8 1.197 105.837 E94 +0 3 1 9 1.201 105.535 E94 +0 3 1 10 0.634 102.655 C94 +0 3 1 11 1.189 110.328 E94 +0 3 1 12 1.136 106.064 E94 +0 3 1 13 1.147 103.645 E94 +0 3 1 14 1.048 106.404 E94 +0 3 1 15 1.125 107.192 E94 +0 3 1 17 1.092 108.602 E94 +0 3 1 18 1.120 108.119 E94 +0 3 1 20 0.969 111.830 E94 +0 3 1 22 0.999 110.522 E94 +0 3 1 26 0.742 116.555 E94 +0 3 1 34 1.141 107.871 E94 +0 3 1 37 1.011 109.833 E94 +0 3 1 39 1.136 108.751 E94 +0 3 1 40 1.174 106.941 E94 +0 3 1 41 1.033 108.216 E94 +0 3 1 45 1.221 104.281 E94 +0 3 1 63 1.069 107.077 E94 +0 3 1 64 1.028 109.186 E94 +0 3 1 81 1.167 107.327 E94 +0 4 1 4 0.954 114.186 E94 +0 4 1 5 0.615 111.417 X94 +0 4 1 6 1.273 109.977 E94 +0 4 1 8 1.099 111.063 E94 +0 4 1 9 1.187 106.750 E94 +0 4 1 10 1.117 110.488 E94 +0 4 1 13 1.021 110.047 E94 +0 4 1 15 1.028 112.432 E94 +0 4 1 18 1.187 105.351 E94 +0 4 1 22 1.174 102.556 E94 +0 4 1 26 0.853 108.999 E94 +0 4 1 34 1.148 108.160 E94 +0 4 1 37 0.993 111.424 E94 +0 5 1 5 0.516 108.836 C94 +0 5 1 6 0.781 108.577 C94 +0 5 1 8 0.653 110.297 C94 +0 5 1 9 0.733 109.894 C94 +0 5 1 10 0.740 107.646 C94 +0 5 1 11 0.875 107.897 C94 +0 5 1 12 0.698 108.162 C94 +0 5 1 13 0.613 106.049 E94 +0 5 1 14 0.508 113.019 E94 +0 5 1 15 0.576 109.609 C94 +0 5 1 17 0.634 107.944 X94 +0 5 1 18 0.663 106.855 X94 +0 5 1 19 0.450 113.195 X94 +0 5 1 20 0.706 111.000 C94 +0 5 1 22 0.618 110.380 E94 +0 5 1 25 0.487 109.486 X94 +0 5 1 26 0.466 111.172 X94 +0 5 1 34 0.872 106.224 C94 +0 5 1 35 0.644 125.663 X94 +0 5 1 37 0.627 109.491 C94 +0 5 1 39 0.811 106.299 C94 +0 5 1 40 0.719 109.870 C94 +0 5 1 41 0.525 108.904 C94 +0 5 1 43 0.692 109.083 X94 +0 5 1 45 0.741 105.197 X94 +0 5 1 46 0.719 106.735 X94 +0 5 1 54 0.874 106.973 C94 +0 5 1 55 0.861 108.507 C94 +0 5 1 56 0.814 108.223 C94 +0 5 1 57 0.626 110.420 E94 +0 5 1 58 0.750 105.481 E94 +0 5 1 61 0.710 109.227 X94 +0 5 1 62 0.655 113.035 X94 +0 5 1 63 0.621 110.467 E94 +0 5 1 64 0.622 110.457 E94 +0 5 1 67 0.732 106.474 E94 +0 5 1 68 0.748 103.817 C94 +0 5 1 72 0.547 116.576 X94 +0 5 1 73 0.633 107.153 X94 +0 5 1 78 0.640 109.078 E94 +0 5 1 80 0.684 105.144 E94 +0 5 1 81 0.721 107.870 E94 +0 6 1 6 1.156 111.368 C94 +0 6 1 8 1.333 112.223 E94 +0 6 1 9 1.224 116.950 E94 +0 6 1 10 1.432 108.568 E94 +0 6 1 11 1.593 106.900 E94 +0 6 1 15 1.273 112.012 E94 +0 6 1 17 1.348 108.655 E94 +0 6 1 19 0.906 117.214 E94 +0 6 1 20 1.293 108.202 E94 +0 6 1 22 1.287 108.913 E94 +0 6 1 25 1.171 103.598 E94 +0 6 1 26 0.888 118.433 E94 +0 6 1 34 1.257 114.975 E94 +0 6 1 37 0.878 107.978 C94 +0 6 1 39 1.485 106.464 E94 +0 6 1 40 1.371 110.779 E94 +0 6 1 41 1.333 106.467 E94 +0 6 1 45 1.523 104.438 E94 +0 6 1 57 1.308 108.467 E94 +0 6 1 63 1.351 106.535 E94 +0 6 1 64 1.238 111.308 E94 +0 8 1 8 1.203 110.856 E94 +0 8 1 9 1.133 114.080 E94 +0 8 1 10 1.258 108.683 E94 +0 8 1 12 1.217 107.251 E94 +0 8 1 15 1.120 112.356 E94 +0 8 1 20 1.116 109.353 E94 +0 8 1 25 1.143 98.698 E94 +0 8 1 34 1.138 113.412 E94 +0 8 1 37 1.090 110.992 E94 +0 8 1 39 1.364 104.193 E94 +0 8 1 40 0.964 123.962 E94 +0 8 1 41 1.234 103.868 E94 +0 8 1 43 1.137 113.596 E94 +0 8 1 45 1.583 96.139 E94 +0 8 1 57 1.038 114.266 E94 +0 8 1 63 1.104 110.598 E94 +0 8 1 64 1.156 108.127 E94 +0 9 1 10 1.209 110.720 E94 +0 9 1 12 1.173 109.152 E94 +0 9 1 15 1.024 117.465 E94 +0 9 1 25 1.060 102.432 E94 +0 9 1 37 1.077 111.565 E94 +0 9 1 40 1.084 116.728 E94 +0 9 1 80 1.163 107.509 E94 +0 10 1 10 1.191 111.995 E94 +0 10 1 15 1.161 110.502 E94 +0 10 1 17 1.269 105.509 E94 +0 10 1 20 1.220 104.838 E94 +0 10 1 22 1.132 109.262 E94 +0 10 1 25 1.015 104.822 E94 +0 10 1 37 1.107 110.423 E94 +0 10 1 40 1.264 108.536 E94 +0 10 1 41 1.087 110.961 E94 +0 10 1 57 1.268 103.622 E94 +0 11 1 11 1.638 106.081 C94 +0 11 1 15 1.254 109.517 E94 +0 11 1 20 1.243 107.637 E94 +0 11 1 25 1.244 97.532 E94 +0 11 1 34 1.338 108.669 E94 +0 11 1 35 1.556 110.367 E94 +0 11 1 37 1.151 112.278 E94 +0 11 1 41 1.301 105.053 E94 +0 11 1 45 1.550 100.991 E94 +0 11 1 73 1.303 106.569 E94 +0 11 1 75 0.884 114.378 E94 +0 12 1 12 1.096 110.422 C94 +0 12 1 15 1.146 111.064 E94 +0 12 1 18 1.299 104.827 E94 +0 12 1 19 0.932 108.971 E94 +0 12 1 20 1.081 108.605 E94 +0 12 1 22 1.097 108.028 E94 +0 12 1 25 0.989 106.118 E94 +0 12 1 37 1.076 109.030 E94 +0 12 1 39 1.150 110.359 E94 +0 12 1 45 1.353 101.430 E94 +0 12 1 63 1.071 109.474 E94 +0 12 1 64 1.093 108.338 E94 +0 13 1 13 1.093 111.645 E94 +0 13 1 20 1.084 106.534 E94 +0 13 1 22 1.068 107.469 E94 +0 13 1 45 1.305 101.383 E94 +0 14 1 20 1.021 107.718 E94 +0 15 1 15 1.147 111.896 E94 +0 15 1 25 1.059 103.308 E94 +0 15 1 34 1.222 107.318 E94 +0 15 1 37 1.051 110.959 E94 +0 15 1 40 1.149 111.005 E94 +0 15 1 41 1.263 100.981 E94 +0 15 1 63 1.060 110.596 E94 +0 15 1 64 1.059 110.703 E94 +0 15 1 73 1.289 105.029 E94 +0 17 1 37 1.065 110.049 E94 +0 18 1 20 1.121 107.960 E94 +0 18 1 22 1.283 101.125 E94 +0 18 1 37 1.203 104.390 E94 +0 18 1 45 1.287 105.273 E94 +0 18 1 64 1.093 109.683 E94 +0 19 1 54 0.772 119.506 E94 +0 20 1 20 1.229 99.084 E94 +0 20 1 37 1.052 107.428 E94 +0 20 1 45 1.169 106.335 E94 +0 22 1 22 0.990 111.226 E94 +0 22 1 25 0.885 107.293 E94 +0 22 1 34 1.045 112.940 E94 +0 22 1 37 1.037 108.586 E94 +0 22 1 45 1.182 106.181 E94 +0 25 1 25 0.551 127.138 E94 +0 25 1 34 0.779 119.271 E94 +0 25 1 37 0.784 113.945 E94 +0 25 1 40 1.062 102.417 E94 +0 25 1 58 0.916 110.234 E94 +0 26 1 26 0.625 118.700 E94 +0 34 1 34 1.216 109.167 E94 +0 34 1 37 1.075 111.275 E94 +0 34 1 41 1.048 112.238 E94 +0 34 1 63 1.077 111.412 E94 +0 34 1 73 1.142 110.240 E94 +0 37 1 37 0.986 111.315 E94 +0 37 1 40 1.129 109.188 E94 +0 37 1 43 1.074 111.478 E94 +0 37 1 45 1.259 102.800 E94 +0 37 1 57 0.981 112.047 E94 +0 37 1 64 1.175 102.239 E94 +0 37 1 68 1.100 109.983 E94 +0 37 1 78 1.005 110.638 E94 +0 37 1 81 1.176 107.040 E94 +0 39 1 39 1.260 108.547 E94 +0 40 1 40 1.182 112.005 E94 +0 40 1 55 1.322 105.786 E94 +0 40 1 63 1.032 114.505 E94 +0 40 1 64 1.000 116.376 E94 +0 41 1 41 1.082 105.400 E94 +0 41 1 63 1.061 107.112 E94 +0 41 1 81 1.093 110.553 E94 +0 45 1 45 1.391 102.088 E94 +0 0 2 0 0.000 119.400 0:*-2-* MMFF94 DEF +1 0 2 0 0.000 118.200 0:*-2-* MMFF94 DEF +2 0 2 0 0.000 120.800 2::*-2-* MMFF94 DEF +3 0 2 0 0.000 62.600 3::*-2-* MMFF94 DEF +6 0 2 0 0.000 60.500 6:*-2-* MMFF94 DEF +0 1 2 1 0.752 118.043 C94 +0 1 2 2 0.672 122.141 C94 +1 1 2 2 0.684 116.929 C94 +1 1 2 3 0.698 116.104 C94 +0 1 2 4 0.828 125.045 E94 +1 1 2 4 0.846 121.613 E94 +0 1 2 5 0.446 120.108 C94 +0 1 2 6 1.160 115.518 E94 +0 1 2 10 1.015 116.707 E94 +0 1 2 12 0.983 115.343 E94 +0 1 2 13 0.964 115.395 E94 +0 1 2 15 0.939 119.465 E94 +0 1 2 17 0.883 121.868 E94 +0 1 2 18 0.961 117.918 E94 +0 1 2 20 0.880 118.310 E94 +0 1 2 22 0.873 119.114 E94 +0 1 2 30 0.826 124.605 E94 +1 1 2 37 0.721 116.064 C94 +0 1 2 40 0.982 118.515 E94 +0 1 2 45 1.121 109.921 E94 +0 1 2 56 1.006 117.192 E94 +1 1 2 63 0.768 127.945 E94 +1 1 2 64 0.966 113.884 E94 +1 1 2 67 1.115 110.185 E94 +1 2 2 2 0.747 121.550 C94 +2 2 2 2 0.796 126.284 E94 +6 2 2 2 0.173 60.549 E94 +1 2 2 3 0.545 111.297 C94 +2 2 2 3 0.893 118.456 E94 +5 2 2 3 0.184 59.145 E94 +1 2 2 4 0.902 121.053 E94 +2 2 2 4 0.889 119.794 E94 +0 2 2 5 0.535 121.004 C94 +1 2 2 5 0.463 118.442 C94 +0 2 2 6 1.117 121.267 C94 +1 2 2 6 1.204 114.538 E94 +1 2 2 9 0.960 123.536 E94 +2 2 2 9 1.045 116.273 E94 +0 2 2 10 1.003 120.828 E94 +1 2 2 10 1.026 117.324 E94 +0 2 2 11 1.089 119.100 X94 +1 2 2 11 1.090 116.828 E94 +0 2 2 12 0.931 120.132 X94 +1 2 2 12 0.957 117.526 E94 +0 2 2 13 0.867 122.717 E94 +0 2 2 14 0.818 122.584 E94 +1 2 2 14 0.819 122.344 E94 +0 2 2 15 0.931 121.553 E94 +1 2 2 15 0.949 119.466 E94 +0 2 2 17 0.977 117.167 E94 +0 2 2 18 1.044 114.561 E94 +0 2 2 19 0.668 124.721 E94 +0 2 2 20 0.931 117.784 E94 +0 2 2 22 0.809 126.820 E94 +3 2 2 22 0.149 66.165 E94 +0 2 2 25 0.700 123.830 E94 +0 2 2 34 1.066 116.151 E94 +0 2 2 35 0.911 137.103 X94 +1 2 2 37 0.598 117.508 C94 +2 2 2 37 0.817 124.229 E94 +1 2 2 39 0.976 122.360 E94 +0 2 2 40 0.773 126.830 C94 +1 2 2 40 0.976 120.132 E94 +0 2 2 41 0.432 110.442 C94 +0 2 2 43 1.144 111.808 E94 +0 2 2 45 1.194 109.231 X94 +1 2 2 45 1.062 113.984 E94 +0 2 2 46 1.005 121.534 E94 +0 2 2 55 0.995 121.154 E94 +0 2 2 56 1.234 108.879 E94 +0 2 2 62 0.808 135.269 X94 +1 2 2 63 0.948 118.277 E94 +1 2 2 64 0.866 123.528 E94 +2 2 2 64 0.859 121.998 E94 +1 2 2 67 1.132 112.136 E94 +0 2 2 72 0.770 134.269 X94 +1 2 2 81 1.078 116.541 E94 +2 3 2 3 0.853 120.370 E94 +2 3 2 4 0.878 119.739 E94 +1 3 2 5 0.487 117.291 C94 +1 3 2 6 1.142 116.738 E94 +2 3 2 9 1.005 117.648 E94 +1 3 2 10 1.039 115.698 E94 +1 3 2 11 1.150 112.876 E94 +1 3 2 12 0.997 114.732 E94 +1 3 2 13 0.946 116.643 E94 +1 3 2 14 0.891 117.111 E94 +1 3 2 15 1.023 114.635 E94 +1 3 2 20 0.870 119.265 E94 +1 3 2 22 0.816 123.510 E94 +1 3 2 30 1.025 112.209 E94 +1 3 2 34 1.099 111.723 E94 +1 3 2 35 1.141 118.767 E94 +2 3 2 37 0.868 119.758 E94 +1 3 2 40 1.024 116.408 E94 +1 3 2 41 0.855 119.505 E94 +1 3 2 43 1.046 114.257 E94 +1 3 2 45 1.077 112.401 E94 +1 3 2 46 1.066 114.841 E94 +2 4 2 4 0.832 124.158 E94 +0 4 2 5 0.573 121.000 #E94 +1 4 2 5 0.545 120.000 #E94 +2 4 2 9 0.973 120.845 E94 +1 4 2 15 0.906 122.447 E94 +1 4 2 18 0.947 119.537 E94 +1 4 2 30 0.819 126.938 E94 +2 4 2 37 0.864 121.093 E94 +1 4 2 40 1.083 114.355 E94 +1 4 2 45 1.158 109.426 E94 +2 4 2 63 0.860 122.442 E94 +0 5 2 5 0.365 119.523 C94 +0 5 2 6 0.589 108.757 C94 +1 5 2 9 0.643 117.000 #E94 +0 5 2 10 0.667 114.859 E94 +0 5 2 11 0.795 108.186 X94 +0 5 2 12 0.622 110.650 X94 +0 5 2 13 0.566 113.513 E94 +0 5 2 15 0.546 119.562 E94 +0 5 2 17 0.492 124.000 #E94 +0 5 2 18 0.548 119.053 E94 +0 5 2 22 0.534 120.000 #E94 +0 5 2 25 0.395 124.000 #E94 +0 5 2 30 0.572 120.000 #E94 +0 5 2 35 0.682 124.164 X94 +1 5 2 37 0.491 117.423 C94 +1 5 2 39 0.655 115.724 E94 +0 5 2 40 0.568 112.322 C94 +0 5 2 41 0.294 123.706 C94 +0 5 2 45 0.728 107.774 X94 +0 5 2 55 0.651 116.000 #E94 +0 5 2 62 0.568 125.344 X94 +1 5 2 63 0.550 120.000 #E94 +1 5 2 64 0.546 120.000 #E94 +0 5 2 72 0.531 122.009 X94 +1 5 2 81 0.665 115.000 #E94 +1 6 2 9 1.214 120.520 E94 +0 6 2 10 1.311 115.921 E94 +0 6 2 22 1.080 120.560 E94 +0 6 2 35 1.172 132.391 E94 +1 6 2 37 1.198 114.441 E94 +0 6 2 40 1.239 119.073 E94 +0 6 2 45 1.637 102.438 E94 +1 9 2 10 1.098 119.802 E94 +1 9 2 15 0.915 127.574 E94 +2 9 2 37 0.981 119.536 E94 +1 9 2 40 0.922 130.521 E94 +0 10 2 12 1.144 112.723 E94 +0 10 2 15 1.078 117.519 E94 +0 10 2 25 1.144 100.818 E94 +1 10 2 37 1.021 117.139 E94 +0 10 2 40 0.988 126.034 E94 +0 10 2 41 0.951 120.000 E94 +0 12 2 12 1.012 119.105 E94 +0 12 2 17 1.110 114.206 E94 +0 12 2 18 1.201 110.553 E94 +0 12 2 19 0.704 126.646 E94 +0 12 2 20 0.903 120.563 E94 +0 12 2 30 0.892 122.753 E94 +1 12 2 37 0.976 116.136 E94 +0 12 2 45 1.076 115.543 E94 +0 13 2 18 1.132 113.616 E94 +0 15 2 15 0.996 123.027 E94 +0 15 2 35 0.950 133.654 E94 +1 15 2 37 1.007 115.757 E94 +0 15 2 40 0.895 128.924 E94 +0 17 2 17 1.051 117.955 E94 +1 18 2 37 1.183 106.608 E94 +0 22 2 22 0.841 122.108 E94 +3 22 2 22 0.180 58.963 E94 +1 22 2 37 0.806 124.693 E94 +1 30 2 37 0.849 123.816 E94 +1 35 2 37 0.991 128.032 E94 +0 40 2 40 0.949 128.436 E94 +0 40 2 56 1.072 120.987 E94 +1 40 2 63 0.922 124.268 E94 +1 40 2 64 0.955 121.881 E94 +0 40 2 72 0.820 135.317 E94 +0 45 2 45 1.284 108.095 E94 +2 64 2 64 0.888 120.342 E94 +0 0 3 0 0.000 117.300 0:*-3-* MMFF94 DEF +1 0 3 0 0.000 115.800 1:*-3-* MMFF94 DEF +4 0 3 0 0.000 90.800 4:*-3-* MMFF94 DEF +7 0 3 0 0.000 91.100 7:*-3-* MMFF94 DEF +8 0 3 0 0.000 88.900 7:*-3-* MMFF94 DEF +0 1 3 1 1.151 118.016 C94 +1 1 3 2 1.106 116.853 C94 +1 1 3 3 1.214 114.612 C94 +0 1 3 5 0.808 117.280 C94 +0 1 3 6 1.043 109.716 C94 +0 1 3 7 0.938 124.410 C94 +0 1 3 9 0.978 119.788 E94 +1 1 3 9 1.038 115.132 E94 +0 1 3 10 0.984 112.735 C94 +0 1 3 12 1.007 113.972 E94 +0 1 3 15 1.024 113.612 E94 +0 1 3 16 0.949 119.986 E94 +0 1 3 18 0.732 134.097 E94 +0 1 3 20 0.830 120.312 E94 +0 1 3 22 0.928 115.001 E94 +0 1 3 35 1.058 122.808 E94 +1 1 3 37 1.051 115.191 C94 +1 1 3 39 1.178 107.895 E94 +0 1 3 40 0.979 118.457 E94 +0 1 3 41 0.897 116.681 E94 +0 1 3 43 1.046 113.731 X94 +0 1 3 45 1.132 109.019 E94 +0 1 3 51 1.160 116.573 X94 +0 1 3 53 1.052 115.065 X94 +0 1 3 54 1.135 111.322 E94 +1 1 3 58 1.162 108.129 E94 +0 1 3 62 1.119 111.523 E94 +1 1 3 63 0.909 117.001 E94 +1 1 3 64 0.887 118.253 E94 +0 1 3 67 1.142 110.666 E94 +0 1 3 74 1.010 116.851 X94 +0 1 3 75 0.646 128.037 X94 +2 2 3 2 0.976 112.562 E94 +6 2 3 2 0.157 62.792 E94 +2 2 3 3 0.957 113.239 E94 +1 2 3 5 0.901 115.350 C94 +1 2 3 6 0.932 106.510 C94 +1 2 3 7 0.936 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0.617 121.127 C94 +0 5 63 44 0.393 126.141 C94 +0 5 63 59 0.784 114.076 C94 +0 5 63 64 0.577 131.721 C94 +0 5 63 66 0.643 125.134 C94 +0 5 63 78 0.482 130.000 #E94 +0 5 63 81 0.588 124.000 #E94 +0 6 63 39 1.234 120.509 E94 +0 6 63 59 1.564 113.514 E94 +0 6 63 64 0.951 131.301 E94 +1 9 63 39 1.068 121.741 E94 +1 9 63 44 0.963 124.598 E94 +1 9 63 64 0.804 134.237 E94 +1 9 63 66 0.912 133.020 E94 +0 10 63 39 1.084 120.356 E94 +0 10 63 44 1.112 115.732 E94 +0 10 63 59 1.307 116.218 E94 +0 10 63 64 0.867 128.750 E94 +0 10 63 66 0.981 127.617 E94 +0 12 63 39 1.111 114.439 E94 +0 12 63 44 1.035 119.321 E94 +0 12 63 64 0.838 126.226 E94 +0 12 63 66 0.980 122.280 E94 +0 15 63 39 1.064 117.958 E94 +0 15 63 44 0.952 125.654 E94 +0 15 63 64 0.813 129.284 E94 +0 15 63 66 0.962 124.490 E94 +0 18 63 44 1.110 116.077 E94 +0 18 63 64 0.740 135.028 E94 +0 19 63 39 0.647 132.369 E94 +0 19 63 64 0.517 141.986 E94 +0 25 63 39 0.597 139.439 E94 +0 25 63 66 0.776 122.699 E94 +0 35 63 59 1.351 124.475 E94 +0 35 63 64 0.808 145.098 E94 +0 37 63 39 1.011 132.046 C94 +1 37 63 39 0.934 123.481 E94 +0 37 63 44 0.764 133.930 E94 +1 37 63 44 0.915 121.637 E94 +0 37 63 59 1.041 124.836 E94 +1 37 63 59 1.214 114.211 E94 +0 37 63 64 0.679 122.881 C94 +1 37 63 64 0.742 131.784 E94 +0 37 63 66 0.742 140.668 E94 +1 37 63 66 0.871 128.130 E94 +0 38 63 39 1.022 124.814 E94 +0 38 63 64 0.910 126.513 E94 +0 39 63 39 0.910 131.461 E94 +1 39 63 39 1.105 119.174 E94 +0 39 63 40 1.112 119.261 E94 +1 39 63 44 1.144 114.126 E94 +0 39 63 45 1.166 115.115 E94 +1 39 63 57 0.931 123.222 E94 +0 39 63 58 1.042 123.231 E94 +1 39 63 63 0.949 122.353 E94 +0 39 63 64 0.813 107.255 C94 +1 39 63 64 0.943 123.441 E94 +0 39 63 66 1.012 110.865 C94 +1 39 63 66 1.095 120.834 E94 +0 40 63 44 0.943 125.881 E94 +0 40 63 59 1.298 117.078 E94 +0 40 63 64 0.845 130.865 E94 +0 40 63 66 0.940 130.926 E94 +0 44 63 45 1.125 114.633 E94 +0 44 63 56 1.030 120.178 E94 +0 44 63 62 0.991 122.899 E94 +1 44 63 63 0.894 123.341 E94 +0 44 63 64 0.853 108.480 C94 +0 44 63 66 0.854 114.516 C94 +0 44 63 72 0.915 129.129 E94 +0 44 63 78 1.217 106.254 E94 +0 44 63 81 1.278 108.400 E94 +0 45 63 59 1.467 108.824 E94 +0 45 63 64 0.940 122.725 E94 +0 45 63 66 1.164 116.157 E94 +0 56 63 66 0.875 134.888 E94 +1 57 63 66 0.945 123.246 E94 +0 58 63 64 0.965 122.522 E94 +0 59 63 64 1.035 110.108 C94 +0 59 63 66 1.181 115.592 C94 +0 62 63 66 0.976 128.662 E94 +1 63 63 64 0.776 129.499 E94 +1 63 63 66 0.929 124.689 E94 +0 66 63 72 0.911 129.610 E94 +0 0 64 0 0.000 121.400 0:*-64-* MMFF94 DEF +1 0 64 0 0.000 121.700 1:*-64-* MMFF94 DEF +0 1 64 63 0.776 128.041 E94 +0 1 64 64 0.766 128.061 E94 +0 1 64 65 0.963 120.640 E94 +0 1 64 66 0.952 120.685 E94 +0 1 64 81 1.050 114.735 E94 +0 1 64 82 1.013 117.414 E94 +1 2 64 63 0.861 122.947 E94 +1 2 64 64 0.816 125.433 E94 +1 2 64 65 0.907 125.781 E94 +1 2 64 66 1.010 118.540 E94 +1 2 64 82 0.923 124.473 E94 +1 3 64 63 0.828 124.890 E94 +1 3 64 64 0.774 128.286 E94 +1 3 64 65 0.973 120.954 E94 +1 3 64 66 0.949 121.821 E94 +1 3 64 81 0.995 118.754 E94 +1 4 64 63 0.845 123.889 E94 +1 4 64 64 0.804 126.131 E94 +1 4 64 65 1.036 117.401 E94 +1 4 64 66 1.010 118.254 E94 +0 5 64 63 0.501 126.170 C94 +0 5 64 64 0.546 127.405 C94 +0 5 64 65 0.664 118.412 C94 +0 5 64 66 0.699 120.478 C94 +0 5 64 78 0.482 127.331 E94 +0 5 64 81 0.605 120.000 #E94 +0 5 64 82 0.597 122.000 #E94 +0 6 64 63 1.112 120.985 E94 +0 6 64 64 1.043 123.922 E94 +0 6 64 65 1.348 115.506 E94 +0 6 64 66 1.156 123.890 E94 +1 9 64 64 0.959 120.924 E94 +1 9 64 65 1.098 119.529 E94 +1 9 64 66 1.013 123.743 E94 +0 10 64 63 0.937 123.695 E94 +0 10 64 64 0.893 125.735 E94 +0 10 64 65 1.016 124.788 E94 +0 10 64 66 1.065 121.125 E94 +0 12 64 63 0.845 126.259 E94 +0 12 64 64 0.869 124.058 E94 +0 12 64 65 1.020 120.198 E94 +0 12 64 66 0.971 122.900 E94 +0 13 64 63 0.845 123.004 E94 +0 13 64 64 0.883 120.111 E94 +0 15 64 63 0.870 124.581 E94 +0 15 64 64 0.882 123.309 E94 +0 15 64 65 1.008 121.049 E94 +0 15 64 66 0.990 121.826 E94 +0 18 64 65 1.065 118.404 E94 +0 18 64 66 1.067 118.002 E94 +0 37 64 63 0.906 117.966 C94 +0 37 64 64 0.854 136.087 C94 +1 37 64 64 0.772 128.673 E94 +0 37 64 65 0.799 134.844 E94 +1 37 64 65 0.942 122.866 E94 +0 37 64 66 0.845 130.337 E94 +0 37 64 78 0.706 135.432 E94 +0 37 64 81 0.917 124.856 E94 +0 37 64 82 0.946 123.684 E94 +1 37 64 82 1.000 119.086 E94 +0 38 64 63 0.988 121.242 E94 +0 38 64 64 0.858 129.014 E94 +0 38 64 65 0.989 127.335 E94 +0 38 64 66 1.022 124.454 E94 +0 39 64 64 1.086 114.312 E94 +0 39 64 65 1.060 122.481 E94 +1 39 64 65 1.204 114.188 E94 +1 39 64 66 1.170 115.157 E94 +0 40 64 63 0.948 123.538 E94 +0 40 64 64 0.928 123.853 E94 +0 40 64 65 0.958 129.125 E94 +0 40 64 81 1.035 123.154 E94 +0 40 64 82 1.183 115.934 E94 +0 43 64 63 0.885 126.749 E94 +0 43 64 64 0.898 124.876 E94 +0 43 64 65 1.024 123.706 E94 +0 43 64 66 1.017 123.409 E94 +0 45 64 63 0.981 120.063 E94 +0 45 64 64 0.921 123.014 E94 +0 45 64 65 1.276 110.521 E94 +0 45 64 66 1.199 113.371 E94 +0 55 64 64 0.907 124.405 E94 +0 55 64 65 1.002 125.220 E94 +1 57 64 65 1.020 117.950 E94 +1 57 64 66 0.959 121.017 E94 +0 58 64 63 1.075 115.646 E94 +0 58 64 64 0.815 131.812 E94 +0 58 64 66 0.978 126.562 E94 +0 62 64 64 0.885 126.560 E94 +0 62 64 65 1.073 121.703 E94 +0 63 64 64 0.866 108.239 C94 +1 63 64 64 0.827 124.584 E94 +0 63 64 66 1.038 111.621 C94 +0 63 64 78 1.172 105.176 E94 +0 63 64 81 1.164 110.895 E94 +0 63 64 82 1.395 101.902 E94 +0 64 64 64 0.967 115.037 E94 +0 64 64 65 0.916 113.570 C94 +1 64 64 66 1.003 118.067 E94 +0 64 64 78 1.194 103.479 E94 +0 64 64 82 1.210 108.553 E94 +0 65 64 66 1.055 115.369 C94 +0 65 64 81 1.168 116.240 E94 +0 66 64 66 0.932 129.624 E94 +0 0 65 0 0.000 104.500 0:*-65-* MMFF94 DEF +0 39 65 64 1.738 101.550 C94 +0 39 65 66 1.589 106.360 C94 +0 39 65 82 1.740 101.208 E94 +0 44 65 64 1.430 103.829 C94 +0 44 65 66 1.366 110.552 E94 +0 44 65 78 1.419 104.213 E94 +0 59 65 64 1.788 103.452 C94 +0 59 65 81 1.774 104.872 E94 +0 0 66 0 0.000 106.900 0:*-66-* MMFF94 DEF +0 63 66 64 1.206 103.779 C94 +0 63 66 66 1.406 106.735 C94 +0 63 66 78 1.339 105.365 E94 +0 63 66 81 1.408 106.806 E94 +0 64 66 65 1.709 107.658 C94 +0 65 66 66 1.932 111.306 C94 +0 0 67 0 0.000 119.900 0:*-67-* MMFF94 DEF +1 0 67 0 0.000 116.600 1:*-67-* MMFF94 DEF +0 1 67 3 0.982 120.683 E94 +0 1 67 9 1.178 115.581 E94 +0 1 67 32 1.233 119.589 E94 +0 1 67 67 1.257 111.574 E94 +1 2 67 32 1.118 126.320 E94 +1 2 67 67 1.231 113.438 E94 +0 3 67 23 0.567 128.000 #E94 +0 3 67 32 1.290 120.945 E94 +1 3 67 37 1.122 113.631 E94 +1 9 67 30 1.142 118.899 E94 +0 9 67 32 1.325 125.531 E94 +1 9 67 37 1.186 115.979 E94 +0 23 67 32 0.805 120.000 #E94 +1 30 67 32 1.370 114.854 E94 +1 32 67 37 1.240 120.019 E94 +0 32 67 67 1.504 117.327 E94 +1 37 67 67 1.310 110.017 E94 +0 0 68 0 0.000 108.800 0:*-68-* MMFF94 DEF +0 1 68 1 1.159 108.238 C94 +0 1 68 23 0.772 107.200 C94 +0 1 68 32 0.958 110.757 C94 +0 23 68 23 0.650 104.892 C94 +0 23 68 32 0.659 112.977 C94 +0 0 69 0 0.000 120.300 0:*-69-* MMFF94 DEF +0 32 69 37 1.123 121.777 C94 +0 32 69 38 1.486 117.217 E94 +0 37 69 37 1.223 116.447 C94 +0 38 69 38 1.122 125.930 E94 +0 31 70 31 0.658 103.978 C94 +0 0 73 0 0.000 106.600 0:*-73-* MMFF94 DEF +0 1 73 32 1.590 100.180 X94 +0 1 73 72 1.481 96.166 X94 +0 32 73 32 1.665 115.012 X94 +0 32 73 72 1.326 115.134 X94 +0 0 74 0 0.000 113.000 0:*-74-* MMFF94 DEF +0 3 74 7 1.357 113.010 X94 +0 0 75 0 0.000 94.900 0:*-75-* MMFF94 DEF +0 1 75 3 1.138 96.779 E94 +0 3 75 19 1.044 91.970 E94 +0 3 75 71 0.729 95.899 X94 +0 0 76 0 0.000 107.600 0:*-76-* MMFF94 DEF +0 76 76 76 1.434 109.889 X94 +0 76 76 78 1.493 103.519 X94 +0 78 76 78 1.235 109.421 E94 +0 0 77 0 0.000 109.500 0:*-77-* MMFF94 DEF +0 32 77 32 1.652 109.472 X94 +0 0 78 0 0.000 121.900 0:*-78-* MMFF94 DEF +1 0 78 0 0.000 126.100 1:*-78-* MMFF94 DEF +0 1 78 78 0.744 130.960 E94 +0 1 78 81 0.938 121.477 E94 +1 3 78 78 0.827 125.468 E94 +1 3 78 81 0.922 123.748 E94 +0 5 78 76 0.584 123.407 X94 +0 5 78 78 0.546 128.000 C94 +0 5 78 79 0.617 122.000 #E94 +0 5 78 81 0.542 109.881 C94 +1 9 78 78 0.863 129.501 E94 +1 9 78 81 0.991 125.857 E94 +0 37 78 76 0.770 137.282 E94 +0 37 78 78 0.803 128.249 E94 +0 37 78 81 0.864 128.714 E94 +0 38 78 78 0.844 130.617 E94 +0 38 78 81 1.023 123.532 E94 +0 39 78 64 0.734 138.714 E94 +0 39 78 78 1.202 109.426 E94 +0 40 78 76 0.930 130.150 E94 +0 40 78 78 0.778 135.746 E94 +0 40 78 81 1.058 121.251 E94 +0 44 78 63 0.677 141.902 E94 +0 44 78 64 0.663 142.589 E94 +0 44 78 66 0.816 134.701 E94 +0 44 78 78 1.089 111.702 E94 +0 45 78 76 1.199 114.467 E94 +0 45 78 78 0.915 125.050 E94 +0 45 78 81 1.216 112.926 E94 +0 59 78 64 0.963 128.471 E94 +0 59 78 65 1.097 128.375 E94 +0 59 78 78 1.443 105.916 E94 +0 63 78 64 0.942 117.779 E94 +0 64 78 65 0.835 131.530 E94 +0 64 78 78 1.038 111.834 E94 +0 66 78 78 1.030 118.376 E94 +0 76 78 76 1.245 113.179 X94 +0 76 78 78 1.159 111.900 E94 +0 78 78 78 1.336 99.459 E94 +0 78 78 81 1.302 105.130 C94 +0 79 78 81 1.217 114.792 E94 +0 0 79 0 0.000 103.400 0:*-79-* MMFF94 DEF +0 78 79 81 1.569 102.043 E94 +0 79 79 81 1.625 104.857 E94 +0 0 80 0 0.000 121.900 0:*-80-* MMFF94 DEF +1 0 80 0 0.000 128.200 1:*-80-* MMFF94 DEF +0 1 80 81 0.864 127.147 E94 +1 3 80 81 0.886 128.181 E94 +0 5 80 81 0.651 125.682 C94 +0 18 80 81 1.032 120.869 E94 +0 41 80 81 0.909 125.057 E94 +0 44 80 55 0.918 127.755 E94 +0 44 80 81 1.184 112.411 E94 +0 55 80 59 1.254 120.263 E94 +0 55 80 81 0.991 127.612 E94 +0 56 80 81 1.003 126.038 E94 +0 59 80 81 1.439 112.030 E94 +0 81 80 81 1.205 108.609 C94 +0 0 81 0 0.000 119.500 0:*-81-* MMFF94 DEF +0 1 81 63 0.996 120.129 E94 +0 1 81 64 0.978 119.970 E94 +0 1 81 78 0.879 126.535 E94 +0 1 81 79 1.144 116.113 E94 +0 1 81 80 0.895 126.324 E94 +1 2 81 78 0.927 125.080 E94 +1 2 81 80 0.895 128.399 E94 +1 9 81 78 1.015 124.270 E94 +1 9 81 80 1.106 120.028 E94 +0 36 81 64 0.522 130.295 E94 +0 36 81 66 0.583 128.738 E94 +0 36 81 78 0.578 124.658 C94 +0 36 81 80 0.575 124.787 C94 +0 37 81 64 0.929 122.408 E94 +1 37 81 64 0.983 119.722 E94 +0 37 81 65 1.184 114.158 E94 +1 37 81 65 1.281 110.477 E94 +1 37 81 78 0.884 126.208 E94 +1 37 81 80 0.940 123.333 E94 +0 63 81 64 1.115 114.945 E94 +0 64 81 65 1.075 122.099 E94 +0 64 81 80 1.143 113.176 E94 +0 66 81 80 1.067 122.250 E94 +0 78 81 80 0.957 110.556 C94 +0 79 81 80 1.379 107.936 E94 +0 32 82 59 1.666 114.660 E94 +0 32 82 64 1.075 131.706 E94 +0 32 82 65 1.238 129.293 E94 +0 59 82 64 1.563 105.660 E94 +0 64 82 65 1.281 112.955 E94 +$ +6. MMFFBNDK.PAR: This file supplies parameters employed in the empirical + rule used for bond-stretching force constants. +* +* Copyright (c) Merck and Co., Inc., 1994, 1995, 1996 +* All Rights Reserved +* +* MMFF BOND LENGTH, FORCE CONSTANT DEFAULT-RULE PARAMETERS +* C94 = Fitted to ab-initio derived core MMFF94 force constants +* E94 = Based on Herschberg/Laurie parameterization of Badger's rule +* +* species r0(ref) kb(ref) Source + 1 6 1.084 5.15 C94 + 1 7 1.001 7.35 C94 + 1 8 0.947 9.10 C94 + 1 9 0.92 10.6 E94 + 1 14 1.48 2.3 E94 + 1 15 1.415 2.95 C94 + 1 16 1.326 4.30 C94 + 1 17 1.28 4.3 E94 + 1 35 1.41 4.2 E94 + 1 53 1.60 2.7 E94 + 6 6 1.512 3.80 C94 + 6 7 1.439 4.55 C94 + 6 8 1.393 5.40 C94 + 6 9 1.353 6.20 C94 + 6 14 1.86 2.6 E94 + 6 15 1.84 2.7 E94 + 6 16 1.812 2.85 C94 + 6 17 1.781 2.75 C94 + 6 35 1.94 2.6 E94 + 6 53 2.16 1.4 E94 + 7 7 1.283 6.00 C94 + 7 8 1.333 5.90 C94 + 7 9 1.36 5.9 E94 + 7 14 1.74 3.7 E94 + 7 15 1.65 4.8 E94 + 7 16 1.674 3.75 C94 + 7 17 1.75 3.5 E94 + 7 35 1.90 2.9 E94 + 7 53 2.10 1.6 E94 + 8 8 1.48 3.6 E94 + 8 9 1.42 4.6 E94 + 8 14 1.63 5.2 E94 + 8 15 1.66 4.7 E94 + 8 16 1.470 9.90 C94 + 8 17 1.70 4.1 E94 + 8 35 1.85 3.4 E94 + 8 53 2.05 1.6 E94 + 9 14 1.57 6.4 E94 + 9 15 1.54 7.1 E94 + 9 16 1.55 6.9 E94 + 14 14 2.32 1.3 E94 + 14 15 2.25 1.5 E94 + 14 16 2.15 2.0 E94 + 14 17 2.02 3.1 E94 + 14 35 2.19 2.1 E94 + 14 53 2.44 1.5 E94 + 15 15 2.21 1.7 E94 + 15 16 2.10 2.4 E94 + 15 17 2.03 3.0 E94 + 15 35 2.21 2.0 E94 + 15 53 2.47 1.4 E94 + 16 16 2.052 2.50 C94 + 16 17 2.04 2.9 E94 + 16 35 2.24 1.9 E94 + 16 53 2.40 1.7 E94 + 17 17 1.99 3.5 E94 + 35 35 2.28 2.4 E94 + 53 53 2.67 1.6 E94 +$ +6. MMFFBOND.PAR: This file supplies parameters for bond-stretching + interactions. +* +* Copyright (c) Merck and Co., Inc., 1994, 1995, 1996 +* All Rights Reserved +* +* MMFF BOND PARAMETERS- Rev: 26-OCT-94 Source: MMFF94 +* C94 = CORE MMFF94 parameter - obtained from ab initio data +* X94 = EXTD MMFF94 parameter - fit to additional ab initio data +* E94 = r0 from fit to X-ray data, kb from empirical rule +* #C94 = r0 lies between C94 and E94 values, kb from empirical rule +* #X94 = r0 lies between X94 and E94 values, kb from empirical rule +* #E94 = r0 and k both from empirical rules +* +* types kb r0 Source +0 1 1 4.258 1.508 C94 +0 1 2 4.539 1.482 C94 +0 1 3 4.190 1.492 C94 +0 1 4 4.707 1.459 X94 +0 1 5 4.766 1.093 C94 +0 1 6 5.047 1.418 C94 +0 1 8 5.084 1.451 C94 +0 1 9 4.763 1.458 C94 +0 1 10 4.664 1.436 C94 +0 1 11 6.011 1.360 #C94 +0 1 12 2.974 1.773 C94 +0 1 13 2.529 1.949 E94 +0 1 14 1.706 2.090 E94 +0 1 15 2.893 1.805 C94 +0 1 17 2.841 1.813 X94 +0 1 18 3.258 1.772 X94 +0 1 19 2.866 1.830 #X94 +0 1 20 4.650 1.504 C94 +0 1 22 4.286 1.482 E94 +0 1 25 2.980 1.810 #X94 +0 1 26 2.790 1.830 #X94 +0 1 34 3.844 1.480 #C94 +0 1 35 7.915 1.307 X94 +0 1 37 4.957 1.486 C94 +0 1 39 6.114 1.445 C94 +0 1 40 4.922 1.446 C94 +0 1 41 3.830 1.510 #C94 +0 1 43 3.971 1.472 X94 +0 1 45 3.844 1.480 X94 +0 1 46 3.813 1.482 X94 +0 1 54 4.267 1.461 C94 +0 1 55 4.646 1.454 C94 +0 1 56 4.166 1.453 C94 +0 1 57 4.669 1.461 E94 +0 1 58 4.329 1.451 E94 +0 1 61 4.845 1.424 X94 +0 1 62 4.456 1.444 X94 +0 1 63 4.481 1.471 E94 +0 1 64 4.518 1.469 E94 +0 1 67 4.188 1.459 E94 +0 1 68 4.217 1.479 C94 +0 1 72 2.956 1.801 X94 +0 1 73 2.608 1.839 X94 +0 1 75 2.547 1.858 E94 +0 1 78 4.593 1.465 E94 +0 1 80 4.373 1.477 E94 +0 1 81 4.512 1.441 E94 +0 2 2 9.505 1.333 C94 +1 2 2 5.310 1.430 #C94 +1 2 3 4.565 1.468 C94 +0 2 4 9.538 1.297 E94 +1 2 4 5.657 1.415 E94 +0 2 5 5.170 1.083 C94 +0 2 6 5.520 1.373 C94 +1 2 9 6.385 1.360 E94 +0 2 10 6.329 1.362 E94 +0 2 11 6.283 1.350 #X94 +0 2 12 3.390 1.720 #X94 +0 2 13 3.413 1.854 E94 +0 2 14 2.062 2.025 E94 +0 2 15 3.896 1.720 E94 +0 2 17 3.247 1.773 E94 +0 2 18 3.789 1.728 E94 +0 2 19 3.052 1.811 E94 +0 2 20 4.593 1.465 E94 +0 2 22 4.926 1.448 E94 +0 2 25 3.750 1.742 E94 +0 2 30 8.166 1.331 E94 +0 2 34 5.207 1.407 E94 +0 2 35 10.343 1.250 #X94 +1 2 37 5.007 1.449 C94 +1 2 39 6.164 1.368 E94 +0 2 40 6.110 1.370 #C94 +0 2 41 3.746 1.505 C94 +0 2 43 4.928 1.420 E94 +0 2 45 4.725 1.430 #X94 +0 2 46 7.466 1.325 E94 +0 2 55 6.164 1.368 E94 +0 2 56 6.246 1.365 E94 +0 2 62 7.105 1.336 X94 +1 2 63 6.030 1.400 E94 +1 2 64 5.754 1.411 E94 +1 2 67 4.685 1.432 E94 +0 2 72 4.179 1.700 #X94 +1 2 81 6.357 1.361 E94 +1 3 3 4.418 1.489 C94 +1 3 4 5.135 1.438 E94 +0 3 5 4.650 1.101 C94 +0 3 6 5.801 1.355 C94 +0 3 7 12.950 1.222 C94 +0 3 9 10.077 1.290 C94 +1 3 9 6.273 1.364 E94 +0 3 10 5.829 1.369 C94 +0 3 11 6.570 1.340 E94 +0 3 12 3.449 1.715 E94 +0 3 15 3.536 1.748 E94 +0 3 16 4.735 1.665 E94 +0 3 17 2.888 1.808 E94 +0 3 18 3.394 1.760 E94 +0 3 20 3.298 1.530 C94 +0 3 22 4.593 1.465 E94 +0 3 25 3.164 1.792 E94 +1 3 30 4.481 1.471 E94 +0 3 35 11.012 1.237 E94 +1 3 37 4.488 1.457 C94 +1 3 39 5.978 1.375 E94 +0 3 40 6.110 1.370 #C94 +0 3 41 4.286 1.482 E94 +0 3 43 4.928 1.420 X94 +0 3 45 4.531 1.440 E94 +0 3 48 5.412 1.398 E94 +0 3 51 8.562 1.290 #X94 +0 3 53 7.637 1.320 #X94 +0 3 54 10.333 1.280 C94 +1 3 54 2.771 1.563 E94 +0 3 55 4.886 1.422 E94 +0 3 56 4.907 1.421 E94 +1 3 57 5.492 1.422 E94 +1 3 58 5.163 1.409 E94 +0 3 62 7.568 1.322 E94 +1 3 63 5.468 1.423 E94 +1 3 64 5.288 1.431 E94 +0 3 67 8.217 1.304 E94 +0 3 74 5.204 1.639 X94 +0 3 75 4.191 1.710 #X94 +1 3 78 5.705 1.413 E94 +1 3 80 6.719 1.375 E94 +0 4 4 15.206 1.200 #X94 +0 4 5 5.726 1.065 X94 +0 4 6 7.193 1.328 E94 +0 4 7 14.916 1.176 E94 +0 4 9 15.589 1.172 E94 +1 4 9 7.041 1.338 E94 +0 4 10 6.824 1.345 E94 +0 4 15 4.330 1.690 E94 +0 4 20 5.178 1.436 E94 +0 4 22 5.400 1.426 E94 +0 4 30 10.227 1.282 E94 +1 4 37 5.445 1.424 E94 +0 4 42 16.582 1.160 #X94 +0 4 43 6.947 1.341 E94 +1 4 63 5.633 1.416 E94 +1 4 64 5.492 1.422 E94 +0 5 19 2.254 1.485 X94 +0 5 20 4.852 1.093 C94 +0 5 22 5.191 1.082 C94 +0 5 30 5.176 1.086 C94 +0 5 37 5.306 1.084 C94 +0 5 41 3.256 1.144 C94 +0 5 57 5.633 1.076 C94 +0 5 63 5.531 1.080 C94 +0 5 64 5.506 1.080 C94 +0 5 78 5.506 1.080 C94 +0 5 80 5.633 1.076 C94 +0 6 6 4.088 1.449 E94 +0 6 8 5.059 1.450 C94 +0 6 9 4.491 1.395 E94 +0 6 10 5.982 1.410 C94 +0 6 15 4.757 1.661 E94 +0 6 17 5.779 1.608 E94 +0 6 18 5.326 1.630 #X94 +0 6 19 4.661 1.660 #X94 +0 6 20 5.623 1.433 C94 +0 6 21 7.794 0.972 C94 +0 6 22 4.556 1.433 E94 +0 6 24 7.403 0.981 C94 +0 6 25 5.243 1.630 #X94 +0 6 26 5.481 1.618 E94 +0 6 29 7.839 0.973 C94 +0 6 30 9.359 1.271 E94 +0 6 33 7.143 0.986 X94 +0 6 37 5.614 1.376 C94 +0 6 39 4.629 1.388 E94 +0 6 40 4.609 1.389 E94 +0 6 41 6.754 1.342 E94 +0 6 43 3.937 1.426 E94 +0 6 45 4.321 1.404 X94 +0 6 54 5.117 1.365 E94 +0 6 55 4.772 1.381 E94 +0 6 57 7.128 1.330 E94 +0 6 58 4.792 1.380 E94 +0 6 63 7.324 1.324 E94 +0 6 64 6.664 1.345 E94 +0 7 17 8.770 1.500 #X94 +0 7 46 9.329 1.235 X94 +0 7 74 9.129 1.490 #X94 +0 8 8 3.264 1.420 E94 +0 8 9 4.581 1.342 E94 +0 8 10 3.909 1.378 E94 +0 8 12 3.371 1.761 E94 +0 8 15 4.060 1.652 E94 +0 8 17 3.901 1.663 E94 +0 8 19 4.254 1.700 E94 +0 8 20 5.107 1.456 C94 +0 8 22 4.223 1.457 E94 +0 8 23 6.490 1.019 C94 +0 8 25 4.629 1.660 E94 +0 8 26 4.027 1.699 E94 +0 8 34 3.775 1.386 E94 +0 8 39 3.435 1.408 E94 +0 8 40 3.710 1.390 E94 +0 8 43 3.977 1.374 E94 +0 8 45 4.267 1.358 E94 +0 8 46 5.519 1.301 E94 +0 8 55 4.229 1.360 E94 +0 8 56 3.995 1.373 E94 +0 9 9 7.256 1.243 E94 +1 9 9 3.808 1.384 E94 +0 9 10 4.480 1.347 E94 +0 9 12 3.635 1.739 E94 +0 9 15 3.791 1.671 E94 +0 9 18 4.465 1.626 E94 +0 9 19 3.687 1.741 E94 +0 9 20 4.401 1.447 E94 +0 9 25 5.379 1.619 E94 +0 9 27 6.230 1.026 C94 +0 9 34 3.223 1.423 E94 +0 9 35 5.095 1.366 E94 +1 9 37 5.529 1.393 E94 +1 9 39 4.685 1.337 E94 +0 9 40 4.382 1.352 E94 +0 9 41 5.650 1.388 E94 +0 9 45 4.857 1.329 E94 +0 9 53 7.291 1.242 X94 +0 9 54 4.991 1.323 E94 +0 9 55 3.825 1.383 E94 +0 9 56 4.602 1.341 E94 +1 9 57 6.824 1.345 E94 +0 9 62 4.749 1.334 E94 +1 9 63 6.824 1.345 E94 +1 9 64 5.458 1.396 E94 +0 9 67 6.752 1.258 E94 +1 9 78 6.644 1.351 E94 +1 9 81 3.909 1.378 E94 +0 10 10 3.977 1.374 E94 +0 10 13 3.110 1.878 E94 +0 10 14 1.967 2.029 E94 +0 10 15 3.593 1.686 E94 +0 10 17 3.930 1.661 E94 +0 10 20 4.240 1.456 E94 +0 10 22 4.970 1.418 E94 +0 10 25 3.820 1.714 E94 +0 10 26 3.651 1.727 E94 +0 10 28 6.663 1.015 C94 +0 10 34 3.960 1.375 E94 +0 10 35 4.898 1.375 E94 +0 10 37 5.482 1.395 E94 +0 10 39 4.382 1.352 E94 +0 10 40 3.841 1.382 E94 +0 10 41 7.466 1.325 E94 +0 10 45 3.524 1.402 E94 +0 10 63 6.137 1.369 E94 +0 10 64 5.952 1.376 E94 +0 11 20 6.339 1.348 E94 +0 11 22 5.296 1.389 X94 +0 11 25 6.019 1.583 E94 +0 11 26 6.204 1.575 E94 +0 11 37 6.511 1.342 E94 +0 11 40 4.187 1.440 E94 +0 12 15 2.978 2.031 E94 +0 12 18 2.808 2.051 E94 +0 12 19 2.838 2.050 #X94 +0 12 20 2.859 1.751 C94 +0 12 22 3.056 1.750 #X94 +0 12 25 3.063 2.023 E94 +0 12 26 2.448 2.100 #X94 +0 12 37 3.378 1.721 E94 +0 12 40 3.737 1.731 E94 +0 12 57 3.714 1.694 E94 +0 12 63 3.413 1.718 E94 +0 12 64 3.649 1.699 E94 +0 13 20 2.767 1.920 E94 +0 13 22 2.928 1.902 E94 +0 13 37 3.031 1.891 E94 +0 13 64 3.031 1.891 E94 +0 14 20 0.884 2.332 E94 +0 14 37 1.781 2.075 E94 +0 15 15 2.531 2.050 C94 +0 15 18 2.214 2.094 E94 +0 15 19 2.022 2.146 E94 +0 15 20 2.757 1.822 E94 +0 15 22 3.802 1.727 E94 +0 15 25 2.319 2.112 E94 +0 15 26 2.359 2.106 E94 +0 15 30 3.750 1.731 E94 +0 15 37 3.565 1.765 C94 +0 15 40 3.859 1.666 E94 +0 15 43 3.221 1.717 E94 +0 15 57 3.993 1.713 E94 +0 15 63 3.724 1.733 E94 +0 15 64 3.548 1.747 E94 +0 15 71 4.014 1.341 C94 +0 17 20 2.397 1.865 E94 +0 17 22 2.566 1.844 E94 +0 17 37 3.098 1.787 E94 +0 17 43 4.900 1.601 E94 +0 18 20 3.172 1.780 E94 +0 18 22 2.757 1.822 E94 +0 18 32 10.748 1.450 #X94 +0 18 37 3.281 1.770 X94 +0 18 39 3.504 1.693 X94 +0 18 43 3.301 1.710 #X94 +0 18 48 6.186 1.540 X94 +0 18 55 4.432 1.628 E94 +0 18 58 2.568 1.783 E94 +0 18 62 5.510 1.570 #X94 +0 18 63 3.524 1.749 E94 +0 18 64 3.856 1.723 E94 +0 18 80 4.150 1.702 E94 +0 19 20 2.288 1.900 E94 +0 19 37 3.072 1.809 E94 +0 19 40 4.470 1.686 E94 +0 19 63 3.219 1.795 E94 +0 19 75 1.600 2.226 E94 +0 20 20 3.663 1.526 C94 +0 20 22 4.251 1.484 E94 +0 20 25 2.718 1.838 E94 +0 20 26 2.588 1.853 E94 +0 20 30 3.977 1.507 C94 +0 20 34 4.171 1.460 E94 +0 20 37 3.740 1.516 E94 +0 20 40 4.784 1.427 E94 +0 20 41 4.286 1.482 E94 +0 20 43 3.737 1.487 E94 +0 20 45 3.844 1.480 E94 +0 22 22 3.969 1.499 C94 +0 22 30 3.785 1.513 E94 +0 22 34 4.103 1.464 E94 +0 22 37 4.481 1.471 E94 +0 22 40 4.188 1.459 E94 +0 22 41 5.071 1.441 E94 +0 22 43 4.070 1.466 E94 +0 22 45 4.311 1.452 E94 +0 23 39 7.112 1.012 C94 +0 23 62 6.339 1.026 X94 +0 23 67 6.610 1.019 #E94 +0 23 68 5.899 1.038 C94 +0 25 25 1.514 2.253 E94 +0 25 32 8.296 1.510 #X94 +0 25 37 3.586 1.755 E94 +0 25 39 4.370 1.676 E94 +0 25 40 4.629 1.660 E94 +0 25 43 3.237 1.762 X94 +0 25 57 4.356 1.699 E94 +0 25 63 3.711 1.745 E94 +0 25 71 3.001 1.411 X94 +0 25 72 3.744 1.950 #X94 +0 26 26 1.414 2.279 E94 +0 26 34 3.395 1.748 E94 +0 26 37 3.207 1.788 E94 +0 26 40 4.870 1.646 E94 +0 26 71 2.959 1.415 C94 +0 28 40 6.576 1.018 C94 +0 28 43 6.265 1.028 X94 +0 28 48 6.413 1.024 X94 +0 30 30 9.579 1.343 C94 +1 30 30 5.355 1.428 E94 +0 30 40 8.447 1.298 E94 +1 30 67 5.274 1.404 E94 +0 31 70 7.880 0.969 C94 +0 32 41 9.756 1.261 C94 +0 32 45 9.420 1.233 X94 +0 32 67 7.926 1.269 E94 +0 32 68 4.398 1.348 C94 +0 32 69 6.098 1.261 C94 +0 32 73 8.427 1.510 #X94 +0 32 77 10.648 1.450 #X94 +0 32 82 8.594 1.252 E94 +0 34 36 6.163 1.028 C94 +0 34 37 4.347 1.450 E94 +0 34 43 4.401 1.351 E94 +0 35 37 9.767 1.262 E94 +0 35 63 12.760 1.207 E94 +0 36 54 6.529 1.022 C94 +0 36 55 6.744 1.014 C94 +0 36 56 6.490 1.017 C94 +0 36 58 6.610 1.019 #E94 +0 36 81 6.980 1.016 C94 +0 37 37 5.573 1.374 C94 +1 37 37 5.178 1.436 E94 +0 37 38 5.737 1.333 C94 +0 37 39 5.978 1.375 E94 +1 37 39 5.650 1.388 E94 +0 37 40 6.168 1.398 C94 +0 37 41 4.537 1.468 E94 +0 37 43 4.764 1.428 X94 +0 37 45 4.705 1.431 E94 +0 37 46 6.191 1.367 E94 +0 37 55 6.615 1.352 E94 +0 37 56 5.055 1.414 E94 +1 37 57 5.092 1.440 E94 +0 37 58 7.432 1.326 E94 +1 37 58 5.055 1.414 E94 +0 37 61 5.724 1.385 E94 +0 37 62 7.137 1.335 E94 +0 37 63 6.095 1.372 C94 +1 37 63 5.178 1.436 E94 +0 37 64 6.161 1.379 C94 +1 37 64 5.265 1.432 E94 +1 37 67 4.725 1.430 E94 +0 37 69 5.396 1.352 C94 +0 37 78 6.719 1.375 E94 +0 37 81 3.987 1.471 E94 +1 37 81 4.531 1.440 E94 +0 38 38 5.002 1.246 C94 +0 38 63 7.299 1.330 E94 +0 38 64 6.978 1.340 E94 +0 38 69 5.036 1.321 E94 +0 38 78 6.218 1.366 E94 +0 39 40 4.101 1.367 E94 +0 39 45 3.524 1.402 E94 +0 39 63 6.301 1.364 C94 +1 39 63 6.137 1.369 E94 +0 39 64 6.357 1.361 E94 +1 39 64 5.482 1.395 E94 +0 39 65 5.513 1.339 C94 +0 39 78 6.137 1.369 E94 +0 40 40 4.248 1.359 E94 +0 40 45 4.305 1.356 E94 +0 40 46 4.727 1.335 E94 +0 40 54 6.817 1.256 E94 +0 40 63 6.733 1.348 E94 +0 40 64 6.644 1.351 E94 +0 40 78 5.900 1.378 E94 +0 41 41 5.029 1.443 E94 +0 41 55 5.577 1.391 E94 +0 41 62 7.137 1.335 E94 +0 41 72 4.519 1.678 X94 +0 41 80 5.222 1.434 E94 +0 42 61 16.223 1.087 E94 +0 43 43 4.211 1.361 E94 +0 43 45 3.710 1.390 E94 +0 43 64 5.389 1.399 E94 +0 44 63 3.589 1.717 C94 +0 44 65 3.374 1.684 C94 +0 44 78 3.711 1.734 E94 +0 44 80 3.910 1.719 E94 +0 45 63 5.119 1.411 E94 +0 45 64 5.076 1.413 E94 +0 45 78 5.724 1.385 E94 +0 47 53 12.192 1.140 #X94 +0 49 50 6.812 0.991 C94 +0 51 52 7.100 0.987 X94 +0 55 57 7.227 1.319 C94 +0 55 62 3.977 1.374 E94 +0 55 64 5.529 1.393 E94 +0 55 80 7.500 1.324 E94 +0 56 57 4.137 1.383 C94 +0 56 63 5.900 1.378 E94 +0 56 80 6.470 1.357 E94 +1 57 63 5.400 1.426 E94 +1 57 64 5.135 1.438 E94 +0 58 63 6.794 1.346 E94 +0 58 64 6.164 1.368 E94 +0 59 63 5.787 1.360 C94 +0 59 65 4.756 1.388 C94 +0 59 78 6.127 1.364 E94 +0 59 80 7.064 1.332 E94 +0 59 82 3.855 1.431 E94 +0 60 61 15.749 1.170 #X94 +0 62 63 6.947 1.341 E94 +0 62 64 6.273 1.364 E94 +1 63 63 5.729 1.412 E94 +0 63 64 7.118 1.377 C94 +0 63 66 8.326 1.313 C94 +0 63 72 4.503 1.679 E94 +0 63 78 7.434 1.352 E94 +0 63 81 7.778 1.316 E94 +0 64 64 4.313 1.418 C94 +1 64 64 4.926 1.448 E94 +0 64 65 8.258 1.335 C94 +0 64 66 4.456 1.369 C94 +0 64 78 5.492 1.422 E94 +0 64 81 5.824 1.381 E94 +0 64 82 6.794 1.346 E94 +0 65 66 7.243 1.323 C94 +0 65 78 8.447 1.298 E94 +0 65 81 5.223 1.313 E94 +0 65 82 5.622 1.297 E94 +0 66 66 3.874 1.368 C94 +0 66 78 6.385 1.360 E94 +0 66 81 3.960 1.375 E94 +0 67 67 6.085 1.280 E94 +0 71 75 2.852 1.423 X94 +0 72 73 2.628 2.035 X94 +0 76 76 4.286 1.357 X94 +0 76 78 6.824 1.345 X94 +0 78 78 5.573 1.374 C94 +0 78 79 8.890 1.287 E94 +0 78 81 5.046 1.381 C94 +0 79 79 6.408 1.269 E94 +0 79 81 4.305 1.356 E94 +0 80 81 8.237 1.335 C94 +$ +11. MMFFOOP.PAR: This file supplies parameters for out-of-plane bending + interactions. +* +* Copyright (c) Merck and Co., Inc., 1994, 1995, 1996 +* All Rights Reserved +* +* MMFF OUT-OF-PLANE PARAMETERS- Rev: 15-OCT-93 Source: MMFF94 +* C94 - CORE MMFF94 parameter, from fits to HF/6-31G* 2nd D's +* #C94 - Value adjusted from CORE MMFF93 value +* +* MMFF atom types koop Source + 0 2 0 0 0.020 *-2-*-* C94 DEF + 1 2 1 2 0.030 C94 + 1 2 2 2 0.027 C94 + 1 2 2 3 0.026 C94 + 1 2 2 5 0.013 C94 + 1 2 2 37 0.032 C94 + 2 2 2 5 0.013 C94 + 2 2 3 5 0.012 C94 + 2 2 5 5 0.006 C94 + 2 2 5 6 0.027 C94 + 2 2 5 37 0.017 C94 + 2 2 5 40 0.012 C94 + 2 2 5 41 0.008 C94 + 0 3 0 0 0.130 *-3-*-* C94 DEF + 1 3 1 7 0.146 C94 + 1 3 2 7 0.138 C94 + 1 3 3 7 0.134 C94 + 1 3 5 7 0.122 C94 + 1 3 6 7 0.141 C94 + 1 3 7 10 0.129 C94 + 1 3 7 37 0.138 C94 + 2 3 5 7 0.113 C94 + 2 3 5 9 0.081 C94 + 2 3 6 7 0.127 C94 + 2 3 7 10 0.116 C94 + 3 3 5 7 0.113 C94 + 3 3 6 7 0.127 C94 + 5 3 5 7 0.103 C94 + 5 3 5 9 0.074 C94 + 5 3 5 54 0.078 C94 + 5 3 6 7 0.119 C94 + 5 3 7 10 0.102 C94 + 5 3 9 40 0.067 C94 + 6 3 7 37 0.127 C94 + 7 3 10 10 0.113 C94 + 7 3 20 20 0.151 C94 + 9 3 40 40 0.057 C94 + 0 8 0 0 0.000 *-8-*-* C94 DEF + 0 10 0 0 -0.020 *-10-*-* C94 DEF + 1 10 1 3 -0.02 #C94 (C93=-0.034) + 1 10 3 6 -0.033 C94 + 1 10 3 28 -0.02 #C94 (C93=-0.030) + 3 10 3 28 -0.030 C94 + 3 10 28 28 -0.019 C94 + 0 17 0 0 0.000 *-17-*-* E94 DEF + 0 26 0 0 0.000 *-26-*-* CE4 DEF + 0 30 0 0 0.010 *-30-*-* C94 DEF + 5 30 20 30 0.008 C94 + 0 37 0 0 0.035 *-37-*-* C94 DEF + 1 37 37 37 0.040 C94 + 2 37 37 37 0.031 C94 + 3 37 37 37 0.027 C94 + 5 37 37 37 0.015 C94 + 5 37 37 38 0.046 C94 + 5 37 37 63 0.008 C94 + 5 37 37 64 0.012 C94 + 5 37 37 69 0.016 C94 + 5 37 38 38 0.084 C94 + 6 37 37 37 0.048 C94 + 15 37 37 37 0.025 C94 + 37 37 37 40 0.046 C94 + 0 39 0 0 0.020 *-39-*-* C94 DEF + 1 39 63 63 0.012 C94 + 23 39 63 63 -0.014 C94 + 23 39 63 65 0.021 C94 + 23 39 65 65 0.062 C94 + 0 40 0 0 -0.005 *-40-*-* C94 DEF + 1 40 28 37 -0.006 C94 + 2 40 28 28 -0.007 C94 + 3 40 28 28 -0.007 C94 + 28 40 28 37 0.004 C94 + 0 41 0 0 0.180 *-41-*-* C94 DEF + 1 41 32 32 0.178 C94 + 2 41 32 32 0.161 C94 + 5 41 32 32 0.158 C94 + 0 43 0 0 0.000 *-43-*-* E94 DEF + 0 45 0 0 0.150 *-45-*-* E94 DEF + 0 49 0 0 0.000 *-49-*-* E94 DEF + 50 49 50 50 0.000 #C94 + 0 54 0 0 0.020 *-54-*-* C94 DEF + 1 54 3 36 0.016 C94 + 3 54 36 36 0.018 C94 + 0 55 0 0 0.020 *-55-*-* C94 DEF + 1 55 36 57 0.020 #C94 + 36 55 36 57 0.020 #C94 + 0 56 0 0 0.020 *-56-*-* C94 DEF + 1 56 36 57 0.020 #C94 + 36 56 36 57 0.020 #C94 + 0 57 0 0 0.080 *-57-*-* C94 DEF + 5 57 55 55 0.038 C94 + 56 57 56 56 0.158 C94 + 0 58 0 0 0.025 *-58-*-* E94 DEF + 0 63 0 0 0.050 *-63-*-* C94 DEF + 5 63 39 64 0.019 C94 + 5 63 39 66 0.068 C94 + 5 63 44 64 0.014 C94 + 5 63 44 66 0.055 C94 + 5 63 59 64 0.033 C94 + 5 63 59 66 0.085 C94 + 37 63 39 64 0.010 C94 + 0 64 0 0 0.040 *-64-*-* C94 DEF + 5 64 63 64 0.006 C94 + 5 64 63 66 0.043 C94 + 5 64 64 65 0.052 C94 + 5 64 65 66 0.094 C94 + 37 64 63 64 -0.011 C94 + 0 67 0 0 0.070 *-67-*-* E94 DEF + 0 69 0 0 0.070 *-69-*-* C94 DEF + 32 69 37 37 0.067 C94 + 0 73 0 0 0.000 *-73-*-* E94 DEF + 0 78 0 0 0.045 *-78-*-* C94 DEF + 5 78 78 81 0.046 C94 + 0 80 0 0 0.080 *-80-*-* C94 DEF + 5 80 81 81 0.057 C94 + 0 81 0 0 0.025 *-81-*-* C94 DEF + 36 81 78 80 0.016 C94 + 0 82 0 0 0.000 *-82-*-* E94 DEF +$ +9. MMFFSTBN.PAR:: This file supplies parameters for stretch-bend interactions. +* +* Copyright (c) Merck and Co., Inc., 1994, 1995, 1996 +* All Rights Reserved +* +* MMFF STRETCH-BEND PARAMETERS- Rev: 23-FEB-93 Source: MMFF94 +* C94 - CORE MMFF94 parameter, from fits to HF/6-31G* 2nd D's +* X94 - EXTD MMFF94 parameter, also from fits to HF/6-31G* 2nd D's +* +* types I, J, K kbaIJK kbaKJI Source +0 1 1 1 0.206 0.206 C94 +0 1 1 2 0.136 0.197 C94 +0 1 1 3 0.211 0.092 C94 +0 1 1 5 0.227 0.070 C94 +0 1 1 6 0.173 0.417 C94 +0 1 1 8 0.136 0.282 C94 +0 1 1 10 0.187 0.338 C94 +0 1 1 11 0.209 0.633 C94 +0 1 1 12 0.176 0.386 C94 +0 1 1 15 0.139 0.217 C94 +0 1 1 34 0.236 0.436 C94 +0 1 1 37 0.152 0.260 C94 +0 1 1 39 0.144 0.595 C94 +0 1 1 41 0.122 0.051 C94 +0 1 1 56 0.262 0.451 C94 +0 1 1 68 0.186 0.125 C94 +0 2 1 2 0.282 0.282 C94 +0 2 1 3 0.206 0.022 C94 +0 2 1 5 0.234 0.088 C94 +0 2 1 6 0.183 0.387 C94 +0 2 1 8 0.214 0.363 C94 +0 3 1 5 0.157 0.115 C94 +0 3 1 6 -0.036 0.456 C94 +0 3 1 10 0.038 0.195 C94 +0 5 1 5 0.115 0.115 C94 +0 5 1 6 0.013 0.436 C94 +0 5 1 8 0.027 0.358 C94 +0 5 1 9 0.040 0.418 C94 +0 5 1 10 0.043 0.261 C94 +0 5 1 11 0.003 0.452 C94 +0 5 1 12 -0.018 0.380 C94 +0 5 1 15 0.018 0.255 C94 +0 5 1 18 0.121 0.218 X94 +0 5 1 20 0.069 0.327 C94 +0 5 1 22 0.055 0.267 X94 +0 5 1 34 -0.003 0.342 C94 +0 5 1 37 0.074 0.287 C94 +0 5 1 39 0.092 0.607 C94 +0 5 1 40 0.023 0.335 C94 +0 5 1 41 0.093 0.118 C94 +0 5 1 54 0.016 0.343 C94 +0 5 1 55 0.030 0.397 C94 +0 5 1 56 0.031 0.384 C94 +0 5 1 68 0.041 0.216 C94 +0 6 1 6 0.320 0.320 C94 +0 6 1 37 0.310 0.160 C94 +0 11 1 11 0.586 0.586 C94 +0 12 1 12 0.508 0.508 C94 +0 1 2 1 0.250 0.250 C94 +0 1 2 2 0.203 0.207 C94 +2 1 2 2 0.222 0.269 C94 +2 1 2 3 0.244 0.292 C94 +0 1 2 5 0.215 0.128 C94 +2 1 2 37 0.246 0.260 C94 +1 2 2 2 0.250 0.219 C94 +2 2 2 3 0.155 0.112 C94 +0 2 2 5 0.207 0.157 C94 +1 2 2 5 0.267 0.159 C94 +0 2 2 6 0.118 0.576 C94 +2 2 2 37 0.143 0.172 C94 +0 2 2 40 0.289 0.390 C94 +0 2 2 41 0.191 -0.047 C94 +1 3 2 5 0.264 0.156 C94 +0 5 2 5 0.140 0.140 C94 +0 5 2 6 0.213 0.502 C94 +2 5 2 37 0.153 0.288 C94 +0 5 2 40 0.070 0.463 C94 +0 5 2 41 0.191 0.005 C94 +0 1 3 1 0.358 0.358 C94 +2 1 3 2 0.246 0.409 C94 +2 1 3 3 0.303 0.145 C94 +0 1 3 5 0.321 0.183 C94 +0 1 3 6 0.338 0.732 C94 +0 1 3 7 0.154 0.856 C94 +0 1 3 10 0.223 0.732 C94 +2 1 3 37 0.217 0.207 C94 +1 2 3 5 0.407 0.159 C94 +1 2 3 6 0.429 0.473 C94 +1 2 3 7 0.214 0.794 C94 +1 2 3 9 0.227 0.610 C94 +1 2 3 10 0.298 0.600 C94 +1 3 3 5 0.251 0.133 C94 +1 3 3 6 0.066 0.668 C94 +1 3 3 7 -0.093 0.866 C94 +0 5 3 5 0.126 0.126 C94 +0 5 3 6 0.174 0.734 C94 +0 5 3 7 0.032 0.805 C94 +0 5 3 9 0.037 0.669 C94 +0 5 3 10 0.169 0.619 C94 +0 5 3 40 0.087 0.685 C94 +0 5 3 54 0.098 0.210 C94 +0 6 3 7 0.494 0.578 C94 +4 6 3 20 1.179 0.752 X94 +2 6 3 37 0.350 0.175 C94 +0 7 3 10 0.771 0.353 C94 +0 7 3 20 0.865 -0.181 C94 +2 7 3 37 0.707 0.007 C94 +0 9 3 40 0.680 0.260 C94 +0 10 3 10 1.050 1.050 C94 +4 20 3 20 0.536 0.536 C94 +0 40 3 40 0.482 0.482 C94 +0 1 6 1 0.309 0.309 C94 +0 1 6 2 0.157 0.375 C94 +0 1 6 3 -0.153 0.252 C94 +0 1 6 21 0.256 0.143 C94 +0 1 6 37 0.163 0.375 C94 +0 2 6 3 -0.228 0.052 C94 +0 2 6 29 0.259 0.163 C94 +4 3 6 20 0.456 0.379 X94 +0 3 6 24 0.215 0.064 C94 +0 3 6 37 -0.225 -0.320 C94 +0 8 6 21 0.304 0.055 C94 +0 10 6 21 0.419 0.158 C94 +0 18 6 33 0.309 0.120 X94 +4 20 6 20 0.739 0.739 C94 +0 29 6 37 0.130 0.241 C94 +0 31 6 31 0.227 0.227 X94 +0 1 8 1 0.312 0.312 C94 +0 1 8 6 0.212 0.354 C94 +0 1 8 23 0.309 0.135 C94 +0 6 8 23 0.418 0.020 C94 +4 20 8 20 0.653 0.653 C94 +0 20 8 23 0.128 0.122 C94 +0 23 8 23 0.190 0.190 C94 +0 1 9 3 0.326 0.580 C94 +0 3 9 27 0.464 0.222 C94 +0 1 10 1 0.063 0.063 C94 +0 1 10 3 -0.021 0.340 C94 +0 1 10 6 -0.024 0.374 C94 +0 1 10 28 0.155 -0.051 C94 +0 3 10 3 -0.219 -0.219 C94 +0 3 10 6 0.497 0.513 C94 +0 3 10 28 0.137 0.066 C94 +0 28 10 28 0.081 0.081 C94 +0 1 15 1 0.125 0.125 C94 +0 1 15 15 0.012 0.238 C94 +0 1 15 37 0.048 0.229 C94 +0 1 15 71 0.080 -0.012 C94 +0 15 15 71 0.172 -0.068 C94 +0 37 15 71 0.187 -0.027 C94 +0 71 15 71 0.045 0.045 C94 +0 1 18 1 0.023 0.023 X94 +0 1 18 6 0.003 0.213 X94 +0 1 18 32 -0.091 0.390 X94 +0 1 18 43 -0.008 0.607 X94 +0 6 18 6 0.088 0.088 X94 +0 6 18 32 0.123 0.369 X94 +0 32 18 32 0.404 0.404 X94 +0 32 18 43 0.384 0.281 X94 +0 43 18 43 0.428 0.428 X94 +0 1 20 5 0.290 0.098 C94 +0 1 20 20 0.179 0.004 C94 +0 3 20 5 -0.049 0.171 C94 +4 3 20 20 0.607 0.437 C94 +0 5 20 5 0.182 0.182 C94 +0 5 20 6 0.051 0.312 C94 +0 5 20 8 0.072 0.226 C94 +0 5 20 12 0.014 0.597 C94 +0 5 20 20 0.101 0.079 C94 +0 5 20 30 0.108 0.123 C94 +4 6 20 20 0.823 0.396 C94 +4 8 20 20 0.701 0.369 C94 +0 12 20 20 0.310 0.000 C94 +4 20 20 20 0.283 0.283 C94 +4 20 20 30 0.340 0.529 C94 +0 1 22 5 0.067 0.174 X94 +0 1 22 22 0.199 0.039 X94 +0 5 22 5 0.254 0.254 C94 +0 5 22 22 0.181 0.108 C94 +5 22 22 22 0.000 0.000 C94 +0 5 26 5 -0.121 -0.121 X94 +0 5 30 20 0.251 0.007 C94 +0 5 30 30 0.267 0.054 C94 +4 20 30 30 0.413 0.705 C94 +0 1 34 1 0.202 0.202 C94 +0 1 34 36 0.160 -0.009 C94 +0 36 34 36 0.087 0.087 C94 +0 1 37 37 0.485 0.311 C94 +1 2 37 37 0.321 0.235 C94 +1 3 37 37 0.179 0.217 C94 +0 5 37 37 0.279 0.250 C94 +0 5 37 38 0.267 0.389 C94 +0 5 37 63 0.216 0.434 C94 +0 5 37 64 0.167 0.364 C94 +0 5 37 69 0.273 0.391 C94 +0 6 37 37 0.830 0.339 C94 +0 15 37 37 0.650 0.259 C94 +0 37 37 37 -0.411 -0.411 C94 +0 37 37 38 -0.424 -0.466 C94 +0 37 37 40 0.429 0.901 C94 +0 37 37 63 -0.173 -0.215 C94 +0 37 37 64 -0.229 -0.229 C94 +0 37 37 69 -0.244 -0.555 C94 +0 38 37 38 -0.516 -0.516 C94 +0 37 38 37 -0.342 -0.342 C94 +0 37 38 38 -0.164 -1.130 C94 +0 1 39 63 0.313 0.500 C94 +0 23 39 63 -0.131 0.422 C94 +0 23 39 65 -0.122 0.281 C94 +0 63 39 63 0.469 0.469 C94 +0 63 39 65 0.741 0.506 C94 +0 65 39 65 0.706 0.706 C94 +0 1 40 28 0.238 0.091 C94 +0 1 40 37 0.153 0.590 C94 +0 2 40 28 0.342 0.156 C94 +0 3 40 28 0.228 0.104 C94 +0 28 40 28 0.094 0.094 C94 +0 28 40 37 0.186 0.423 C94 +0 1 41 32 0.503 0.943 C94 +0 2 41 32 0.594 0.969 C94 +0 5 41 32 0.276 0.852 C94 +0 32 41 32 0.652 0.652 C94 +0 18 43 23 0.377 0.057 X94 +0 23 43 23 0.082 0.082 X94 +0 63 44 63 0.591 0.591 C94 +0 63 44 65 0.857 0.978 C94 +0 50 49 50 0.072 0.072 C94 +0 1 54 3 0.192 -0.051 C94 +0 1 54 36 0.240 0.079 C94 +0 3 54 36 0.005 0.127 C94 +0 36 54 36 0.148 0.148 C94 +0 1 55 36 0.189 0.033 C94 +0 1 55 57 0.166 0.211 C94 +0 36 55 36 0.106 0.106 C94 +0 36 55 57 0.093 0.080 C94 +0 1 56 36 0.211 -0.040 C94 +0 1 56 57 0.026 0.386 C94 +0 36 56 36 0.101 0.101 C94 +0 36 56 57 0.108 0.068 C94 +0 5 57 55 0.043 0.420 C94 +0 55 57 55 0.125 0.125 C94 +0 56 57 56 0.431 0.431 C94 +0 58 57 58 0.732 0.732 C94 +0 63 59 63 0.497 0.497 C94 +0 63 59 65 0.723 0.874 C94 +0 5 63 39 0.009 0.654 C94 +0 5 63 44 -0.015 0.446 C94 +0 5 63 59 0.067 0.588 C94 +0 5 63 64 0.055 0.370 C94 +0 5 63 66 0.110 0.464 C94 +0 37 63 39 0.178 0.523 C94 +0 37 63 64 -0.045 0.497 C94 +0 39 63 64 0.422 0.409 C94 +0 39 63 66 0.436 0.525 C94 +0 44 63 64 0.581 0.426 C94 +0 44 63 66 0.542 0.365 C94 +0 59 63 64 0.852 0.332 C94 +0 59 63 66 0.775 0.300 C94 +0 5 64 63 0.086 0.345 C94 +0 5 64 64 0.085 0.369 C94 +0 5 64 65 0.051 0.436 C94 +0 5 64 66 0.113 0.452 C94 +0 37 64 63 0.059 0.299 C94 +0 37 64 64 0.277 0.377 C94 +0 63 64 64 0.206 0.030 C94 +0 63 64 66 0.171 0.078 C94 +0 64 64 65 0.079 0.403 C94 +0 65 64 66 0.406 0.066 C94 +0 39 65 64 0.528 0.644 C94 +0 39 65 66 0.397 0.258 C94 +0 44 65 64 0.816 0.543 C94 +0 59 65 64 1.177 0.594 C94 +0 63 66 64 0.213 -0.173 C94 +0 63 66 66 0.234 0.077 C94 +0 64 66 65 -0.149 0.383 C94 +0 65 66 66 0.199 0.101 C94 +0 1 68 1 0.217 0.217 C94 +0 1 68 23 0.285 0.050 C94 +0 1 68 32 -0.047 0.503 C94 +0 23 68 23 0.145 0.145 C94 +0 23 68 32 -0.182 0.504 C94 +0 32 69 37 1.018 0.418 C94 +0 37 69 37 -0.169 -0.169 C94 +0 31 70 31 0.210 0.210 C94 +0 5 78 78 0.279 0.250 C94 +0 5 78 81 0.083 0.250 C94 +0 78 78 81 -0.398 0.314 C94 +0 5 80 81 -0.101 0.691 C94 +0 81 80 81 0.732 0.732 C94 +0 36 81 78 0.021 0.368 C94 +0 36 81 80 0.018 0.422 C94 +0 78 81 80 0.366 0.419 C94 +$ +10. MMFFDFSB.PAR: This file supplies default parameters for stretch-bend + interactions. +* +* Copyright (c) Merck and Co., Inc., 1994, 1995, 1996 +* All Rights Reserved +* +* MMFF Default Stretch-Bend Parameters +* Row in +* Periodic Table +* IR JR KR F(I_J,K) F(K_J,I) + 0 1 0 0.15 0.15 + 0 1 1 0.10 0.30 + 0 1 2 0.05 0.35 + 0 1 3 0.05 0.35 + 0 1 4 0.05 0.35 + 0 2 0 0.00 0.00 + 0 2 1 0.00 0.15 + 0 2 2 0.00 0.15 + 0 2 3 0.00 0.15 + 0 2 4 0.00 0.15 + 1 1 1 0.30 0.30 + 1 1 2 0.30 0.50 + 1 1 3 0.30 0.50 + 1 1 4 0.30 0.50 + 2 1 2 0.50 0.50 + 2 1 3 0.50 0.50 + 2 1 4 0.50 0.50 + 3 1 3 0.50 0.50 + 3 1 4 0.50 0.50 + 4 1 4 0.50 0.50 + 1 2 1 0.30 0.30 + 1 2 2 0.25 0.25 + 1 2 3 0.25 0.25 + 1 2 4 0.25 0.25 + 2 2 2 0.25 0.25 + 2 2 3 0.25 0.25 + 2 2 4 0.25 0.25 + 3 2 3 0.25 0.25 + 3 2 4 0.25 0.25 + 4 2 4 0.25 0.25 +$ +12. MMFFTOR.PAR: This file supplies parameters for torsion interactions. +* +* Copyright (c) Merck and Co., Inc., 1994, 1995, 1996 +* All Rights Reserved +* +* MMFF TORSION PARAMETERS- Rev: 26-OCT-94 Source: MMFF94 +* C94 - CORE MMFF94 parameter - from fits to conformational energies +* X94 - EXTD MMFF94 parameter - also from fits to conformational E's +* E94 - EXTD MMFF94 parameter - from empirical rule +* #E94 - Adjusted from empirical rule value +* +* atom types V1 V2 V3 Source +0 0 1 1 0 0.000 0.000 0.300 C94 0:*-1-1-* Def +5 0 1 1 0 0.200 -0.800 1.500 C94 5:*-1-1-* Def +0 1 1 1 1 0.103 0.681 0.332 C94 +5 1 1 1 1 0.144 -0.547 1.126 C94 +0 1 1 1 2 -0.295 0.438 0.584 C94 +0 1 1 1 3 0.066 -0.156 0.143 C94 +0 1 1 1 5 0.639 -0.630 0.264 C94 +0 1 1 1 6 -0.688 1.757 0.477 C94 +5 1 1 1 6 0.000 0.000 0.054 C94 +0 1 1 1 8 -1.420 -0.092 1.101 C94 +5 1 1 1 8 0.000 -0.158 0.323 C94 +0 1 1 1 11 0.593 0.662 1.120 C94 +0 1 1 1 12 -0.678 0.417 0.624 C94 +0 1 1 1 15 -0.714 0.698 0.000 C94 +0 1 1 1 34 -0.647 0.550 0.590 C94 +0 2 1 1 5 0.321 -0.411 0.144 C94 +0 3 1 1 3 0.443 0.000 -1.140 C94 +0 3 1 1 5 -0.256 0.058 0.000 C94 +0 3 1 1 6 -0.679 -0.029 0.000 C94 +0 5 1 1 5 0.284 -1.386 0.314 C94 +0 5 1 1 6 -0.654 1.072 0.279 C94 +0 5 1 1 8 -0.744 -1.235 0.337 C94 +0 5 1 1 10 0.000 0.000 0.427 C94 +0 5 1 1 11 0.000 0.516 0.291 C94 +0 5 1 1 12 0.678 -0.602 0.398 C94 +0 5 1 1 15 1.142 -0.644 0.367 C94 +0 5 1 1 25 0.000 0.000 0.295 X94 +0 5 1 1 34 0.692 -0.530 0.278 C94 +0 5 1 1 37 0.000 0.000 0.389 C94 +0 5 1 1 39 0.000 0.000 0.278 C94 +0 5 1 1 41 0.000 0.000 -0.141 C94 +0 5 1 1 56 0.000 0.000 0.324 C94 +0 5 1 1 68 0.000 0.000 0.136 C94 +0 6 1 1 6 0.408 1.397 0.961 C94 +5 6 1 1 6 0.313 -1.035 1.631 C94 +0 8 1 1 8 1.055 0.834 0.000 C94 +0 11 1 1 11 -0.387 -0.543 1.405 C94 +0 12 1 1 12 0.000 0.000 0.893 C94 +0 15 1 1 15 -0.177 0.000 0.049 C94 +0 0 1 2 0 0.000 0.000 0.000 C94 0:*-1-2-* Def +2 0 1 2 0 0.000 0.000 0.000 E94 2:*1-2-* Def +5 0 1 2 0 0.000 0.000 0.000 C94 5:*-1-2-* Def +0 0 1 2 2 0.000 0.000 -0.650 C94 0:*-1-2=2 Def +5 0 1 2 2 0.000 0.000 -0.650 C94 5:*-1-2=2 Def +0 1 1 2 1 0.419 0.296 0.282 C94 +0 1 1 2 2 -0.494 0.274 -0.630 C94 +0 1 1 2 5 0.075 0.000 0.358 C94 +0 2 1 2 2 -0.293 0.115 -0.508 C94 +0 2 1 2 5 0.301 0.104 0.507 C94 +0 3 1 2 1 0.565 -0.554 0.234 C94 +0 3 1 2 2 -0.577 -0.482 -0.427 C94 +0 3 1 2 5 0.082 0.000 0.123 C94 +0 5 1 2 1 0.000 -0.184 0.220 C94 +0 5 1 2 2 0.501 -0.410 -0.535 C94 +2 5 1 2 2 0.000 0.000 0.055 C94 +2 5 1 2 3 0.000 0.000 -0.108 C94 +0 5 1 2 5 -0.523 -0.228 0.208 C94 +2 5 1 2 37 0.000 0.000 0.000 C94 +0 6 1 2 1 -0.467 0.000 0.490 C94 +0 6 1 2 2 0.425 0.168 -0.875 C94 +0 6 1 2 5 0.000 0.136 0.396 C94 +0 8 1 2 1 -0.504 0.371 0.557 C94 +0 8 1 2 2 0.541 0.539 -1.009 C94 +0 8 1 2 5 0.000 0.204 0.464 C94 +0 0 1 3 0 0.000 0.400 0.300 C94 0:*-1-3-* Def +2 0 1 3 0 0.000 0.500 0.350 C94 2:*-1-3-* Def +5 0 1 3 0 0.000 0.000 0.000 E94 5:*1-3-* Def +0 0 1 3 1 0.000 0.000 0.550 C94 0:*-1-3-1 Def +0 0 1 3 5 0.000 0.200 0.700 C94 0:*-1-3-5 Def +0 0 1 3 7 0.000 0.400 0.400 C94 0:*-1-3-7 Def +0 1 1 3 1 0.103 0.177 0.545 C94 +0 1 1 3 5 -0.072 0.316 0.674 C94 +0 1 1 3 6 -0.117 -0.333 0.202 C94 +0 1 1 3 7 0.825 0.139 0.325 C94 +0 1 1 3 10 -0.927 1.112 1.388 C94 +0 2 1 3 5 0.663 -0.167 0.426 C94 +0 2 1 3 7 -0.758 0.112 0.563 C94 +0 5 1 3 1 -0.073 0.085 0.531 C94 +2 5 1 3 2 0.000 0.000 0.115 C94 +2 5 1 3 3 0.000 0.000 0.446 C94 +0 5 1 3 5 -0.822 0.501 1.008 C94 +0 5 1 3 6 0.000 -0.624 0.330 C94 +0 5 1 3 7 0.659 -1.407 0.308 C94 +0 5 1 3 10 -0.412 0.693 0.087 C94 +2 5 1 3 37 0.000 0.000 0.056 C94 +0 5 1 3 43 0.000 1.027 0.360 X94 +0 5 1 3 51 0.000 1.543 0.350 X94 +0 5 1 3 53 0.000 0.501 0.000 X94 +0 5 1 3 74 0.000 0.513 -0.344 X94 +0 5 1 3 75 0.000 0.511 -0.186 X94 +0 6 1 3 6 0.447 0.652 0.318 C94 +0 6 1 3 7 -0.395 0.730 -0.139 C94 +0 10 1 3 7 0.338 2.772 2.145 C94 +0 10 1 3 10 0.548 0.000 1.795 C94 +0 0 1 4 0 0.000 0.000 0.000 C94 0:*-1-4-* Def +0 0 1 6 0 0.000 0.000 0.200 C94 0:*-1-6-* Def +5 0 1 6 0 0.000 -0.200 0.400 C94 5:*-1-6-* Def +0 1 1 6 1 -0.681 0.755 0.755 C94 +5 1 1 6 1 0.000 0.243 -0.596 C94 +0 1 1 6 3 -0.547 0.000 0.320 C94 +0 1 1 6 21 0.000 0.270 0.237 C94 +0 2 1 6 21 0.102 0.460 -0.128 C94 +0 3 1 6 21 -1.652 -1.660 0.283 C94 +0 5 1 6 1 0.571 0.319 0.570 C94 +0 5 1 6 2 0.000 0.000 0.306 C94 +0 5 1 6 3 0.572 0.000 -0.304 C94 +0 5 1 6 21 0.596 -0.276 0.346 C94 +0 5 1 6 25 0.000 0.000 0.061 X94 +0 5 1 6 37 0.000 0.000 0.106 C94 +0 5 1 6 45 0.000 0.000 -0.174 X94 +0 6 1 6 1 0.229 -0.710 0.722 C94 +5 6 1 6 1 0.000 0.000 0.040 C94 +0 6 1 6 21 1.488 -3.401 -0.320 C94 +0 37 1 6 21 0.712 1.320 -0.507 C94 +0 0 1 8 0 0.000 -0.300 0.500 C94 0:*-1-8-* Def +5 0 1 8 0 0.000 0.000 0.297 E94 5:*1-8-* Def +0 1 1 8 1 -0.439 0.786 0.272 C94 +5 1 1 8 1 0.115 -0.390 0.658 C94 +0 1 1 8 6 -0.608 0.339 1.496 C94 +0 1 1 8 23 -0.428 0.323 0.280 C94 +0 2 1 8 23 0.594 -0.409 0.155 C94 +0 5 1 8 1 0.393 -0.385 0.562 C94 +0 5 1 8 6 0.598 -0.158 0.399 C94 +0 5 1 8 23 -0.152 -0.440 0.357 C94 +0 0 1 9 0 0.000 0.000 0.000 C94 0:*-1-9-* Def +5 0 1 9 0 0.000 0.000 0.000 E94 5:*1-9-* Def +0 5 1 9 3 0.204 -0.335 -0.352 C94 +0 5 1 9 53 0.000 0.000 0.097 X94 +0 0 1 10 0 0.000 0.000 0.300 C94 0:*-1-10-* Def +5 0 1 10 0 0.000 0.000 0.000 E94 5:*1-10-* Def +0 0 1 10 3 0.000 0.000 1.000 C94 0:*-1-10-3 Def +0 1 1 10 3 -1.027 0.694 0.948 C94 +0 1 1 10 6 0.159 -0.552 0.198 C94 +0 1 1 10 28 0.552 -0.380 0.326 C94 +0 3 1 10 3 3.100 -2.529 1.494 C94 +0 3 1 10 28 0.079 0.280 0.402 C94 +0 5 1 10 1 0.000 0.000 0.779 C94 +0 5 1 10 3 -2.099 1.363 0.021 C94 +0 5 1 10 6 -0.162 0.832 0.552 C94 +0 5 1 10 28 -0.616 0.000 0.274 C94 +0 0 1 15 0 0.000 0.000 0.400 C94 0:*-1-15-* Def +5 0 1 15 0 0.000 0.000 0.336 E94 5:*1-15-* Def +0 1 1 15 1 -1.047 0.170 0.398 C94 +0 1 1 15 15 -1.438 0.263 0.501 C94 +0 1 1 15 71 -0.376 -0.133 0.288 C94 +0 5 1 15 1 1.143 -0.231 0.447 C94 +0 5 1 15 15 1.555 -0.323 0.456 C94 +0 5 1 15 37 0.000 0.000 0.459 C94 +0 5 1 15 71 0.229 0.203 0.440 C94 +0 0 1 17 0 0.000 0.000 0.350 C94 0:*-1-17-* Def +5 0 1 17 0 0.000 0.000 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0 40 46 0 0.000 3.600 0.000 E94 0:*-40-46-* Def +0 0 40 54 0 0.000 3.600 0.000 E94 0:*-40-54-* Def +2 0 40 54 0 0.000 3.600 0.000 E94 2:*-40-54-* Def +0 0 40 63 0 0.000 3.600 0.000 E94 0:*-40-63-* Def +0 0 40 64 0 0.000 3.600 0.000 E94 0:*-40-64-* Def +0 0 40 78 0 0.000 3.600 0.000 E94 0:*-40-78-* Def +0 0 41 41 0 0.000 1.800 0.000 E94 0:*-41-41-* Def +0 0 41 55 0 0.000 4.800 0.000 E94 0:*-41-55-* Def +0 0 41 62 0 0.000 3.600 0.000 E94 0:*-41-62-* Def +0 0 41 80 0 0.000 1.800 0.000 E94 0:*-41-80-* Def +0 0 43 43 0 0.000 0.000 0.375 E94 0:*-43-43-* Def +0 0 43 45 0 0.000 3.600 0.000 E94 0:*-43-45-* Def +0 0 43 64 0 0.000 3.600 0.000 E94 0:*-43-64-* Def +0 0 44 57 0 0.000 7.000 0.000 C94 0:*-44-57-* Def +0 0 44 63 0 0.000 7.000 0.000 C94 0:*-44-63-* Def +0 0 44 65 0 0.000 7.000 0.000 C94 0:*-44-65-* Def +0 0 44 78 0 0.000 2.846 0.000 E94 0:*-44-78-* Def +0 0 44 80 0 0.000 2.846 0.000 E94 0:*-44-80-* Def +0 0 45 63 0 0.000 1.800 0.000 E94 0:*-45-63-* Def +0 0 45 64 0 0.000 1.800 0.000 E94 0:*-45-64-* Def +0 0 45 78 0 0.000 1.800 0.000 E94 0:*-45-78-* Def +0 0 55 57 0 0.000 10.000 0.000 C94 0:*-55-57-* Def +2 0 55 57 0 0.000 4.800 0.000 E94 2:*-55-57-* Def +5 0 55 57 0 0.000 4.800 0.000 E94 5:*-55-57-* Def +0 1 55 57 5 0.423 12.064 0.090 C94 +0 1 55 57 55 -0.428 12.044 0.000 C94 +0 36 55 57 5 -0.268 8.077 -0.806 C94 +0 36 55 57 55 0.273 8.025 0.692 C94 +0 0 55 62 0 0.000 3.600 0.000 E94 0:*-55-62-* Def +0 0 55 64 0 0.000 4.800 0.000 E94 0:*-55-64-* Def +0 0 55 80 0 0.000 4.800 0.000 E94 0:*-55-80-* Def +0 0 56 57 0 0.000 6.000 0.000 C94 0:*-56-57-* Def +0 1 56 57 56 0.000 6.886 -0.161 C94 +0 36 56 57 56 0.000 4.688 0.107 C94 +0 0 56 63 0 0.000 4.800 0.000 E94 0:*-56-63-* Def +0 0 56 80 0 0.000 4.800 0.000 E94 0:*-56-80-* Def +1 0 57 63 0 0.000 1.800 0.000 E94 1:*-57-63-* Def +1 0 57 64 0 0.000 1.800 0.000 E94 1:*-57-64-* Def +0 0 58 63 0 0.000 6.000 0.000 E94 0:*-58-63-* Def +0 0 58 64 0 0.000 6.000 0.000 E94 0:*-58-64-* Def +0 0 59 63 0 0.000 7.000 0.000 C94 0:*-59-63-* Def +0 0 59 65 0 0.000 7.000 0.000 C94 0:*-59-65-* Def +0 0 59 78 0 0.000 3.600 0.000 E94 0:*-59-78-* Def +0 0 59 80 0 0.000 3.600 0.000 E94 0:*-59-80-* Def +0 0 59 82 0 0.000 3.600 0.000 E94 0:*-59-82-* Def +0 0 62 63 0 0.000 3.600 0.000 E94 0:*-62-63-* Def +0 0 62 64 0 0.000 3.600 0.000 E94 0:*-62-64-* Def +1 0 63 63 0 0.000 1.800 0.000 E94 1:*-63-63-* Def +0 0 63 64 0 0.000 7.000 0.000 C94 0:*-63-64-* Def +0 5 63 64 5 0.000 7.000 0.000 C94 +0 5 63 64 64 0.000 7.000 0.000 C94 +0 39 63 64 5 0.000 7.000 0.000 C94 +0 39 63 64 64 0.000 7.000 0.000 C94 +0 0 63 66 0 0.000 7.000 0.000 C94 0:*-63-66-* Def +0 0 63 78 0 0.000 6.000 0.000 E94 0:*-63-78-* Def +0 0 63 81 0 0.000 6.000 0.000 E94 0:*-63-81-* Def +0 0 64 64 0 0.000 7.000 0.000 C94 0:*-64-64-* Def +1 0 64 64 0 0.000 1.800 0.000 E94 1:*-64-64-* Def +0 5 64 64 5 0.000 7.000 0.000 C94 +0 5 64 64 63 0.000 7.000 0.000 C94 +0 63 64 64 63 0.000 7.000 0.000 C94 +0 0 64 65 0 0.000 7.000 0.000 C94 0:*-64-65-* Def +0 0 64 66 0 0.000 7.000 0.000 C94 0:*-64-66-* Def +0 0 64 78 0 0.000 6.000 0.000 E94 0:*-64-78-* Def +0 0 64 81 0 0.000 6.000 0.000 E94 0:*-64-81-* Def +5 0 64 81 0 0.000 6.000 0.000 E94 5:*-64-81-* Def +0 0 64 82 0 0.000 6.000 0.000 E94 0:*-64-82-* Def +0 0 65 66 0 0.000 7.000 0.000 C94 0:*-65-66-* Def +0 0 65 78 0 0.000 6.000 0.000 E94 0:*-65-78-* Def +0 0 65 81 0 0.000 6.000 0.000 E94 0:*-65-81-* Def +0 0 65 82 0 0.000 6.000 0.000 E94 0:*-65-82-* Def +0 0 66 66 0 0.000 7.000 0.000 C94 0:*-66-66-* Def +0 0 66 78 0 0.000 6.000 0.000 E94 0:*-66-78-* Def +0 0 66 81 0 0.000 6.000 0.000 E94 0:*-66-81-* Def +0 0 67 67 0 0.000 12.000 0.000 E94 0:*-67-67-* Def +5 0 67 67 0 0.000 12.000 0.000 E94 5:*-67-67-* Def +0 0 76 76 0 0.000 3.600 0.000 E94 0:*-76-76-* Def +0 0 76 78 0 0.000 3.600 0.000 E94 0:*-76-78-* Def +0 0 78 78 0 0.000 7.000 0.000 C94 0:*-78-78-* Def +0 0 78 79 0 0.000 6.000 0.000 E94 0:*-78-79-* Def +0 0 78 81 0 0.000 4.000 0.000 C94 0:*-78-81-* Def +0 0 79 79 0 0.000 6.000 0.000 E94 0:*-79-79-* Def +0 0 79 81 0 0.000 6.000 0.000 E94 0:*-79-81-* Def +0 0 80 81 0 0.000 4.000 0.000 C94 0:*-80-81-* Def +$ +13. MMFFVDW.PAR: This file supplies parameters for van der Waals interactions. +* +* Copyright (c) Merck and Co., Inc., 1994, 1995, 1996 +* All Rights Reserved +* +* E94 - From empirical rule (JACS 1992, 114, 7827) +* C94 - Adjusted in fit to HF/6-31G* dimer energies and geometries +* X94 - Chosen in the extension of the paratererization for MMFF94 +* by analogy to other, similar atom types or, for ions, by +* fitting to atomic radii (and sometimes to association energies +* for hydrates) +* +* power B Beta DARAD DAEPS +*= 0 || (flags & 4) == 4); +var haveFixed = ((flags & 2) == 2); var val; this.setEnergyUnits (); if (steps == 2147483647) { @@ -167,25 +170,14 @@ JU.BSUtil.andNot (this.bsTaint, bsFixed); this.vwr.ms.setTaintedAtoms (this.bsTaint, 2); }if (bsFixed != null) this.bsFixed = bsFixed; this.setAtomPositions (); -if (this.constraints != null) { -for (var i = this.constraints.size (); --i >= 0; ) { -var constraint = this.constraints.get (i); -var aList = constraint.indexes; -var minList = constraint.minList; -var nAtoms = aList[0] = Math.abs (aList[0]); -for (var j = 1; j <= nAtoms; j++) { -if (steps <= 0 || !this.bsAtoms.get (aList[j])) { -aList[0] = -nAtoms; -break; -}minList[j - 1] = this.atomMap[aList[j]]; -} -} -}this.pFF.setConstraints (this); +if (this.constraints != null) for (var i = this.constraints.size (); --i >= 0; ) this.constraints.get (i).set (steps, this.bsAtoms, this.atomMap); + +this.pFF.setConstraints (this); if (steps <= 0) this.getEnergyOnly (); else if (this.isSilent || !this.vwr.useMinimizationThread ()) this.minimizeWithoutThread (); else this.setMinimizationOn (true); return true; -}, "~N,~N,JU.BS,JU.BS,~B,~B,~S"); +}, "~N,~N,JU.BS,JU.BS,~N,~S"); Clazz.defineMethod (c$, "setEnergyUnits", function () { var s = this.vwr.g.energyUnits; @@ -222,7 +214,7 @@ Clazz.defineMethod (c$, "setModel", function (bsElements) { if (!this.pFF.setModel (bsElements, this.elemnoMax)) { JU.Logger.error (J.i18n.GT.o (J.i18n.GT.$ ("could not setup force field {0}"), this.ff)); -if (this.ff.equals ("MMFF")) { +if (this.ff.startsWith ("MMFF")) { this.getForceField ("UFF"); return this.setModel (bsElements); }return false; @@ -336,16 +328,14 @@ JU.Logger.info (this.minTorsions.length + " torsions"); Clazz.defineMethod (c$, "getForceField", function (ff) { if (ff.startsWith ("MMFF")) ff = "MMFF"; -if (this.pFF == null || !ff.equals (this.ff)) { -if (ff.equals ("UFF")) { -this.pFF = new JM.FF.ForceFieldUFF (this); -} else if (ff.equals ("MMFF")) { -this.pFF = new JM.FF.ForceFieldMMFF (this); +if (this.pFF == null || !ff.equals (this.ff) || (this.pFF.name.indexOf ("2D") >= 0) != this.isQuick) { +if (ff.equals ("MMFF")) { +this.pFF = new JM.FF.ForceFieldMMFF (this, this.isQuick); } else { -this.pFF = new JM.FF.ForceFieldUFF (this); +this.pFF = new JM.FF.ForceFieldUFF (this, this.isQuick); ff = "UFF"; }this.ff = ff; -this.vwr.setStringProperty ("_minimizationForceField", ff); +if (!this.isQuick) this.vwr.setStringProperty ("_minimizationForceField", ff); }return this.pFF; }, "~S"); Clazz.defineMethod (c$, "minimizationOn", @@ -486,7 +476,7 @@ if (this.isSilent) JU.Logger.info (msg); }, "~S,~B"); Clazz.defineMethod (c$, "calculatePartialCharges", function (ms, bsAtoms, bsReport) { -var ff = new JM.FF.ForceFieldMMFF (this); +var ff = new JM.FF.ForceFieldMMFF (this, false); ff.setArrays (ms.at, bsAtoms, ms.bo, ms.bondCount, true, true); this.vwr.setAtomProperty (bsAtoms, 1086326785, 0, 0, null, null, ff.getAtomTypeDescriptions ()); this.vwr.setAtomProperty (bsReport == null ? bsAtoms : bsReport, 1111492619, 0, 0, null, ff.getPartialCharges (), null); diff --git a/qmpy/web/static/js/jsmol/j2s/JM/Model.js b/qmpy/web/static/js/jsmol/j2s/JM/Model.js index 0e610c80..ae344ece 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/Model.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/Model.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JM"); -Clazz.load (["JU.BS", "$.SB"], "JM.Model", ["java.util.Hashtable", "JU.AU", "JU.BSUtil"], function () { +Clazz.load (["JU.BS", "$.SB"], "JM.Model", ["java.util.Hashtable", "JU.AU", "JU.BSUtil", "JV.FileManager"], function () { c$ = Clazz.decorateAsClass (function () { this.ms = null; this.mat4 = null; @@ -46,6 +46,7 @@ this.jmolFrameType = null; this.pdbID = null; this.bsCheck = null; this.hasChirality = false; +this.isOrderly = true; Clazz.instantialize (this, arguments); }, JM, "Model"); Clazz.prepareFields (c$, function () { @@ -66,10 +67,13 @@ this.trajectoryBaseIndex = (this.isTrajectory ? trajectoryBaseIndex : modelIndex if (auxiliaryInfo == null) { auxiliaryInfo = new java.util.Hashtable (); }this.auxiliaryInfo = auxiliaryInfo; -if (auxiliaryInfo.containsKey ("biosymmetryCount")) { -this.biosymmetryCount = (auxiliaryInfo.get ("biosymmetryCount")).intValue (); +var bc = (auxiliaryInfo.get ("biosymmetryCount")); +if (bc != null) { +this.biosymmetryCount = bc.intValue (); this.biosymmetry = auxiliaryInfo.get ("biosymmetry"); -}this.properties = properties; +}var fname = auxiliaryInfo.get ("fileName"); +if (fname != null) auxiliaryInfo.put ("fileName", JV.FileManager.stripTypePrefix (fname)); +this.properties = properties; if (jmolData == null) { this.jmolFrameType = "modelSet"; } else { @@ -82,15 +86,16 @@ this.jmolFrameType = (jmolData.indexOf ("ramachandran") >= 0 ? "ramachandran" : }, "JM.ModelSet,~N,~N,~S,java.util.Properties,java.util.Map"); Clazz.defineMethod (c$, "getTrueAtomCount", function () { -return this.bsAtoms.cardinality () - this.bsAtomsDeleted.cardinality (); +return JU.BSUtil.andNot (this.bsAtoms, this.bsAtomsDeleted).cardinality (); }); Clazz.defineMethod (c$, "isContainedIn", function (bs) { if (this.bsCheck == null) this.bsCheck = new JU.BS (); +this.bsCheck.clearAll (); this.bsCheck.or (bs); -this.bsCheck.and (this.bsAtoms); -this.bsCheck.andNot (this.bsAtomsDeleted); -return (this.bsCheck.cardinality () == this.getTrueAtomCount ()); +var bsa = JU.BSUtil.andNot (this.bsAtoms, this.bsAtomsDeleted); +this.bsCheck.and (bsa); +return this.bsCheck.equals (bsa); }, "JU.BS"); Clazz.defineMethod (c$, "resetBoundCount", function () { diff --git a/qmpy/web/static/js/jsmol/j2s/JM/ModelLoader.js b/qmpy/web/static/js/jsmol/j2s/JM/ModelLoader.js index 2e814772..ff850472 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/ModelLoader.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/ModelLoader.js @@ -13,6 +13,7 @@ this.specialAtomIndexes = null; this.someModelsHaveUnitcells = false; this.someModelsAreModulated = false; this.is2D = false; +this.isMOL2D = false; this.isMutate = false; this.isTrajectory = false; this.isPyMOLsession = false; @@ -47,10 +48,13 @@ this.adapterTrajectoryCount = 0; this.noAutoBond = false; this.modulationOn = false; this.htGroup1 = null; +this.appendToModelIndex = null; this.$mergeGroups = null; this.iChain = 0; this.vStereo = null; +this.lastModel = -1; this.structuresDefinedInFile = null; +this.stereodir = 1; Clazz.instantialize (this, arguments); }, JM, "ModelLoader"); Clazz.prepareFields (c$, function () { @@ -154,7 +158,8 @@ Clazz.defineMethod (c$, "createModelSet", var nAtoms = (adapter == null ? 0 : adapter.getAtomCount (asc)); if (nAtoms > 0) JU.Logger.info ("reading " + nAtoms + " atoms"); this.adapterModelCount = (adapter == null ? 1 : adapter.getAtomSetCount (asc)); -this.appendNew = !this.isMutate && (!this.merging || adapter == null || this.adapterModelCount > 1 || this.isTrajectory || this.vwr.getBoolean (603979792)); +this.appendToModelIndex = (this.ms.msInfo == null ? null : (this.ms.msInfo.get ("appendToModelIndex"))); +this.appendNew = !this.isMutate && (!this.merging || adapter == null || this.adapterModelCount > 1 || this.isTrajectory || this.vwr.getBoolean (603979792) && this.appendToModelIndex == null); this.htAtomMap.clear (); this.chainOf = new Array (32); this.group3Of = new Array (32); @@ -203,7 +208,7 @@ var atoms = this.ms.at; for (var i = this.baseAtomIndex; i < ac; i++) atoms[i].setMadAtom (this.vwr, rd); var models = this.ms.am; -for (var i = models[this.baseModelIndex].firstAtomIndex; i < ac; i++) models[atoms[i].mi].bsAtoms.set (i); +for (var i = models[this.baseModelIndex].firstAtomIndex; i < ac; i++) if (atoms[i] != null) models[atoms[i].mi].bsAtoms.set (i); this.freeze (); this.finalizeShapes (); @@ -286,8 +291,8 @@ if (this.appendNew) { this.baseModelIndex = this.baseModelCount; this.ms.mc = this.baseModelCount + this.adapterModelCount; } else { -this.baseModelIndex = this.vwr.am.cmi; -if (this.baseModelIndex < 0) this.baseModelIndex = this.baseModelCount - 1; +this.baseModelIndex = (this.appendToModelIndex == null ? this.vwr.am.cmi : this.appendToModelIndex.intValue ()); +if (this.baseModelIndex < 0 || this.baseModelIndex >= this.baseModelCount) this.baseModelIndex = this.baseModelCount - 1; this.ms.mc = this.baseModelCount; }this.ms.ac = this.baseAtomIndex = this.modelSet0.ac; this.ms.bondCount = this.modelSet0.bondCount; @@ -345,7 +350,7 @@ this.vwr.setStringProperty ("_fileType", modelAuxiliaryInfo.get ("fileType")); if (modelName == null) modelName = (this.jmolData != null && this.jmolData.indexOf (";") > 2 ? this.jmolData.substring (this.jmolData.indexOf (":") + 2, this.jmolData.indexOf (";")) : this.appendNew ? "" + (modelNumber % 1000000) : ""); this.setModelNameNumberProperties (ipt, iTrajectory, modelName, modelNumber, modelProperties, modelAuxiliaryInfo, this.jmolData); } -var m = this.ms.am[this.baseModelIndex]; +var m = this.ms.am[this.appendToModelIndex == null ? this.baseModelIndex : this.ms.mc - 1]; this.vwr.setSmilesString (this.ms.msInfo.get ("smilesString")); var loadState = this.ms.msInfo.remove ("loadState"); var loadScript = this.ms.msInfo.remove ("loadScript"); @@ -358,8 +363,10 @@ if (pt < 0 || pt != m.loadState.lastIndexOf (lines[i])) sb.append (lines[i]).app } m.loadState += m.loadScript.toString () + sb.toString (); m.loadScript = new JU.SB (); -if (loadScript.indexOf ("load append ") >= 0) loadScript.append ("; set appendNew true"); -m.loadScript.append (" ").appendSB (loadScript).append (";\n"); +if (loadScript.indexOf ("load append ") >= 0 || loadScript.indexOf ("data \"append ") >= 0) { +loadScript.insert (0, ";var anew = appendNew;"); +loadScript.append (";set appendNew anew"); +}m.loadScript.append (" ").appendSB (loadScript).append (";\n"); }if (this.isTrajectory) { var n = (this.ms.mc - ipt + 1); JU.Logger.info (n + " trajectory steps read"); @@ -473,8 +480,9 @@ this.iModel = modelIndex; this.model = models[modelIndex]; this.currentChainID = 2147483647; this.isNewChain = true; -models[modelIndex].bsAtoms.clearAll (); -isPdbThisModel = models[modelIndex].isBioModel; +this.model.bsAtoms.clearAll (); +this.model.isOrderly = (this.appendToModelIndex == null); +isPdbThisModel = this.model.isBioModel; iLast = modelIndex; addH = isPdbThisModel && this.doAddHydrogens; if (this.jbr != null) this.jbr.setHaveHsAlready (false); @@ -485,15 +493,16 @@ var isotope = iterAtom.getElementNumber (); if (addH && JU.Elements.getElementNumber (isotope) == 1) this.jbr.setHaveHsAlready (true); var name = iterAtom.getAtomName (); var charge = (addH ? this.getPdbCharge (group3, name) : iterAtom.getFormalCharge ()); -this.addAtom (isPdbThisModel, iterAtom.getSymmetry (), iterAtom.getAtomSite (), iterAtom.getUniqueID (), isotope, name, charge, iterAtom.getPartialCharge (), iterAtom.getTensors (), iterAtom.getOccupancy (), iterAtom.getBfactor (), iterAtom.getXYZ (), iterAtom.getIsHetero (), iterAtom.getSerial (), iterAtom.getSeqID (), group3, iterAtom.getVib (), iterAtom.getAltLoc (), iterAtom.getRadius ()); +this.addAtom (isPdbThisModel, iterAtom.getSymmetry (), iterAtom.getAtomSite (), iterAtom.getUniqueID (), isotope, name, charge, iterAtom.getPartialCharge (), iterAtom.getTensors (), iterAtom.getOccupancy (), iterAtom.getBfactor (), iterAtom.getXYZ (), iterAtom.getIsHetero (), iterAtom.getSerial (), iterAtom.getSeqID (), group3, iterAtom.getVib (), iterAtom.getAltLoc (), iterAtom.getRadius (), iterAtom.getBondRadius ()); } if (this.groupCount > 0 && addH) { this.jbr.addImplicitHydrogenAtoms (adapter, this.groupCount - 1, this.isNewChain && !isLegacyHAddition ? 1 : 0); }iLast = -1; var vdwtypeLast = null; var atoms = this.ms.at; +models[0].firstAtomIndex = 0; for (var i = 0; i < this.ms.ac; i++) { -if (atoms[i].mi != iLast) { +if (atoms[i] != null && atoms[i].mi > iLast) { iLast = atoms[i].mi; models[iLast].firstAtomIndex = i; var vdwtype = this.ms.getDefaultVdwType (iLast); @@ -533,7 +542,7 @@ Clazz.defineMethod (c$, "getPdbCharge", return (group3.equals ("ARG") && name.equals ("NH1") || group3.equals ("LYS") && name.equals ("NZ") || group3.equals ("HIS") && name.equals ("ND1") ? 1 : 0); }, "~S,~S"); Clazz.defineMethod (c$, "addAtom", - function (isPDB, atomSymmetry, atomSite, atomUid, atomicAndIsotopeNumber, atomName, formalCharge, partialCharge, tensors, occupancy, bfactor, xyz, isHetero, atomSerial, atomSeqID, group3, vib, alternateLocationID, radius) { + function (isPDB, atomSymmetry, atomSite, atomUid, atomicAndIsotopeNumber, atomName, formalCharge, partialCharge, tensors, occupancy, bfactor, xyz, isHetero, atomSerial, atomSeqID, group3, vib, alternateLocationID, radius, bondRadius) { var specialAtomID = 0; var atomType = null; if (atomName != null) { @@ -545,10 +554,10 @@ atomName = atomName.substring (0, i); if (atomName.indexOf ('*') >= 0) atomName = atomName.$replace ('*', '\''); specialAtomID = this.vwr.getJBR ().lookupSpecialAtomID (atomName); if (specialAtomID == 2 && "CA".equalsIgnoreCase (group3)) specialAtomID = 0; -}}var atom = this.ms.addAtom (this.iModel, this.nullGroup, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry); +}}var atom = this.ms.addAtom (this.iModel, this.nullGroup, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry, bondRadius); atom.altloc = alternateLocationID; this.htAtomMap.put (atomUid, atom); -}, "~B,JU.BS,~N,~O,~N,~S,~N,~N,JU.Lst,~N,~N,JU.P3,~B,~N,~N,~S,JU.V3,~S,~N"); +}, "~B,JU.BS,~N,~O,~N,~S,~N,~N,JU.Lst,~N,~N,JU.P3,~B,~N,~N,~S,JU.V3,~S,~N,~N"); Clazz.defineMethod (c$, "checkNewGroup", function (adapter, chainID, group3, groupSequenceNumber, groupInsertionCode, addH, isLegacyHAddition) { var group3i = (group3 == null ? null : group3.intern ()); @@ -622,7 +631,12 @@ var isNear = (order == 1025); var isFar = (order == 1041); var bond; if (isNear || isFar) { -bond = this.ms.bondMutually (atom1, atom2, (this.is2D ? order : 1), this.ms.getDefaultMadFromOrder (1), 0); +var m = atom1.getModelIndex (); +if (m != this.lastModel) { +this.lastModel = m; +var info = this.ms.getModelAuxiliaryInfo (m); +this.isMOL2D = (info != null && "2D".equals (info.get ("dimension"))); +}bond = this.ms.bondMutually (atom1, atom2, (this.isMOL2D ? order : 1), this.ms.getDefaultMadFromOrder (1), 0); if (this.vStereo == null) { this.vStereo = new JU.Lst (); }this.vStereo.addLast (bond); @@ -683,16 +697,18 @@ for (var imodel = this.baseModelIndex; imodel < this.ms.mc; imodel++) if (this.m }}); Clazz.defineMethod (c$, "initializeBonding", function () { -var bsExclude = (this.ms.getInfoM ("someModelsHaveCONECT") == null ? null : new JU.BS ()); -if (bsExclude != null) this.ms.setPdbConectBonding (this.baseAtomIndex, this.baseModelIndex, bsExclude); +var modelCount = this.ms.mc; +var models = this.ms.am; var modelAtomCount = 0; -var symmetryAlreadyAppliedToBonds = this.vwr.getBoolean (603979794); +var bsExclude = this.ms.getInfoM ("bsExcludeBonding"); +if (bsExclude == null) { +bsExclude = (this.ms.getInfoM ("someModelsHaveCONECT") == null ? null : new JU.BS ()); +if (bsExclude != null) this.ms.setPdbConectBonding (this.baseAtomIndex, this.baseModelIndex, bsExclude); +}var symmetryAlreadyAppliedToBonds = this.vwr.getBoolean (603979794); var doAutoBond = this.vwr.getBoolean (603979798); var forceAutoBond = this.vwr.getBoolean (603979846); var bs = null; var autoBonding = false; -var modelCount = this.ms.mc; -var models = this.ms.am; if (!this.noAutoBond) for (var i = this.baseModelIndex; i < modelCount; i++) { modelAtomCount = models[i].bsAtoms.cardinality (); var modelBondCount = this.ms.getInfoI (i, "initialBondCount"); @@ -797,14 +813,33 @@ this.ms.elementsPresent = new Array (this.ms.mc); for (var i = 0; i < this.ms.mc; i++) this.ms.elementsPresent[i] = JU.BS.newN (64); for (var i = this.ms.ac; --i >= 0; ) { -var n = this.ms.at[i].getAtomicAndIsotopeNumber (); +var a = this.ms.at[i]; +if (a == null) continue; +var n = a.getAtomicAndIsotopeNumber (); if (n >= JU.Elements.elementNumberMax) n = JU.Elements.elementNumberMax + JU.Elements.altElementIndexFromNumber (n); -this.ms.elementsPresent[this.ms.at[i].mi].set (n); +this.ms.elementsPresent[a.mi].set (n); } }); Clazz.defineMethod (c$, "applyStereochemistry", function () { -this.set2dZ (this.baseAtomIndex, this.ms.ac); +this.set2DLengths (this.baseAtomIndex, this.ms.ac); +var v = new JU.V3 (); +if (this.vStereo != null) { +out : for (var i = this.vStereo.size (); --i >= 0; ) { +var b = this.vStereo.get (i); +var a1 = b.atom1; +var bonds = a1.bonds; +for (var j = a1.getBondCount (); --j >= 0; ) { +var b2 = bonds[j]; +if (b2 === b) continue; +var a2 = b2.getOtherAtom (a1); +v.sub2 (a2, a1); +if (Math.abs (v.x) < 0.1) { +if ((b.order == 1025) == (v.y < 0)) this.stereodir = -1; +break out; +}} +} +}this.set2dZ (this.baseAtomIndex, this.ms.ac, v); if (this.vStereo != null) { var bsToTest = new JU.BS (); bsToTest.setBits (this.baseAtomIndex, this.ms.ac); @@ -823,32 +858,53 @@ b.atom2.y = (b.atom1.y + b.atom2.y) / 2; this.vStereo = null; }this.is2D = false; }); -Clazz.defineMethod (c$, "set2dZ", +Clazz.defineMethod (c$, "set2DLengths", function (iatom1, iatom2) { +var scaling = 0; +var n = 0; +for (var i = iatom1; i < iatom2; i++) { +var a = this.ms.at[i]; +var bonds = a.bonds; +if (bonds == null) continue; +for (var j = bonds.length; --j >= 0; ) { +if (bonds[j] == null) continue; +var b = bonds[j].getOtherAtom (a); +if (b.getAtomNumber () != 1 && b.getIndex () > i) { +scaling += b.distance (a); +n++; +}} +} +if (n == 0) return; +scaling = 1.45 / (scaling / n); +for (var i = iatom1; i < iatom2; i++) { +this.ms.at[i].scale (scaling); +} +}, "~N,~N"); +Clazz.defineMethod (c$, "set2dZ", + function (iatom1, iatom2, v) { var atomlist = JU.BS.newN (iatom2); var bsBranch = new JU.BS (); -var v = new JU.V3 (); var v0 = JU.V3.new3 (0, 1, 0); var v1 = new JU.V3 (); var bs0 = new JU.BS (); bs0.setBits (iatom1, iatom2); for (var i = iatom1; i < iatom2; i++) if (!atomlist.get (i) && !bsBranch.get (i)) { -bsBranch = this.getBranch2dZ (i, -1, bs0, bsBranch, v, v0, v1); +bsBranch = this.getBranch2dZ (i, -1, bs0, bsBranch, v, v0, v1, this.stereodir); atomlist.or (bsBranch); } -}, "~N,~N"); +}, "~N,~N,JU.V3"); Clazz.defineMethod (c$, "getBranch2dZ", - function (atomIndex, atomIndexNot, bs0, bsBranch, v, v0, v1) { + function (atomIndex, atomIndexNot, bs0, bsBranch, v, v0, v1, dir) { var bs = JU.BS.newN (this.ms.ac); if (atomIndex < 0) return bs; var bsToTest = new JU.BS (); bsToTest.or (bs0); if (atomIndexNot >= 0) bsToTest.clear (atomIndexNot); -JM.ModelLoader.setBranch2dZ (this.ms.at[atomIndex], bs, bsToTest, v, v0, v1); +JM.ModelLoader.setBranch2dZ (this.ms.at[atomIndex], bs, bsToTest, v, v0, v1, dir); return bs; -}, "~N,~N,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3"); +}, "~N,~N,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3,~N"); c$.setBranch2dZ = Clazz.defineMethod (c$, "setBranch2dZ", - function (atom, bs, bsToTest, v, v0, v1) { + function (atom, bs, bsToTest, v, v0, v1, dir) { var atomIndex = atom.i; if (!bsToTest.get (atomIndex)) return; bsToTest.clear (atomIndex); @@ -858,19 +914,20 @@ for (var i = atom.bonds.length; --i >= 0; ) { var bond = atom.bonds[i]; if (bond.isHydrogen ()) continue; var atom2 = bond.getOtherAtom (atom); -JM.ModelLoader.setAtom2dZ (atom, atom2, v, v0, v1); -JM.ModelLoader.setBranch2dZ (atom2, bs, bsToTest, v, v0, v1); +JM.ModelLoader.setAtom2dZ (atom, atom2, v, v0, v1, dir); +JM.ModelLoader.setBranch2dZ (atom2, bs, bsToTest, v, v0, v1, dir); } -}, "JM.Atom,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3"); +}, "JM.Atom,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3,~N"); c$.setAtom2dZ = Clazz.defineMethod (c$, "setAtom2dZ", - function (atomRef, atom2, v, v0, v1) { + function (atomRef, atom2, v, v0, v1, dir) { v.sub2 (atom2, atomRef); v.z = 0; v.normalize (); v1.cross (v0, v); var theta = Math.acos (v.dot (v0)); -atom2.z = atomRef.z + (0.8 * Math.sin (4 * theta)); -}, "JM.Atom,JM.Atom,JU.V3,JU.V3,JU.V3"); +var f = (0.4 * -dir * Math.sin (4 * theta)); +atom2.z = atomRef.z + f; +}, "JM.Atom,JM.Atom,JU.V3,JU.V3,JU.V3,~N"); Clazz.defineMethod (c$, "finalizeShapes", function () { this.ms.sm = this.vwr.shm; diff --git a/qmpy/web/static/js/jsmol/j2s/JM/ModelSet.js b/qmpy/web/static/js/jsmol/j2s/JM/ModelSet.js index dcd3c146..2c0d3564 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/ModelSet.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/ModelSet.js @@ -291,8 +291,13 @@ haveVibration = false; pointGroup = null; } else { pts = this.at; -}}if (type != null && type.indexOf (":") >= 0) type = type.substring (0, type.indexOf (":")); -pointGroup = symmetry.setPointGroup (pointGroup, center, pts, bs, haveVibration, (isPoints ? 0 : this.vwr.getFloat (570425382)), this.vwr.getFloat (570425384), localEnvOnly); +}}var tp; +if (type != null && (tp = type.indexOf (":")) >= 0) type = type.substring (0, tp); +if (type != null && (tp = type.indexOf (".")) >= 0) { +index = JU.PT.parseInt (type.substring (tp + 1)); +if (index < 0) index = 0; +type = type.substring (0, tp); +}pointGroup = symmetry.setPointGroup (pointGroup, center, pts, bs, haveVibration, (isPoints ? 0 : this.vwr.getFloat (570425382)), this.vwr.getFloat (570425384), localEnvOnly); if (!isPolyhedron && !isPoints) this.pointGroup = pointGroup; if (!doAll && !asInfo) return pointGroup.getPointGroupName (); var ret = pointGroup.getPointGroupInfo (modelIndex, id, asInfo, type, index, scale); @@ -390,16 +395,30 @@ bsDeleted = this.getModelAtomBitSetIncludingDeleted (-1, true); this.vwr.zap (true, false, false); return bsDeleted; }this.validateBspf (false); -var newModels = new Array (this.mc - nModelsDeleted); -var oldModels = this.am; bsDeleted = new JU.BS (); -for (var i = 0, mpt = 0; i < this.mc; i++) if (bsModels.get (i)) { -this.getAtomCountInModel (i); +var allOrderly = true; +var isOneOfSeveral = false; +var files = new JU.BS (); +for (var i = 0; i < this.mc; i++) { +var m = this.am[i]; +allOrderly = new Boolean (allOrderly & m.isOrderly).valueOf (); +if (bsModels.get (i)) { +if (m.fileIndex >= 0) files.set (m.fileIndex); bsDeleted.or (this.getModelAtomBitSetIncludingDeleted (i, false)); } else { -this.am[i].modelIndex = mpt; -newModels[mpt++] = this.am[i]; -} +if (m.fileIndex >= 0 && files.get (m.fileIndex)) isOneOfSeveral = true; +}} +if (!allOrderly || isOneOfSeveral) { +this.vwr.deleteAtoms (bsDeleted, false); +return null; +}var newModels = new Array (this.mc - nModelsDeleted); +var oldModels = this.am; +for (var i = 0, mpt = 0; i < this.mc; i++) { +if (!bsModels.get (i)) { +var m = this.am[i]; +m.modelIndex = mpt; +newModels[mpt++] = m; +}} this.am = newModels; var oldModelCount = this.mc; var bsBonds = this.getBondsForSelectedAtoms (bsDeleted, true); @@ -408,12 +427,15 @@ for (var i = 0, mpt = 0; i < oldModelCount; i++) { if (!bsModels.get (i)) { mpt++; continue; -}var nAtoms = oldModels[i].act; +}var old = oldModels[i]; +var nAtoms = old.act; if (nAtoms == 0) continue; -var bsModelAtoms = oldModels[i].bsAtoms; -var firstAtomIndex = oldModels[i].firstAtomIndex; +var bsModelAtoms = old.bsAtoms; +var firstAtomIndex = old.firstAtomIndex; JU.BSUtil.deleteBits (this.bsSymmetry, bsModelAtoms); -this.deleteModel (mpt, firstAtomIndex, nAtoms, bsModelAtoms, bsBonds); +this.deleteModel (mpt, bsModelAtoms, bsBonds); +this.deleteModelAtoms (firstAtomIndex, nAtoms, bsModelAtoms); +this.vwr.deleteModelAtoms (mpt, firstAtomIndex, nAtoms, bsModelAtoms); for (var j = oldModelCount; --j > i; ) oldModels[j].fixIndices (mpt, nAtoms, bsModelAtoms); this.vwr.shm.deleteShapeAtoms ( Clazz.newArray (-1, [newModels, this.at, Clazz.newIntArray (-1, [mpt, firstAtomIndex, nAtoms])]), bsModelAtoms); @@ -433,6 +455,7 @@ return bsDeleted; }, "JU.BS"); Clazz.defineMethod (c$, "resetMolecules", function () { +this.bsAll = null; this.molecules = null; this.moleculeCount = 0; this.resetChirality (); @@ -443,12 +466,13 @@ if (this.haveChirality) { var modelIndex = -1; for (var i = this.ac; --i >= 0; ) { var a = this.at[i]; +if (a == null) continue; a.setCIPChirality (0); -if (a.mi != modelIndex) this.am[modelIndex = a.mi].hasChirality = false; +if (a.mi != modelIndex && a.mi < this.am.length) this.am[modelIndex = a.mi].hasChirality = false; } }}); Clazz.defineMethod (c$, "deleteModel", - function (modelIndex, firstAtomIndex, nAtoms, bsModelAtoms, bsBonds) { + function (modelIndex, bsModelAtoms, bsBonds) { if (modelIndex < 0) { return; }this.modelNumbers = JU.AU.deleteElements (this.modelNumbers, modelIndex, 1); @@ -474,9 +498,7 @@ this.unitCells = JU.AU.deleteElements (this.unitCells, modelIndex, 1); if (!this.stateScripts.get (i).deleteAtoms (modelIndex, bsBonds, bsModelAtoms)) { this.stateScripts.removeItemAt (i); }} -this.deleteModelAtoms (firstAtomIndex, nAtoms, bsModelAtoms); -this.vwr.deleteModelAtoms (modelIndex, firstAtomIndex, nAtoms, bsModelAtoms); -}, "~N,~N,~N,JU.BS,JU.BS"); +}, "~N,JU.BS,JU.BS"); Clazz.defineMethod (c$, "setAtomProperty", function (bs, tok, iValue, fValue, sValue, values, list) { switch (tok) { @@ -538,7 +560,7 @@ var mad = this.getDefaultMadFromOrder (1); this.am[modelIndex].resetDSSR (false); for (var i = 0, n = this.am[modelIndex].act + 1; i < vConnections.size (); i++, n++) { var atom1 = vConnections.get (i); -var atom2 = this.addAtom (modelIndex, atom1.group, 1, "H" + n, null, n, atom1.getSeqID (), n, pts[i], NaN, null, 0, 0, 100, NaN, null, false, 0, null); +var atom2 = this.addAtom (modelIndex, atom1.group, 1, "H" + n, null, n, atom1.getSeqID (), n, pts[i], NaN, null, 0, 0, 100, NaN, null, false, 0, null, NaN); atom2.setMadAtom (this.vwr, rd); bs.set (atom2.i); this.bondAtoms (atom1, atom2, 1, mad, null, 0, false, false); @@ -676,6 +698,7 @@ var bsModels = this.vwr.getVisibleFramesBitSet (); var bs = new JU.BS (); for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; if (!bsModels.get (atom.mi)) i = this.am[atom.mi].firstAtomIndex; else if (atom.checkVisible () && rect.contains (atom.sX, atom.sY)) bs.set (i); } @@ -700,12 +723,15 @@ return (r == 0 ? 10 : r); }if (useBoundBox && this.getDefaultBoundBox () != null) return this.defaultBBox.getMaxDim () / 2 * 1.2; var maxRadius = 0; for (var i = this.ac; --i >= 0; ) { -if (this.isJmolDataFrameForAtom (this.at[i])) { -modelIndex = this.at[i].mi; -while (i >= 0 && this.at[i].mi == modelIndex) i--; +var atom = this.at[i]; +if (atom == null) continue; +if (this.isJmolDataFrameForAtom (atom)) { +modelIndex = atom.mi; +while (i >= 0 && this.at[i] != null && this.at[i].mi == modelIndex) i--; continue; -}var atom = this.at[i]; +}atom = this.at[i]; +if (atom == null) continue; var distAtom = center.distance (atom); var outerVdw = distAtom + this.getRadiusVdwJmol (atom); if (outerVdw > maxRadius) maxRadius = outerVdw; @@ -841,7 +867,7 @@ return ptCenter; }, "JU.BS"); Clazz.defineMethod (c$, "getAverageAtomPoint", function () { -return (this.getAtomSetCenter (this.vwr.bsA ())); +return this.getAtomSetCenter (this.vwr.bsA ()); }); Clazz.defineMethod (c$, "setAPm", function (bs, tok, iValue, fValue, sValue, values, list) { @@ -905,9 +931,11 @@ var isAll = (atomList == null); allTrajectories = new Boolean (allTrajectories & (this.trajectory != null)).valueOf (); var i0 = (isAll ? 0 : atomList.nextSetBit (0)); for (var i = i0; i >= 0 && i < this.ac; i = (isAll ? i + 1 : atomList.nextSetBit (i + 1))) { +if (this.at[i] == null) continue; bs.set (modelIndex = this.at[i].mi); if (allTrajectories) this.trajectory.getModelBS (modelIndex, bs); -i = this.am[modelIndex].firstAtomIndex + this.am[modelIndex].act - 1; +var m = this.am[modelIndex]; +if (m.isOrderly) i = m.firstAtomIndex + m.act - 1; } return bs; }, "JU.BS,~B"); @@ -935,7 +963,7 @@ for (var iAtom = bs.nextSetBit (0); iAtom >= 0; iAtom = bs.nextSetBit (iAtom + 1 }if ((mode & 8) != 0) { var nH = Clazz.newIntArray (1, 0); atomData.hAtomRadius = this.vwr.getVanderwaalsMar (1) / 1000; -atomData.hAtoms = this.calculateHydrogens (atomData.bsSelected, nH, false, true, null); +atomData.hAtoms = this.calculateHydrogens (atomData.bsSelected, nH, null, 512); atomData.hydrogenAtomCount = nH[0]; return; }if (atomData.modelIndex < 0) atomData.firstAtomIndex = (atomData.bsSelected == null ? 0 : Math.max (0, atomData.bsSelected.nextSetBit (0))); @@ -1297,7 +1325,7 @@ if (JU.Logger.debugging) JU.Logger.debug ("sequential bspt order"); var bsNew = JU.BS.newN (this.mc); for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; -if (!atom.isDeleted () && !this.isTrajectorySubFrame (atom.mi)) { +if (atom != null && !atom.isDeleted () && !this.isTrajectorySubFrame (atom.mi)) { bspf.addTuple (this.am[atom.mi].trajectoryBaseIndex, atom); bsNew.set (atom.mi); }} @@ -1369,7 +1397,6 @@ return (asCopy ? JU.BSUtil.copy (bs) : bs); }, "~N,~B"); Clazz.defineMethod (c$, "getAtomBitsMaybeDeleted", function (tokType, specInfo) { -var info; var bs; switch (tokType) { default: @@ -1393,16 +1420,15 @@ for (var i = bs.nextSetBit (0); i >= 0; i = bs.nextSetBit (i + 1)) if (!boxInfo. return bs; case 1094713349: bs = new JU.BS (); -info = specInfo; -this.ptTemp1.set (info[0] / 1000, info[1] / 1000, info[2] / 1000); +var pt = specInfo; var ignoreOffset = false; -for (var i = this.ac; --i >= 0; ) if (this.isInLatticeCell (i, this.ptTemp1, this.ptTemp2, ignoreOffset)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isInLatticeCell (i, pt, this.ptTemp2, ignoreOffset)) bs.set (i); return bs; case 1094713350: bs = JU.BSUtil.newBitSet2 (0, this.ac); -info = specInfo; -var minmax = Clazz.newIntArray (-1, [Clazz.doubleToInt (info[0] / 1000) - 1, Clazz.doubleToInt (info[1] / 1000) - 1, Clazz.doubleToInt (info[2] / 1000) - 1, Clazz.doubleToInt (info[0] / 1000), Clazz.doubleToInt (info[1] / 1000), Clazz.doubleToInt (info[2] / 1000), 0]); +var pt1 = specInfo; +var minmax = Clazz.newIntArray (-1, [Clazz.floatToInt (pt1.x) - 1, Clazz.floatToInt (pt1.y) - 1, Clazz.floatToInt (pt1.z) - 1, Clazz.floatToInt (pt1.x), Clazz.floatToInt (pt1.y), Clazz.floatToInt (pt1.z), 0]); for (var i = this.mc; --i >= 0; ) { var uc = this.getUnitCell (i); if (uc == null) { @@ -1421,6 +1447,7 @@ var modelIndex = -1; var nOps = 0; for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; var bsSym = atom.atomSymmetry; if (bsSym != null) { if (atom.mi != modelIndex) { @@ -1441,7 +1468,7 @@ bs = new JU.BS (); var unitcell = this.vwr.getCurrentUnitCell (); if (unitcell == null) return bs; this.ptTemp1.set (1, 1, 1); -for (var i = this.ac; --i >= 0; ) if (this.isInLatticeCell (i, this.ptTemp1, this.ptTemp2, false)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isInLatticeCell (i, this.ptTemp1, this.ptTemp2, false)) bs.set (i); return bs; } @@ -1550,7 +1577,7 @@ if (distance < 0) { distance = -distance; for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; -if (modelIndex >= 0 && this.at[i].mi != modelIndex) continue; +if (atom == null || modelIndex >= 0 && atom.mi != modelIndex) continue; if (!bsResult.get (i) && atom.getFractionalUnitDistance (coord, this.ptTemp1, this.ptTemp2) <= distance) bsResult.set (atom.i); } return bsResult; @@ -1655,7 +1682,7 @@ j = 2147483646; } else { if (j == i) continue; atomB = this.at[j]; -if (atomA.mi != atomB.mi || atomB.isDeleted ()) continue; +if (atomB == null || atomA.mi != atomB.mi || atomB.isDeleted ()) continue; if (altloc != '\0' && altloc != atomB.altloc && atomB.altloc != '\0') continue; bondAB = atomA.getBond (atomB); }if ((bondAB == null ? idOrModifyOnly : createOnly) || checkDistance && !this.isInRange (atomA, atomB, minD, maxD, minDIsFrac, maxDIsFrac, isFractional) || isAromatic && !this.allowAromaticBond (bondAB)) continue; @@ -1665,8 +1692,10 @@ nNew++; } else { if (notAnyAndNoId) { bondAB.setOrder (order); -if (isAtrop) bondAB.setAtropisomerOptions (bsA, bsB); -this.bsAromatic.clear (bondAB.index); +if (isAtrop) { +this.haveAtropicBonds = true; +bondAB.setAtropisomerOptions (bsA, bsB); +}this.bsAromatic.clear (bondAB.index); }if (anyOrNoId || order == bondAB.order || newOrder == bondAB.order || matchHbond && bondAB.isHydrogen ()) { bsBonds.set (bondAB.index); nModified++; @@ -1713,7 +1742,7 @@ for (var i = i0; i >= 0 && i < this.ac; i = (isAll ? i + 1 : bsCheck.nextSetBit var isAtomInSetA = (isAll || bsA.get (i)); var isAtomInSetB = (isAll || bsB.get (i)); var atom = this.at[i]; -if (atom.isDeleted ()) continue; +if (atom == null || atom.isDeleted ()) continue; var modelIndex = atom.mi; if (modelIndex != lastModelIndex) { lastModelIndex = modelIndex; @@ -1723,6 +1752,9 @@ continue; }useOccupation = this.getInfoB (modelIndex, "autoBondUsingOccupation"); }var myBondingRadius = atom.getBondingRadius (); if (myBondingRadius == 0) continue; +var myFormalCharge = atom.getFormalCharge (); +var useCharge = (myFormalCharge != 0); +if (useCharge) myFormalCharge = Math.signum (myFormalCharge); var isFirstExcluded = (bsExclude != null && bsExclude.get (i)); var searchRadius = myBondingRadius + this.maxBondingRadius + bondTolerance; this.setIteratorForAtom (iter, -1, i, searchRadius, null); @@ -1732,7 +1764,7 @@ if (atomNear.isDeleted ()) continue; var j = atomNear.i; var isNearInSetA = (isAll || bsA.get (j)); var isNearInSetB = (isAll || bsB.get (j)); -if (!isNearInSetA && !isNearInSetB || !(isAtomInSetA && isNearInSetB || isAtomInSetB && isNearInSetA) || isFirstExcluded && bsExclude.get (j) || useOccupation && this.occupancies != null && (this.occupancies[i] < 50) != (this.occupancies[j] < 50)) continue; +if (!isNearInSetA && !isNearInSetB || !(isAtomInSetA && isNearInSetB || isAtomInSetB && isNearInSetA) || isFirstExcluded && bsExclude.get (j) || useOccupation && this.occupancies != null && (this.occupancies[i] < 50) != (this.occupancies[j] < 50) || useCharge && (Math.signum (atomNear.getFormalCharge ()) == myFormalCharge)) continue; var order = (this.isBondable (myBondingRadius, atomNear.getBondingRadius (), iter.foundDistance2 (), minBondDistance2, bondTolerance) ? 1 : 0); if (order > 0 && this.autoBondCheck (atom, atomNear, order, mad, bsBonds)) nNew++; } @@ -1774,16 +1806,17 @@ var nNew = 0; this.initializeBspf (); var lastModelIndex = -1; for (var i = this.ac; --i >= 0; ) { +var atom = this.at[i]; +if (atom == null) continue; var isAtomInSetA = (bsA == null || bsA.get (i)); var isAtomInSetB = (bsB == null || bsB.get (i)); if (!isAtomInSetA && !isAtomInSetB) continue; -var atom = this.at[i]; if (atom.isDeleted ()) continue; var modelIndex = atom.mi; if (modelIndex != lastModelIndex) { lastModelIndex = modelIndex; if (this.isJmolDataFrameForModel (modelIndex)) { -for (; --i >= 0; ) if (this.at[i].mi != modelIndex) break; +for (; --i >= 0; ) if (this.at[i] == null || this.at[i].mi != modelIndex) break; i++; continue; @@ -1844,15 +1877,16 @@ bsCO.set (i); break; } } -}var dmax = this.vwr.getFloat (570425361); +}var dmax; var min2; if (haveHAtoms) { -if (dmax > JM.ModelSet.hbondMaxReal) dmax = JM.ModelSet.hbondMaxReal; +dmax = this.vwr.getFloat (570425361); min2 = 1; } else { +dmax = this.vwr.getFloat (570425360); min2 = JM.ModelSet.hbondMinRasmol * JM.ModelSet.hbondMinRasmol; }var max2 = dmax * dmax; -var minAttachedAngle = (this.vwr.getFloat (570425360) * 3.141592653589793 / 180); +var minAttachedAngle = (this.vwr.getFloat (570425359) * 3.141592653589793 / 180); var nNew = 0; var d2 = 0; var v1 = new JU.V3 (); @@ -1935,6 +1969,7 @@ var lastid = -1; var imodel = -1; var lastmodel = -1; for (var i = 0; i < this.ac; i++) { +if (this.at[i] == null) continue; if ((imodel = this.at[i].mi) != lastmodel) { idnew = 0; lastmodel = imodel; @@ -2006,63 +2041,24 @@ newModels[i].loadState = " model create #" + i + ";"; this.am = newModels; this.mc = newModelCount; }, "~N"); -Clazz.defineMethod (c$, "assignAtom", -function (atomIndex, type, autoBond, addHsAndBond) { -this.clearDB (atomIndex); -if (type == null) type = "C"; -var atom = this.at[atomIndex]; -var bs = new JU.BS (); -var wasH = (atom.getElementNumber () == 1); -var atomicNumber = JU.Elements.elementNumberFromSymbol (type, true); -var isDelete = false; -if (atomicNumber > 0) { -this.setElement (atom, atomicNumber, !addHsAndBond); -this.vwr.shm.setShapeSizeBs (0, 0, this.vwr.rd, JU.BSUtil.newAndSetBit (atomIndex)); -this.setAtomName (atomIndex, type + atom.getAtomNumber (), !addHsAndBond); -if (this.vwr.getBoolean (603983903)) this.am[atom.mi].isModelKit = true; -if (!this.am[atom.mi].isModelKit) this.taintAtom (atomIndex, 0); -} else if (type.equals ("Pl")) { -atom.setFormalCharge (atom.getFormalCharge () + 1); -} else if (type.equals ("Mi")) { -atom.setFormalCharge (atom.getFormalCharge () - 1); -} else if (type.equals ("X")) { -isDelete = true; -} else if (!type.equals (".")) { -return; -}if (!addHsAndBond) return; -this.removeUnnecessaryBonds (atom, isDelete); -var dx = 0; -if (atom.getCovalentBondCount () == 1) if (wasH) { -dx = 1.50; -} else if (!wasH && atomicNumber == 1) { -dx = 1.0; -}if (dx != 0) { -var v = JU.V3.newVsub (atom, this.at[atom.getBondedAtomIndex (0)]); -var d = v.length (); -v.normalize (); -v.scale (dx - d); -this.setAtomCoordRelative (atomIndex, v.x, v.y, v.z); -}var bsA = JU.BSUtil.newAndSetBit (atomIndex); -if (atomicNumber != 1 && autoBond) { -this.validateBspf (false); -bs = this.getAtomsWithinRadius (1.0, bsA, false, null); -bs.andNot (bsA); -if (bs.nextSetBit (0) >= 0) this.vwr.deleteAtoms (bs, false); -bs = this.vwr.getModelUndeletedAtomsBitSet (atom.mi); -bs.andNot (this.getAtomBitsMDa (1612709900, null, new JU.BS ())); -this.makeConnections2 (0.1, 1.8, 1, 1073741904, bsA, bs, null, false, false, 0); -}if (true) this.vwr.addHydrogens (bsA, false, true); -}, "~N,~S,~B,~B"); Clazz.defineMethod (c$, "deleteAtoms", function (bs) { if (bs == null) return; var bsBonds = new JU.BS (); -for (var i = bs.nextSetBit (0); i >= 0 && i < this.ac; i = bs.nextSetBit (i + 1)) this.at[i].$delete (bsBonds); - +var doNull = false; +for (var i = bs.nextSetBit (0); i >= 0 && i < this.ac; i = bs.nextSetBit (i + 1)) { +this.at[i].$delete (bsBonds); +if (doNull) this.at[i] = null; +} for (var i = 0; i < this.mc; i++) { -this.am[i].bsAtomsDeleted.or (bs); -this.am[i].bsAtomsDeleted.and (this.am[i].bsAtoms); -this.am[i].resetDSSR (false); +var m = this.am[i]; +m.resetDSSR (false); +m.bsAtomsDeleted.or (bs); +m.bsAtomsDeleted.and (m.bsAtoms); +bs = JU.BSUtil.andNot (m.bsAtoms, m.bsAtomsDeleted); +m.firstAtomIndex = bs.nextSetBit (0); +m.act = bs.cardinality (); +m.isOrderly = (m.act == m.bsAtoms.length ()); } this.deleteBonds (bsBonds, false); this.validateBspf (false); @@ -2124,7 +2120,7 @@ if (this.atomSerials != null) this.atomSerials = JU.AU.arrayCopyI (this.atomSeri if (this.atomSeqIDs != null) this.atomSeqIDs = JU.AU.arrayCopyI (this.atomSeqIDs, newLength); }, "~N"); Clazz.defineMethod (c$, "addAtom", -function (modelIndex, group, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry) { +function (modelIndex, group, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry, bondRadius) { var atom = new JM.Atom ().setAtom (modelIndex, this.ac, xyz, radius, atomSymmetry, atomSite, atomicAndIsotopeNumber, formalCharge, isHetero); this.am[modelIndex].act++; this.am[modelIndex].bsAtoms.set (this.ac); @@ -2152,9 +2148,10 @@ this.atomSerials[this.ac] = atomSerial; if (this.atomSeqIDs == null) this.atomSeqIDs = Clazz.newIntArray (this.at.length, 0); this.atomSeqIDs[this.ac] = atomSeqID; }if (vib != null) this.setVibrationVector (this.ac, vib); +if (!Float.isNaN (bondRadius)) this.setBondingRadius (this.ac, bondRadius); this.ac++; return atom; -}, "~N,JM.Group,~N,~S,~S,~N,~N,~N,JU.P3,~N,JU.V3,~N,~N,~N,~N,JU.Lst,~B,~N,JU.BS"); +}, "~N,JM.Group,~N,~S,~S,~N,~N,~N,JU.P3,~N,JU.V3,~N,~N,~N,~N,JU.Lst,~B,~N,JU.BS,~N"); Clazz.defineMethod (c$, "getInlineData", function (modelIndex) { var data = null; @@ -2201,12 +2198,16 @@ var lastModelIndex = 2147483647; var atomNo = 1; for (var i = iFirst; i < this.ac; ++i) { var atom = this.at[i]; +if (atom == null) continue; if (atom.mi != lastModelIndex) { lastModelIndex = atom.mi; atomNo = (isZeroBased ? 0 : 1); -}if (i >= -baseAtomIndex) { -if (this.atomSerials[i] == 0 || baseAtomIndex < 0) this.atomSerials[i] = (i < baseAtomIndex ? mergeSet.atomSerials[i] : atomNo); +}var ano = this.atomSerials[i]; +if (i >= -baseAtomIndex) { +if (ano == 0 || baseAtomIndex < 0) this.atomSerials[i] = (i < baseAtomIndex ? mergeSet.atomSerials[i] : atomNo); if (this.atomNames[i] == null || baseAtomIndex < 0) this.atomNames[i] = (atom.getElementSymbol () + this.atomSerials[i]).intern (); +} else if (ano > atomNo) { +atomNo = ano; }if (!this.am[lastModelIndex].isModelKit || atom.getElementNumber () > 0 && !atom.isDeleted ()) atomNo++; } }, "~N,~N,JM.AtomCollection"); @@ -2833,7 +2834,5 @@ for (var i = bsAtoms.nextSetBit (0); i >= 0; i = bsAtoms.nextSetBit (i + 1)) s + return s; }, "JU.BS,~B"); Clazz.defineStatics (c$, -"hbondMinRasmol", 2.5, -"hbondMaxReal", 3.5, -"hbondHCMaxReal", 3.2); +"hbondMinRasmol", 2.5); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JM/Monomer.js b/qmpy/web/static/js/jsmol/j2s/JM/Monomer.js index 13e28dad..c336bcf7 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/Monomer.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/Monomer.js @@ -64,7 +64,7 @@ var m = groups[ipt]; if (offset == 1 && !m.isConnectedPrevious ()) return -1; if ("\0".equals (name)) return m.leadAtomIndex; var atoms = this.chain.model.ms.at; -for (var i = m.firstAtomIndex; i <= m.lastAtomIndex; i++) if (name == null || name.equalsIgnoreCase (atoms[i].getAtomName ())) return i; +for (var i = m.firstAtomIndex; i <= m.lastAtomIndex; i++) if (atoms[i] != null && (name == null || name.equalsIgnoreCase (atoms[i].getAtomName ()))) return i; }}return -1; }, "~S,~N"); diff --git a/qmpy/web/static/js/jsmol/j2s/JM/ProteinStructure.js b/qmpy/web/static/js/jsmol/j2s/JM/ProteinStructure.js index 6a0dbec0..13e0048e 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/ProteinStructure.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/ProteinStructure.js @@ -27,7 +27,7 @@ this.type = type; this.vectorProjection = new JU.V3 (); this.monomerIndexFirst = monomerIndex; this.addMonomer (monomerIndex + monomerCount - 1); -if (JU.Logger.debugging) JU.Logger.info ("Creating ProteinStructure " + this.strucNo + " " + type.getBioStructureTypeName (false) + " from " + this.monomerIndexFirst + " through " + this.monomerIndexLast + " in polymer " + apolymer); +if (JU.Logger.debugging) JU.Logger.info ("Creating ProteinStructure " + this.strucNo + " " + type.getBioStructureTypeName (false) + " from " + apolymer.monomers[this.monomerIndexFirst] + " through " + apolymer.monomers[this.monomerIndexLast] + " in polymer " + apolymer); }, "JM.AlphaPolymer,J.c.STR,~N,~N"); Clazz.defineMethod (c$, "addMonomer", function (index) { diff --git a/qmpy/web/static/js/jsmol/j2s/JM/Trajectory.js b/qmpy/web/static/js/jsmol/j2s/JM/Trajectory.js index f96d18bc..1bd96ca1 100644 --- a/qmpy/web/static/js/jsmol/j2s/JM/Trajectory.js +++ b/qmpy/web/static/js/jsmol/j2s/JM/Trajectory.js @@ -45,10 +45,12 @@ var iFirst = am[baseModelIndex].firstAtomIndex; var iMax = iFirst + this.ms.getAtomCountInModel (baseModelIndex); if (f == 0) { for (var pt = 0, i = iFirst; i < iMax && pt < t1.length; i++, pt++) { -at[i].mi = modelIndex; +var a = at[i]; +if (a == null) continue; +a.mi = modelIndex; if (t1[pt] == null) continue; -if (isFractional) at[i].setFractionalCoordTo (t1[pt], true); - else at[i].setT (t1[pt]); +if (isFractional) a.setFractionalCoordTo (t1[pt], true); + else a.setT (t1[pt]); if (this.ms.vibrationSteps != null) { if (vibs != null && vibs[pt] != null) vib = vibs[pt]; this.ms.setVibrationVector (i, vib); @@ -58,12 +60,14 @@ this.ms.setVibrationVector (i, vib); var p = new JU.P3 (); var n = Math.min (t1.length, t2.length); for (var pt = 0, i = iFirst; i < iMax && pt < n; i++, pt++) { -at[i].mi = modelIndex; +var a = at[i]; +if (a == null) continue; +a.mi = modelIndex; if (t1[pt] == null || t2[pt] == null) continue; p.sub2 (t2[pt], t1[pt]); p.scaleAdd2 (f, p, t1[pt]); -if (isFractional) at[i].setFractionalCoordTo (p, true); - else at[i].setT (p); +if (isFractional) a.setFractionalCoordTo (p, true); + else a.setT (p); bs.set (i); } }this.ms.initializeBspf (); @@ -130,8 +134,9 @@ for (var i = 1, count = measure[0]; i <= count; i++) if ((atomIndex = measure[i] }, "~A"); Clazz.defineMethod (c$, "selectDisplayed", function (bs) { +var a; for (var i = this.ms.mc; --i >= 0; ) { -if (this.ms.am[i].isTrajectory && this.ms.at[this.ms.am[i].firstAtomIndex].mi != i) bs.clear (i); +if (this.ms.am[i].isTrajectory && ((a = this.ms.at[this.ms.am[i].firstAtomIndex]) == null || a.mi != i)) bs.clear (i); } }, "JU.BS"); Clazz.defineMethod (c$, "getModelBS", diff --git a/qmpy/web/static/js/jsmol/j2s/JS/CIPDataSmiles.js b/qmpy/web/static/js/jsmol/j2s/JS/CIPDataSmiles.js index f3d6de3e..5c9050c3 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/CIPDataSmiles.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/CIPDataSmiles.js @@ -65,7 +65,7 @@ var center = this.findCumulativeCenter (b, c); if (center == null) return 0; var jn = center.stereo.getAlleneAtoms (center, b.atom); if (jn == null) return 0; -center.stereo.setTopoCoordinates (center, null, null, jn); +center.stereo.setTopoCoordinates (center, null, null, jn, false); var angle = JU.Measure.computeTorsion (jn[0].getXYZ (), jn[1].getXYZ (), jn[2].getXYZ (), jn[3].getXYZ (), true); return ((angle > 0) == ((a.atom.getIndex () == jn[0].getIndex ()) && (d.atom.getIndex () == jn[3].getIndex ()) || (a.atom.getIndex () == jn[1].getIndex ()) && (d.atom.getIndex () == jn[2].getIndex ())) ? 18 : 17); }, "JS.CIPChirality.CIPAtom,JS.CIPChirality.CIPAtom,JS.CIPChirality.CIPAtom,JS.CIPChirality.CIPAtom"); @@ -94,7 +94,7 @@ if (a.stereo == null) return false; var edges = a.getEdges (); for (var i = edges.length; --i >= 0; ) this.nodes[i] = edges[i].getOtherNode (a); -a.stereo.setTopoCoordinates (a, null, null, this.nodes); +a.stereo.setTopoCoordinates (a, null, null, this.nodes, false); return true; }, "JU.SimpleNode,~A"); Clazz.defineMethod (c$, "getSmilesChiralityArray", diff --git a/qmpy/web/static/js/jsmol/j2s/JS/CmdExt.js b/qmpy/web/static/js/jsmol/j2s/JS/CmdExt.js index 34b31186..18acc392 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/CmdExt.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/CmdExt.js @@ -15,7 +15,7 @@ case 1073741866: st[0].value = this.prepareBinaryOutput (st[0]); return null; case 4098: -this.assign (1); +this.assign (); break; case 134221829: this.cache (); @@ -107,15 +107,16 @@ return null; }, "~N,~B,~A"); Clazz.defineMethod (c$, "modelkit", function () { -var isOn = true; var i = 0; -switch (this.tokAt (1)) { +var tok = this.tokAt (1); +switch (tok) { case 1073742334: -isOn = false; case 0: case 1073742335: -if (!this.chk) this.vwr.setBooleanProperty ("modelkitmode", isOn); -return; +if (!this.chk) this.vwr.setBooleanProperty ("modelkitmode", tok != 1073742334); +if (this.tokAt (i + 1) == 0) return; +i = ++this.e.iToken; +break; case 528432: this.e.cmdRotate (false, false); return; @@ -123,18 +124,28 @@ case 4145: this.e.cmdRotate (false, true); return; case 4098: -this.assign (2); +++this.e.iToken; +case 4106: +this.assign (); return; } var kit = this.vwr.getModelkit (false); -var tok = 0; while ((tok = this.tokAt (++i)) != 0) { var key = this.paramAsStr (i).toLowerCase (); var value = null; switch (tok) { +case 1073742335: +case 1073742334: +if (!this.chk) this.vwr.setBooleanProperty ("modelkitmode", tok == 1073742335); +continue; +case 1610625028: +case 12294: +key = "hidden"; +value = Boolean.$valueOf (tok != 1610625028); +break; case 36867: key = this.paramAsStr (++i); -value = this.paramAsStr (++i); +value = (this.tokAt (++i) == 0 ? "true" : this.paramAsStr (i)); break; case 1073742024: value = this.paramAsStr (++i).toLowerCase (); @@ -181,9 +192,8 @@ value = this.e.atomCenterOrCoordinateParameter (++i, null); i = this.e.iToken; break; default: -if (JU.PT.isOneOf (key, ";showsymopinfo;clicktosetelement;addhydrogen;addhydrogens;")) { -isOn = (tok == 0 || this.tokAt (++i) == 1073742335); -value = Boolean.$valueOf (isOn); +if (JU.PT.isOneOf (key, ";autobond;hidden;showsymopinfo;clicktosetelement;addhydrogen;addhydrogens;")) { +value = Boolean.$valueOf ((tok = this.tokAt (++i)) == 0 || tok == 1073742335); break; }if (JU.PT.isOneOf (key, ";view;edit;molecular;")) { value = key; @@ -195,7 +205,7 @@ key = "unitcell"; break; }this.invArg (); } -if (value != null && !this.chk) kit.setProperty (key, value); +if (!this.chk && value != null && (value = kit.setProperty (key, value)) != null && key !== "hidden" && !kit.isHidden ()) this.vwr.showString ("modelkit " + key + " = " + value.toString (), false); } }); Clazz.defineMethod (c$, "macro", @@ -239,6 +249,10 @@ return true; }, "JS.ScriptContext,JV.ShapeManager"); Clazz.defineMethod (c$, "getBitsetIdent", function (bs, label, tokenValue, useAtomMap, index, isExplicitlyAll) { +return this.getBitsetIdentFull (bs, label, tokenValue, useAtomMap, index, isExplicitlyAll, null); +}, "JU.BS,~S,~O,~B,~N,~B"); +Clazz.defineMethod (c$, "getBitsetIdentFull", +function (bs, label, tokenValue, useAtomMap, index, isExplicitlyAll, sout) { var isAtoms = !(Clazz.instanceOf (tokenValue, JM.BondSet)); if (isAtoms) { if (label == null) label = this.vwr.getStandardLabelFormat (0); @@ -252,12 +266,12 @@ return isExplicitlyAll ? Clazz.newArray (-1, [label]) : label; var n = 0; var labeler = modelSet.getLabeler (); var indices = (isAtoms || !useAtomMap ? null : (tokenValue).associatedAtoms); -if (indices == null && label != null && label.indexOf ("%D") > 0) indices = this.vwr.ms.getAtomIndices (bs); var asIdentity = (label == null || label.length == 0); var htValues = (isAtoms || asIdentity ? null : JM.LabelToken.getBondLabelValues ()); var tokens = (asIdentity ? null : isAtoms ? labeler.compile (this.vwr, label, '\0', null) : labeler.compile (this.vwr, label, '\1', htValues)); var nmax = (haveIndex ? 1 : bs.cardinality ()); -var sout = new Array (nmax); +var haveSout = (sout != null); +if (!haveSout) sout = new Array (nmax); var ptTemp = new JU.P3 (); for (var j = (haveIndex ? index : bs.nextSetBit (0)); j >= 0; j = bs.nextSetBit (j + 1)) { var str; @@ -269,11 +283,12 @@ var bond = modelSet.bo[j]; if (asIdentity) str = bond.getIdentity (); else str = labeler.formatLabelBond (this.vwr, bond, tokens, htValues, indices, ptTemp); }str = JU.PT.formatStringI (str, "#", (n + 1)); -sout[n++] = str; +sout[haveSout ? j : n] = str; +n++; if (haveIndex) break; } return nmax == 1 && !isExplicitlyAll ? sout[0] : sout; -}, "JU.BS,~S,~O,~B,~N,~B"); +}, "JU.BS,~S,~O,~B,~N,~B,~A"); Clazz.defineMethod (c$, "getLoadSymmetryParams", function (i, sOptions, htParams) { var eval = this.e; @@ -477,20 +492,29 @@ var isSurface = false; var asDSSP = false; var bs1 = null; var bs2 = null; -var eval = this.e; +var e = this.e; var n = -2147483648; var version = 2; -if ((eval.iToken = eval.slen) >= 2) { -eval.clearDefinedVariableAtomSets (); +if ((e.iToken = e.slen) >= 2) { +e.clearDefinedVariableAtomSets (); switch (this.getToken (1).tok) { +case 2: +if (this.intParameter (1) != 3 || !this.paramAsStr (2).equalsIgnoreCase ("D")) { +break; +}if (this.vwr.am.cmi < 0) e.errorStr (30, "calculate 3D"); +var cmd = "load append $ filter '2D';select visible;center selected"; +if (e.optParameterAsString (3).equalsIgnoreCase ("ZAP")) { +cmd += ";zap modelIndex=" + Math.max (this.vwr.am.cmi, 0); +}if (!this.chk) e.runScript (cmd); +return; case 1073741824: this.checkLength (2); break; case 1086324752: -eval.iToken = 1; +e.iToken = 1; bs1 = (this.slen == 2 ? null : this.atomExpressionAt (2)); -eval.checkLast (eval.iToken); -if (!this.chk) eval.showString (this.vwr.calculateChirality (bs1)); +e.checkLast (e.iToken); +if (!this.chk) e.showString (this.vwr.calculateChirality (bs1)); return; case 1631586315: this.checkLength (2); @@ -503,32 +527,38 @@ this.checkLength (2); if (!this.chk) this.vwr.ms.assignAromaticBondsBs (true, null); return; case 1613238294: -if (eval.slen != 2) { -asDSSP = (this.tokAt (++eval.iToken) == 1639976963); +if (e.slen != 2) { +asDSSP = (this.tokAt (++e.iToken) == 1639976963); if (asDSSP) bs1 = this.vwr.bsA (); - else bs1 = this.atomExpressionAt (eval.iToken); -if (!asDSSP && !(asDSSP = (this.tokAt (++eval.iToken) == 1639976963))) bs2 = this.atomExpressionAt (eval.iToken); + else bs1 = this.atomExpressionAt (e.iToken); +if (!asDSSP && !(asDSSP = (this.tokAt (++e.iToken) == 1639976963))) bs2 = this.atomExpressionAt (e.iToken); }if (this.chk) return; n = this.vwr.autoHbond (bs1, bs2, false); -if (n != -2147483648) eval.report (J.i18n.GT.i (J.i18n.GT.$ ("{0} hydrogen bonds"), Math.abs (n)), false); +if (n != -2147483648) e.report (J.i18n.GT.i (J.i18n.GT.$ ("{0} hydrogen bonds"), Math.abs (n)), false); return; case 1612709900: -var andBond = (this.tokAt (2) == 1073742335); -if (andBond) eval.iToken++; -bs1 = (this.slen == (andBond ? 3 : 2) ? null : this.atomExpressionAt (andBond ? 3 : 2)); -eval.checkLast (eval.iToken); +var itok = this.tokAt (2); +var andBond = (itok == 1073742335); +if (andBond) { +e.iToken++; +} else if (itok == 528443) { +e.iToken++; +}bs1 = (this.slen == e.iToken + 1 ? null : this.atomExpressionAt (e.iToken + 1)); +if (bs1 == null && itok == 528443) { +bs1 = this.vwr.getAtomBitSet ("_C & connected(3) & !connected(double)"); +}e.checkLast (e.iToken); if (!this.chk) { -this.vwr.addHydrogens (bs1, false, false); +this.vwr.addHydrogens (bs1, 0); if (andBond) { if (bs1 == null) bs1 = this.vwr.bsA (); this.vwr.makeConnections (0.1, 1e8, 515, 1073742025, bs1, bs1, null, false, false, 0); this.vwr.ms.assignAromaticBondsBs (true, null); }}return; case 1111492619: -eval.iToken = 1; +e.iToken = 1; bs1 = (this.slen == 2 ? null : this.atomExpressionAt (2)); -eval.checkLast (eval.iToken); -if (!this.chk) eval.getPartialCharges (bs1); +e.checkLast (e.iToken); +if (!this.chk) e.getPartialCharges (bs1); return; case 1088421903: case 134217762: @@ -537,7 +567,7 @@ if (this.tokAt (2) == 1275203608) { var id = (this.tokAt (3) == 4 ? this.stringParameter (3) : null); bs1 = (id != null || this.slen == 3 ? null : this.atomExpressionAt (3)); var data = Clazz.newArray (-1, [id, null, bs1]); -this.showString (eval.getShapePropertyData (21, "symmetry", data) ? data[1] : ""); +this.showString (e.getShapePropertyData (21, "symmetry", data) ? data[1] : ""); } else { this.showString (this.vwr.ms.calculatePointGroup (this.vwr.bsA ())); }}return; @@ -549,16 +579,16 @@ this.vwr.addStateScript ("set quaternionFrame '" + this.vwr.getQuaternionFrame ( }return; case 1639976963: bs1 = (this.slen < 4 || this.isFloatParameter (3) ? null : this.atomExpressionAt (2)); -switch (this.tokAt (++eval.iToken)) { +switch (this.tokAt (++e.iToken)) { case 4138: break; case 1111490587: if (this.chk) return; -eval.showString (this.vwr.getAnnotationParser (true).calculateDSSRStructure (this.vwr, bs1)); +e.showString (this.vwr.getAnnotationParser (true).calculateDSSRStructure (this.vwr, bs1)); return; case 1073741915: asDSSP = true; -version = (this.slen == eval.iToken + 1 ? 2 : Clazz.floatToInt (this.floatParameter (++eval.iToken))); +version = (this.slen == e.iToken + 1 ? 2 : Clazz.floatToInt (this.floatParameter (++e.iToken))); break; case 0: asDSSP = this.vwr.getBoolean (603979826); @@ -569,15 +599,15 @@ this.invArg (); if (!this.chk) this.showString (this.vwr.calculateStructures (bs1, asDSSP, true, version)); return; case 659482: -bs1 = (eval.iToken + 1 < this.slen ? this.atomExpressionAt (++eval.iToken) : null); -bs2 = (eval.iToken + 1 < this.slen ? this.atomExpressionAt (++eval.iToken) : null); -this.checkLength (++eval.iToken); +bs1 = (e.iToken + 1 < this.slen ? this.atomExpressionAt (++e.iToken) : null); +bs2 = (e.iToken + 1 < this.slen ? this.atomExpressionAt (++e.iToken) : null); +this.checkLength (++e.iToken); if (!this.chk) { n = this.vwr.calculateStruts (bs1, bs2); if (n > 0) { this.setShapeProperty (1, "type", Integer.$valueOf (32768)); -eval.setShapePropertyBs (1, "color", Integer.$valueOf (0x0FFFFFF), null); -eval.setShapeTranslucency (1, "", "translucent", 0.5, null); +e.setShapePropertyBs (1, "color", Integer.$valueOf (0x0FFFFFF), null); +e.setShapeTranslucency (1, "", "translucent", 0.5, null); this.setShapeProperty (1, "type", Integer.$valueOf (1023)); }this.showString (J.i18n.GT.i (J.i18n.GT.$ ("{0} struts added"), n)); }return; @@ -587,24 +617,24 @@ case 1111490575: var isFrom = false; switch (this.tokAt (2)) { case 134217759: -eval.iToken++; +e.iToken++; break; case 0: isFrom = !isSurface; break; case 1073741952: isFrom = true; -eval.iToken++; +e.iToken++; break; default: isFrom = true; } -bs1 = (eval.iToken + 1 < this.slen ? this.atomExpressionAt (++eval.iToken) : this.vwr.bsA ()); -this.checkLength (++eval.iToken); +bs1 = (e.iToken + 1 < this.slen ? this.atomExpressionAt (++e.iToken) : this.vwr.bsA ()); +this.checkLength (++e.iToken); if (!this.chk) this.vwr.calculateSurface (bs1, (isFrom ? 3.4028235E38 : -1)); return; } -}eval.errorStr2 (53, "CALCULATE", "aromatic? hbonds? hydrogen? formalCharge? partialCharge? pointgroup? straightness? structure? struts? surfaceDistance FROM? surfaceDistance WITHIN?"); +}e.errorStr2 (53, "CALCULATE", "3D? aromatic? hbonds? hydrogen? formalCharge? partialCharge? pointgroup? straightness? structure? struts? surfaceDistance FROM? surfaceDistance WITHIN?"); }); Clazz.defineMethod (c$, "capture", function () { @@ -758,15 +788,21 @@ var vAtomSets = null; var vQuatSets = null; eval.iToken = 0; var nSeconds = (this.isFloatParameter (1) ? this.floatParameter (++eval.iToken) : NaN); -var bsFrom = this.atomExpressionAt (++eval.iToken); var coordTo = null; +var bsFrom = null; var bsTo = null; +var tok = 0; +if (this.tokAt (1) == 4115) { +bsFrom = this.vwr.bsA (); +} else { +bsFrom = this.atomExpressionAt (1); if (eval.isArrayParameter (++eval.iToken)) { coordTo = eval.getPointArray (eval.iToken, -1, false); -} else if (this.tokAt (eval.iToken) != 1140850689) { +} else if ((tok = this.tokAt (eval.iToken)) != 1140850689 && tok != 4115) { bsTo = this.atomExpressionAt (eval.iToken); -}var bsSubset = null; +}}var bsSubset = null; var isSmiles = false; +var isPolyhedral = false; var strSmiles = null; var bs = JU.BSUtil.copy (bsFrom); if (bsTo != null) bs.or (bsTo); @@ -776,14 +812,18 @@ for (var i = eval.iToken + 1; i < this.slen; ++i) { switch (this.getToken (i).tok) { case 4115: isFrames = true; +if (bsTo == null) bsTo = JU.BSUtil.copy (bsFrom); break; case 134218757: isSmiles = true; -if (this.tokAt (i + 1) != 4) { +tok = this.tokAt (i + 1); +if (tok != 4 && tok != 1275203608) { strSmiles = "*"; break; }case 134218756: -strSmiles = this.stringParameter (++i); +isPolyhedral = (this.tokAt (++i) == 1275203608); +strSmiles = (isPolyhedral ? "polyhedra" : this.stringParameter (i)); +if (strSmiles.equalsIgnoreCase ("polyhedra") || strSmiles.equalsIgnoreCase ("polyhedron")) isPolyhedral = true; break; case 1677721602: isFlexFit = true; @@ -791,8 +831,12 @@ doRotate = true; strSmiles = this.paramAsStr (++i); if (strSmiles.equalsIgnoreCase ("SMILES")) { isSmiles = true; +if (this.e.tokAt (i + 1) == 1612709900) { +strSmiles = "H"; +i++; +} else { strSmiles = "*"; -}break; +}}break; case 3: case 2: nSeconds = Math.abs (this.floatParameter (i)); @@ -808,7 +852,7 @@ case 10: case 1073742325: if (vQuatSets != null) this.invArg (); bsAtoms1 = this.atomExpressionAt (eval.iToken); -var tok = (isToSubsetOfFrom ? 0 : this.tokAt (eval.iToken + 1)); +tok = (isToSubsetOfFrom ? 0 : this.tokAt (eval.iToken + 1)); bsAtoms2 = (coordTo == null && eval.isArrayParameter (eval.iToken + 1) ? null : (tok == 10 || tok == 1073742325 ? this.atomExpressionAt (++eval.iToken) : JU.BSUtil.copy (bsAtoms1))); if (bsSubset != null) { bsAtoms1.and (bsSubset); @@ -819,6 +863,11 @@ if (vAtomSets == null) vAtomSets = new JU.Lst (); vAtomSets.addLast ( Clazz.newArray (-1, [bsAtoms1, bsAtoms2])); i = eval.iToken; break; +case 1275203608: +isSmiles = isPolyhedral = true; +break; +case 4125: +break; case 7: if (vAtomSets != null) this.invArg (); isQuaternion = true; @@ -850,10 +899,12 @@ if (isFrames) nSeconds = 0; if (Float.isNaN (nSeconds) || nSeconds < 0) nSeconds = 1; else if (!doRotate && !doTranslate) doRotate = doTranslate = true; doAnimate = (nSeconds != 0); -var isAtoms = (!isQuaternion && strSmiles == null || coordTo != null); +var isAtoms = (!isQuaternion && strSmiles == null && !isPolyhedral || coordTo != null); if (isAtoms) J.api.Interface.getInterface ("JU.Eigen", this.vwr, "script"); if (vAtomSets == null && vQuatSets == null) { -if (bsSubset == null) { +if (isPolyhedral && bsSubset == null) { +bsSubset = this.vwr.getAtomBitSet ("polyhedra"); +}if (bsSubset == null) { bsAtoms1 = (isAtoms ? this.vwr.getAtomBitSet ("spine") : new JU.BS ()); if (bsAtoms1.nextSetBit (0) < 0) { bsAtoms1 = bsFrom; @@ -873,17 +924,22 @@ bsAtoms2.and (bsTo); }}vAtomSets = new JU.Lst (); vAtomSets.addLast ( Clazz.newArray (-1, [bsAtoms1, bsAtoms2])); }var bsFrames; +var bsModels = null; if (isFrames) { -var bsModels = this.vwr.ms.getModelBS (bsFrom, false); +bsModels = this.vwr.ms.getModelBS (bsFrom, false); bsFrames = new Array (bsModels.cardinality ()); for (var i = 0, iModel = bsModels.nextSetBit (0); iModel >= 0; iModel = bsModels.nextSetBit (iModel + 1), i++) bsFrames[i] = this.vwr.getModelUndeletedAtomsBitSet (iModel); } else { +bsModels = JU.BSUtil.newAndSetBit (0); bsFrames = Clazz.newArray (-1, [bsFrom]); -}for (var iFrame = 0; iFrame < bsFrames.length; iFrame++) { +}for (var iFrame = 0, iModel = bsModels.nextSetBit (0); iFrame < bsFrames.length; iFrame++, iModel = bsModels.nextSetBit (iModel + 1)) { bsFrom = bsFrames[iFrame]; var retStddev = Clazz.newFloatArray (2, 0); -var q = null; +if (isFrames && isPolyhedral && iFrame == 0) { +bsTo = bsFrom; +continue; +}var q = null; var vQ = new JU.Lst (); var centerAndPoints = null; var vAtomSets2 = (isFrames ? new JU.Lst () : vAtomSets); @@ -912,7 +968,7 @@ for (var i = 1; i <= n; i++) { var aij = centerAndPoints[0][i]; var bij = centerAndPoints[1][i]; if (!(Clazz.instanceOf (aij, JM.Atom)) || !(Clazz.instanceOf (bij, JM.Atom))) break; -JU.Logger.info (" atom 1 " + (aij).getInfo () + "\tatom 2 " + (bij).getInfo ()); +if (!isFrames) JU.Logger.info (" atom 1 " + (aij).getInfo () + "\tatom 2 " + (bij).getInfo ()); } q = JU.Measure.calculateQuaternionRotation (centerAndPoints, retStddev); var r0 = (Float.isNaN (retStddev[1]) ? NaN : Math.round (retStddev[0] * 100) / 100); @@ -939,8 +995,8 @@ this.showString ("RMSD = " + retStddev[0] + " degrees"); } else { var m4 = new JU.M4 (); center = new JU.P3 (); -if (("*".equals (strSmiles) || "".equals (strSmiles)) && bsFrom != null) try { -strSmiles = this.vwr.getSmiles (bsFrom); +if (bsFrom != null && strSmiles != null && ("H".equals (strSmiles) || "*".equals (strSmiles) || "".equals (strSmiles))) try { +strSmiles = this.vwr.getSmilesOpt (bsFrom, -1, -1, ("H".equals (strSmiles) ? 4096 : 0), null); } catch (ex) { if (Clazz.exceptionOf (ex, Exception)) { eval.evalError (ex.getMessage (), null); @@ -952,9 +1008,17 @@ if (isFlexFit) { var list; if (bsFrom == null || bsTo == null || (list = eval.getSmilesExt ().getFlexFitList (bsFrom, bsTo, strSmiles, !isSmiles)) == null) return; this.vwr.setDihedrals (list, null, 1); -}var stddev = eval.getSmilesExt ().getSmilesCorrelation (bsFrom, bsTo, strSmiles, null, null, m4, null, false, null, center, false, 32 | (isSmiles ? 1 : 2)); -if (Float.isNaN (stddev)) { -this.showString ("structures do not match"); +}var stddev; +if (isPolyhedral) { +var bs1 = JU.BS.copy (bsAtoms1); +bs1.and (bsFrom); +var bs2 = JU.BS.copy (bsAtoms2); +bs2.and (bsTo); +stddev = eval.getSmilesExt ().mapPolyhedra (bs1.nextSetBit (0), bs2.nextSetBit (0), isSmiles, m4); +} else { +stddev = eval.getSmilesExt ().getSmilesCorrelation (bsFrom, bsTo, strSmiles, null, null, m4, null, false, null, center, false, 32 | (isSmiles ? 1 : 2)); +}if (Float.isNaN (stddev)) { +this.showString ("structures do not match from " + bsFrom + " to " + bsTo); return; }if (doTranslate) { translation = new JU.V3 (); @@ -964,7 +1028,10 @@ var m3 = new JU.M3 (); m4.getRotationScale (m3); q = JU.Quat.newM (m3); }this.showString ("RMSD = " + stddev + " Angstroms"); -}if (centerAndPoints != null) center = centerAndPoints[0][0]; +if (isFrames) { +var oabc = this.vwr.getV0abc (iModel, Clazz.newArray (-1, [m4])); +if (oabc != null) eval.setModelCagePts (iModel, oabc, null); +}}if (centerAndPoints != null) center = centerAndPoints[0][0]; if (center == null) { centerAndPoints = this.vwr.getCenterAndPoints (vAtomSets2, true); center = centerAndPoints[0][0]; @@ -979,6 +1046,7 @@ pt1.add2 (center, q.getNormal ()); endDegrees = q.getTheta (); if (endDegrees == 0 && doTranslate) { if (translation.length () > 0.01) endDegrees = 1e10; + else if (isFrames) continue; else doRotate = doTranslate = doAnimate = false; }}if (Float.isNaN (endDegrees) || Float.isNaN (pt1.x)) continue; var ptsB = null; @@ -1095,9 +1163,9 @@ var rd = null; var intramolecular = null; var tokAction = 268435538; var strFormat = null; -var font = null; var property = null; var units = null; +var font = null; var points = new JU.Lst (); var bs = new JU.BS (); var target = null; @@ -1862,7 +1930,7 @@ this.checkLength (0); }); Clazz.defineMethod (c$, "invertSelected", function () { -var eval = this.e; +var e = this.e; var pt = null; var plane = null; var bs = null; @@ -1882,27 +1950,27 @@ case 10: case 1073742325: case 12290: bs = this.atomExpressionAt (ipt); -if (!eval.isAtomExpression (eval.iToken + 1)) { -eval.checkLengthErrorPt (eval.iToken + 1, eval.iToken + 1); +if (!e.isAtomExpression (e.iToken + 1)) { +e.checkLengthErrorPt (e.iToken + 1, e.iToken + 1); if (!this.chk) { for (var i = bs.nextSetBit (0); i >= 0; i = bs.nextSetBit (i + 1)) { this.vwr.invertRingAt (i, false); } }return; }iAtom = bs.nextSetBit (0); -bs = this.atomExpressionAt (eval.iToken + 1); +bs = this.atomExpressionAt (e.iToken + 1); break; case 134217751: -pt = eval.centerParameter (2, null); +pt = e.centerParameter (2, null); break; case 134217750: -plane = eval.planeParameter (1); +plane = e.planeParameter (1); break; case 134219265: -plane = eval.hklParameter (2); +plane = e.hklParameter (2, false); break; } -eval.checkLengthErrorPt (eval.iToken + 1, 1); +e.checkLengthErrorPt (e.iToken + 1, 1); if (plane == null && pt == null && iAtom == -2147483648) this.invArg (); if (this.chk) return; if (iAtom == -1) return; @@ -1918,7 +1986,7 @@ var mapKey; var tokProp1 = 0; var tokProp2 = 0; var tokKey = 0; -var eval = this.e; +var e = this.e; while (true) { if (this.tokAt (1) == 1113589787) { bsFrom = this.vwr.bsA (); @@ -1926,14 +1994,14 @@ bsTo = this.atomExpressionAt (2); property1 = property2 = "selected"; } else { bsFrom = this.atomExpressionAt (1); -if (this.tokAt (++eval.iToken) != 1073742336 || !JS.T.tokAttr (tokProp1 = this.tokAt (++eval.iToken), 1077936128)) break; -property1 = this.paramAsStr (eval.iToken); -bsTo = this.atomExpressionAt (++eval.iToken); -if (this.tokAt (++eval.iToken) != 1073742336 || !JS.T.tokAttr (tokProp2 = this.tokAt (++eval.iToken), 2048)) break; -property2 = this.paramAsStr (eval.iToken); -}if (JS.T.tokAttr (tokKey = this.tokAt (eval.iToken + 1), 1077936128)) mapKey = this.paramAsStr (++eval.iToken); +if (this.tokAt (++e.iToken) != 1073742336 || !JS.T.tokAttr (tokProp1 = this.tokAt (++e.iToken), 1077936128)) break; +property1 = this.paramAsStr (e.iToken); +bsTo = this.atomExpressionAt (++e.iToken); +if (this.tokAt (++e.iToken) != 1073742336 || !JS.T.tokAttr (tokProp2 = this.tokAt (++e.iToken), 2048)) break; +property2 = this.paramAsStr (e.iToken); +}if (JS.T.tokAttr (tokKey = this.tokAt (e.iToken + 1), 1077936128)) mapKey = this.paramAsStr (++e.iToken); else mapKey = JS.T.nameOf (tokKey = 1094715393); -eval.checkLast (eval.iToken); +e.checkLast (e.iToken); if (this.chk) return; var bsOut = null; this.showString ("mapping " + property1.toUpperCase () + " for " + bsFrom.cardinality () + " atoms to " + property2.toUpperCase () + " for " + bsTo.cardinality () + " atoms using " + mapKey.toUpperCase ()); @@ -1972,19 +2040,19 @@ if (JU.Logger.debugging) JU.Logger.debug (sb.toString ()); var bsSubset = JU.BSUtil.copy (this.vwr.slm.bsSubset); this.vwr.slm.setSelectionSubset (bsTo); try { -eval.runScript (sb.toString ()); +e.runScript (sb.toString ()); } catch (e$$) { if (Clazz.exceptionOf (e$$, Exception)) { var ex = e$$; { this.vwr.slm.setSelectionSubset (bsSubset); -eval.errorStr (-1, "Error: " + ex.getMessage ()); +e.errorStr (-1, "Error: " + ex.getMessage ()); } } else if (Clazz.exceptionOf (e$$, Error)) { var er = e$$; { this.vwr.slm.setSelectionSubset (bsSubset); -eval.errorStr (-1, "Error: " + er.toString ()); +e.errorStr (-1, "Error: " + er.toString ()); } } else { throw e$$; @@ -2004,7 +2072,7 @@ var crit = 0; var addHydrogen = false; var isSilent = false; var bsFixed = null; -var isOnly = false; +var noRange = false; var minimizer = this.vwr.getMinimizer (false); for (var i = 1; i < this.slen; i++) switch (this.getToken (i).tok) { case 1073741828: @@ -2054,14 +2122,14 @@ if (i + 1 == this.slen) return; continue; case 10: case 1073742325: -isOnly = true; +noRange = true; case 1275082245: if (this.e.theTok == 1275082245) i++; bsSelected = this.atomExpressionAt (i); i = this.e.iToken; if (this.tokAt (i + 1) == 1073742072) { i++; -isOnly = true; +noRange = true; }continue; case 1073742148: isSilent = true; @@ -2075,7 +2143,7 @@ break; } if (!this.chk) try { -this.vwr.minimize (this.e, steps, crit, bsSelected, bsFixed, 0, addHydrogen, isOnly, isSilent, false); +this.vwr.minimize (this.e, steps, crit, bsSelected, bsFixed, 0, (addHydrogen ? 8 : 0) | (noRange ? 16 : 0) | (isSilent ? 1 : 0)); } catch (e1) { if (Clazz.exceptionOf (e1, Exception)) { throw new JS.ScriptInterruption (this.e, "minimize", 1); @@ -2343,15 +2411,15 @@ if (!this.chk && !this.vwr.isJmolDataFrame ()) this.vwr.tm.navigateList (eval, l }); Clazz.defineMethod (c$, "plot", function (args) { -var eval = this.e; +var e = this.e; var modelIndex = this.vwr.am.cmi; -if (modelIndex < 0) eval.errorStr (30, "plot"); +if (modelIndex < 0) e.errorStr (30, "plot"); modelIndex = this.vwr.ms.getJmolDataSourceFrame (modelIndex); var pt = args.length - 1; var isReturnOnly = (args !== this.st); var pdbFormat = true; var statementSave = this.st; -if (isReturnOnly) eval.st = this.st = args; +if (isReturnOnly) e.st = this.st = args; var tokCmd = (isReturnOnly ? 134222350 : args[0].tok); var pt0 = (isReturnOnly || tokCmd == 134221850 || tokCmd == 4138 ? 0 : 1); var filename = null; @@ -2378,10 +2446,10 @@ filename = this.stringParameter (pt--); filename = this.paramAsStr (pt - 2) + "." + this.paramAsStr (pt); pt -= 3; } else { -eval.st = this.st = statementSave; -eval.iToken = this.st.length; +e.st = this.st = statementSave; +e.iToken = this.st.length; this.error (13); -}eval.slen = this.slen = pt + 1; +}e.slen = this.slen = pt + 1; break; } var qFrame = ""; @@ -2395,7 +2463,7 @@ var props = new Array (3); var propToks = Clazz.newIntArray (3, 0); var bs = JU.BSUtil.copy (this.vwr.bsA ()); var preSelected = "; select " + JU.Escape.eBS (bs) + ";\n "; -var type = eval.optParameterAsString (pt).toLowerCase (); +var type = e.optParameterAsString (pt).toLowerCase (); var minXYZ = null; var maxXYZ = null; var format = null; @@ -2403,23 +2471,23 @@ var tok = JS.CmdExt.tokAtArray (pt0, args); if (tok == 4) tok = JS.T.getTokFromName (args[pt0].value); switch (tok) { default: -eval.iToken = 1; +e.iToken = 1; this.invArg (); break; case 134221834: -eval.iToken = 1; +e.iToken = 1; type = "data"; preSelected = ""; break; case 1715472409: -eval.iToken = pt0 + 1; +e.iToken = pt0 + 1; for (var i = 0; i < 3; i++) { -switch (this.tokAt (eval.iToken)) { +switch (this.tokAt (e.iToken)) { case 4: -propToks[i] = JS.T.getTokFromName (eval.getToken (eval.iToken).value); +propToks[i] = JS.T.getTokFromName (e.getToken (e.iToken).value); break; default: -propToks[i] = this.tokAt (eval.iToken); +propToks[i] = this.tokAt (e.iToken); break; case 0: if (i == 0) this.invArg (); @@ -2430,19 +2498,19 @@ i = 2; continue; } if (propToks[i] != 1715472409 && !JS.T.tokAttr (propToks[i], 1077936128)) this.invArg (); -props[i] = this.getToken (eval.iToken).value.toString (); -eval.iToken++; +props[i] = this.getToken (e.iToken).value.toString (); +e.iToken++; } -if (this.tokAt (eval.iToken) == 1287653388) { -format = this.stringParameter (++eval.iToken); +if (this.tokAt (e.iToken) == 1287653388) { +format = this.stringParameter (++e.iToken); pdbFormat = false; -eval.iToken++; -}if (this.tokAt (eval.iToken) == 32) { -minXYZ = this.getPoint3f (++eval.iToken, false); -eval.iToken++; -}if (this.tokAt (eval.iToken) == 64) { -maxXYZ = this.getPoint3f (++eval.iToken, false); -eval.iToken++; +e.iToken++; +}if (this.tokAt (e.iToken) == 32) { +minXYZ = this.getPoint3f (++e.iToken, false); +e.iToken++; +}if (this.tokAt (e.iToken) == 64) { +maxXYZ = this.getPoint3f (++e.iToken, false); +e.iToken++; }type = "property " + props[0] + (props[1] == null ? "" : " " + props[1]) + (props[2] == null ? "" : " " + props[2]); if (bs.nextSetBit (0) < 0) bs = this.vwr.getModelUndeletedAtomsBitSet (modelIndex); stateScript = "select " + JU.Escape.eBS (bs) + ";\n "; @@ -2450,7 +2518,7 @@ break; case 4138: if (type.equalsIgnoreCase ("draw")) { isDraw = true; -type = eval.optParameterAsString (--pt).toLowerCase (); +type = e.optParameterAsString (--pt).toLowerCase (); }isRamachandranRelative = (pt > pt0 && type.startsWith ("r")); type = "ramachandran" + (isRamachandranRelative ? " r" : "") + (tokCmd == 135176 ? " draw" : ""); break; @@ -2461,7 +2529,7 @@ stateScript = "set quaternionFrame" + qFrame + ";\n "; isQuaternion = true; if (type.equalsIgnoreCase ("draw")) { isDraw = true; -type = eval.optParameterAsString (--pt).toLowerCase (); +type = e.optParameterAsString (--pt).toLowerCase (); }isDerivative = (type.startsWith ("deriv") || type.startsWith ("diff")); isSecondDerivative = (isDerivative && type.indexOf ("2") > 0); if (isDerivative) pt--; @@ -2469,9 +2537,9 @@ if (type.equalsIgnoreCase ("helix") || type.equalsIgnoreCase ("axis")) { isDraw = true; isDerivative = true; pt = -1; -}type = ((pt <= pt0 ? "" : eval.optParameterAsString (pt)) + "w").substring (0, 1); +}type = ((pt <= pt0 ? "" : e.optParameterAsString (pt)) + "w").substring (0, 1); if (type.equals ("a") || type.equals ("r")) isDerivative = true; -if (!JU.PT.isOneOf (type, ";w;x;y;z;r;a;")) eval.evalError ("QUATERNION [w,x,y,z,a,r] [difference][2]", null); +if (!JU.PT.isOneOf (type, ";w;x;y;z;r;a;")) e.evalError ("QUATERNION [w,x,y,z,a,r] [difference][2]", null); type = "quaternion " + type + (isDerivative ? " difference" : "") + (isSecondDerivative ? "2" : "") + (isDraw ? " draw" : ""); break; } @@ -2535,7 +2603,7 @@ var data = (type.equals ("data") ? "1 0 H 0 0 0 # Jmol PDB-encoded data" : this. if (tokCmd == 134222350) return data; if (JU.Logger.debugging) JU.Logger.debug (data); if (tokCmd == 135176) { -eval.runScript (data); +e.runScript (data); return ""; }var savedFileInfo = this.vwr.fm.getFileInfo (); var oldAppendNew = this.vwr.getBoolean (603979792); @@ -2571,10 +2639,10 @@ var color = (JU.C.getHexCode (this.vwr.cm.colixBackgroundContrast)); script = "frame 0.0; frame last; reset;select visible; wireframe 0; spacefill 3.0; isosurface quatSphere" + modelCount + " color " + color + " sphere 100.0 mesh nofill frontonly translucent 0.8;" + "draw quatAxis" + modelCount + "X {100 0 0} {-100 0 0} color red \"x\";" + "draw quatAxis" + modelCount + "Y {0 100 0} {0 -100 0} color green \"y\";" + "draw quatAxis" + modelCount + "Z {0 0 100} {0 0 -100} color blue \"z\";" + "color structure;" + "draw quatCenter" + modelCount + "{0 0 0} scale 0.02;"; break; } -eval.runScript (script + preSelected); +e.runScript (script + preSelected); ss.setModelIndex (this.vwr.am.cmi); this.vwr.setRotationRadius (radius, true); -eval.sm.loadShape (31); +e.sm.loadShape (31); this.showString ("frame " + this.vwr.getModelNumberDotted (modelCount - 1) + (type.length > 0 ? " created: " + type + (isQuaternion ? qFrame : "") : "")); return ""; }, "~A"); @@ -2645,7 +2713,7 @@ case 7: if (id == null || needsGenerating) this.invArg (); needsGenerating = true; faces = this.getIntArray2 (i); -points = this.getAllPoints (eval.iToken + 1); +points = this.getAllPoints (eval.iToken + 1, 3); i = eval.iToken; if (Clazz.instanceOf (points[0], JM.Atom)) this.setShapeProperty (21, "model", Integer.$valueOf ((points[0]).getModelIndex ())); propertyName = "definedFaces"; @@ -3064,8 +3132,8 @@ type = "ZIPALL"; type = "HISTORY"; }if (type.equals ("COORD") || type.equals ("COORDS")) type = (fileName != null && fileName.indexOf (".") >= 0 ? fileName.substring (fileName.lastIndexOf (".") + 1).toUpperCase () : "XYZ"); }if (scripts != null) { +if (!JV.FileManager.isJmolType (type)) this.invArg (); if (type.equals ("PNG")) type = "PNGJ"; -if (!type.equals ("PNGJ") && !type.equals ("ZIPALL") && !type.equals ("ZIP")) this.invArg (); }if (!isImage && !isExport && !JU.PT.isOneOf (type, ";SCENE;JMOL;ZIP;ZIPALL;SPT;HISTORY;MO;NBO;ISOSURFACE;MESH;PMESH;PMB;ISOMESHBIN;ISOMESH;VAR;FILE;FUNCTION;CFI;CIF;CML;JSON;XYZ;XYZRN;XYZVIB;MENU;MOL;MOL67;PDB;PGRP;PQR;QUAT;RAMA;SDF;V2000;V3000;QCJSON;INLINE;")) eval.errorStr2 (54, "COORDS|FILE|FUNCTIONS|HISTORY|IMAGE|INLINE|ISOSURFACE|JMOL|MENU|MO|NBO|POINTGROUP|QUATERNION [w,x,y,z] [derivative]|RAMACHANDRAN|SPT|STATE|VAR x|ZIP|ZIPALL CLIPBOARD", "CIF|CML|CFI|GIF|GIFT|JPG|JPG64|JMOL|JVXL|MESH|MOL|PDB|PMESH|PNG|PNGJ|PNGT|PPM|PQR|SDF|CD|JSON|QCJSON|V2000|V3000|SPT|XJVXL|XYZ|XYZRN|XYZVIB|ZIP" + driverList.toUpperCase ().$replace (';', '|')); if (this.chk) return ""; var fullPath = new Array (1); @@ -3365,10 +3433,16 @@ this.vwr.shm.getShapePropertyData (21, "allInfo", info); msg = JS.SV.getVariable (info[1]).asString (); }break; case 1073742038: -{ if (!this.chk) this.vwr.getNMRPredict (eval.optParameterAsString (2)); return; -}case 1073741929: +case 603983903: +if (!this.chk && this.slen == 3) { +msg = "" + this.vwr.getModelkitProperty (eval.stringParameter (2)); +len = 3; +}break; +case 1275068433: +case 1073741978: +case 1073741929: case 1073741879: case 134218757: this.checkLength ((tok == 1073741879 || tok == 134218757 && this.tokAt (2) == 1073742335 ? len = 3 : 2) + filterLen); @@ -3381,19 +3455,30 @@ msg = this.vwr.getModelInfo ("formula"); if (msg != null) msg = JU.PT.rep (msg, " ", ""); }}if (msg == null) { try { -if (tok != 134218757) { -msg = this.vwr.ms.getModelDataBaseName (this.vwr.bsA ()); -if (msg != null && (msg.startsWith ("$") || msg.startsWith (":"))) { -msg = msg.substring (1); -} else { -msg = null; -}} else if (param2.equalsIgnoreCase ("true")) { +switch (tok) { +case 1275068433: +msg = this.vwr.getInchi (this.vwr.bsA (), null, null); +break; +case 1073741978: +msg = this.vwr.getInchi (this.vwr.bsA (), null, "key"); +break; +case 134218757: +if (param2.equalsIgnoreCase ("true")) { msg = this.vwr.getBioSmiles (null); filter = null; } else if (filter != null) { msg = this.vwr.getSmilesOpt (null, -1, -1, 1, filter + "///"); filter = null; -}if (msg == null) { +}break; +default: +msg = this.vwr.ms.getModelDataBaseName (this.vwr.bsA ()); +if (msg != null && (msg.startsWith ("$") || msg.startsWith (":"))) { +msg = msg.substring (1); +} else { +msg = null; +}break; +} +if (msg == null) { var level = JU.Logger.getLogLevel (); JU.Logger.setLogLevel (4); msg = (tok == 134218757 ? this.vwr.getSmiles (null) : this.vwr.getOpenSmiles (null)); @@ -3442,7 +3527,7 @@ info = this.vwr.getSymTemp ().getSpaceGroupInfo (this.vwr.ms, JU.PT.rep (sg, "'' msg = (tok == 134217764 ? "" + info.get ("spaceGroupInfo") + info.get ("spaceGroupNote") : "") + info.get ("symmetryInfo"); break; }var iop = (this.tokAt (2) == 2 ? this.intParameter (2) : 0); -var xyz = (this.tokAt (2) == 4 ? this.paramAsStr (2) : null); +var xyz = (this.tokAt (2) == 4 || this.tokAt (2) == 12 ? this.paramAsStr (2) : null); var pt1 = null; var pt2 = null; var nth = -1; @@ -3453,16 +3538,15 @@ if (ret[0] != null && ret[0].cardinality () == 0) { len = this.slen; break; }ret[0] = null; -if (iop == 0) { pt2 = eval.centerParameter (++eval.iToken, ret); if (ret[0] != null && ret[0].cardinality () == 0) { len = this.slen; break; -}}if (this.tokAt (eval.iToken + 1) == 2) nth = eval.getToken (++eval.iToken).intValue; +}if (iop == 0 && this.tokAt (eval.iToken + 1) == 2) nth = eval.getToken (++eval.iToken).intValue; }var type = (eval.iToken > 1 && this.tokAt (eval.iToken + 1) == 4 ? this.stringParameter (++eval.iToken) : null); this.checkLength ((len = ++eval.iToken) + filterLen); if (!this.chk) { -var o = this.vwr.getSymmetryInfo (this.vwr.getAllAtoms ().nextSetBit (0), xyz, iop, pt1, pt2, 0, type, 0, nth, 0); +var o = this.vwr.getSymmetryInfo (this.vwr.getAllAtoms ().nextSetBit (0), xyz, iop, null, pt1, pt2, 0, type, 0, nth, 0); msg = (Clazz.instanceOf (o, java.util.Map) ? JS.SV.getVariable (o).asString () : o.toString ()); }break; case 1648363544: @@ -3582,7 +3666,7 @@ case 1612709894: msg = "set selectHetero " + this.vwr.getBoolean (1612709894); break; case 1073741828: -msg = JU.Escape.eAP (this.vwr.getAdditionalHydrogens (null, true, true, null)); +msg = JU.Escape.eAP (this.vwr.getAdditionalHydrogens (null, null, 768)); break; case 1612709900: msg = "set selectHydrogens " + this.vwr.getBoolean (1612709900); @@ -3610,7 +3694,7 @@ break; if (!this.chk) msg = this.vwr.stm.getSavedCoordinates (nameC); break; case 1073742158: -if (!this.chk && eval.outputBuffer == null) this.vwr.sm.clearConsole (); +if (!this.chk && eval.outputBuffer == null && filter == null) this.vwr.sm.clearConsole (); if ((len = this.slen) == 2) { if (!this.chk) msg = this.vwr.getStateInfo (); break; @@ -3889,7 +3973,7 @@ if (s.indexOf (",") >= 0 || this.chk) { newUC = s; break; }var stype = null; -eval.setCurrentCagePts (null, null); +eval.setModelCagePts (-1, null, null); newUC = this.vwr.getModelInfo ("unitcell_conventional"); if (JU.PT.isOneOf (ucname, ";parent;standard;primitive;")) { if (newUC == null && this.vwr.getModelInfo ("isprimitive") != null) { @@ -3899,7 +3983,7 @@ return; }if (Clazz.instanceOf (newUC, Array)) { oabc = newUC; }if (stype == null) stype = this.vwr.getModelInfo ("latticeType"); -if (newUC != null) eval.setCurrentCagePts (this.vwr.getV0abc (newUC), "" + newUC); +if (newUC != null) eval.setModelCagePts (-1, this.vwr.getV0abc (-1, newUC), "" + newUC); if (!ucname.equals ("conventional")) { s = this.vwr.getModelInfo ("unitcell_" + ucname); if (s == null) { @@ -3909,7 +3993,7 @@ var scale = (this.slen == i + 1 ? 1 : this.tokAt (i + 1) == 2 ? this.intParamete var u = this.vwr.getCurrentUnitCell (); ucname = (u == null ? "" : u.getSpaceGroupName () + " ") + ucname; oabc = (u == null ? Clazz.newArray (-1, [JU.P3.new3 (0, 0, 0), JU.P3.new3 (1, 0, 0), JU.P3.new3 (0, 1, 0), JU.P3.new3 (0, 0, 1)]) : u.getUnitCellVectors ()); -if (stype == null) stype = this.vwr.getSymmetryInfo (this.vwr.getFrameAtoms ().nextSetBit (0), null, 0, null, null, 1073741994, null, 0, -1, 0); +if (stype == null) stype = this.vwr.getSymmetryInfo (this.vwr.getFrameAtoms ().nextSetBit (0), null, 0, null, null, null, 1073741994, null, 0, -1, 0); if (u == null) u = this.vwr.getSymTemp (); u.toFromPrimitive (true, stype.length == 0 ? 'P' : stype.charAt (0), oabc, this.vwr.getCurrentModelAuxInfo ().get ("primitiveToCrystal")); if (!isPrimitive) { @@ -3964,7 +4048,7 @@ case 12290: case 10: case 1073742325: var iAtom = this.atomExpressionAt (i).nextSetBit (0); -if (!this.chk) this.vwr.am.cai = iAtom; +if (!this.chk) this.vwr.am.setUnitCellAtomIndex (iAtom); if (iAtom < 0) return; i = eval.iToken; break; @@ -3996,114 +4080,88 @@ i--; mad10 = eval.getSetAxesTypeMad10 (++i); eval.checkLast (eval.iToken); if (this.chk || mad10 == 2147483647) return; -if (mad10 == 2147483647) this.vwr.am.cai = -1; -if (oabc == null && newUC != null) oabc = this.vwr.getV0abc (newUC); +if (mad10 == 2147483647) this.vwr.am.setUnitCellAtomIndex (-1); +if (oabc == null && newUC != null) oabc = this.vwr.getV0abc (-1, newUC); if (icell != 2147483647) this.vwr.ms.setUnitCellOffset (this.vwr.getCurrentUnitCell (), null, icell); else if (id != null) this.vwr.setCurrentCage (id); - else if (isReset || oabc != null) eval.setCurrentCagePts (oabc, ucname); + else if (isReset || oabc != null) eval.setModelCagePts (-1, oabc, ucname); eval.setObjectMad10 (33, "unitCell", mad10); if (pt != null) this.vwr.ms.setUnitCellOffset (this.vwr.getCurrentUnitCell (), pt, 0); if (tickInfo != null) this.setShapeProperty (33, "tickInfo", tickInfo); }, "~N"); Clazz.defineMethod (c$, "assign", - function (i) { -var atomsOrBonds = this.tokAt (i++); + function () { +var isClick = (this.tokAt (this.slen - 1) == 1073742335); +var i = ++this.e.iToken; +var mode = this.tokAt (i); var index = -1; var index2 = -1; -if (atomsOrBonds == 1140850689 && this.tokAt (i) == 4) { -this.e.iToken++; +var isAtom = (mode == 1140850689); +var isBond = (mode == 1677721602); +var isConnect = (mode == 4106); +if (isAtom || isBond || isConnect) i++; + else mode = 1140850689; +var bsAtoms = this.vwr.getModelUndeletedAtomsBitSet (this.vwr.am.cmi); +var bs; +if (isBond) { +if (Clazz.instanceOf (this.getToken (i).value, JM.BondSet)) { +index = (this.getToken (i).value).nextSetBit (0); +} else { +bs = this.expFor (i, bsAtoms); +index = bs.nextSetBit (0); +switch (bs.cardinality ()) { +case 1: +bs = this.expFor (i = ++this.e.iToken, bsAtoms); +index2 = bs.nextSetBit (0); +if (index2 < 0) this.invArg (); +bs.set (index); +case 2: +bs = this.vwr.ms.getBondsForSelectedAtoms (bs, false); +if (bs.cardinality () > 0) { +index = bs.nextSetBit (0); } else { -index = this.atomExpressionAt (i).nextSetBit (0); +isConnect = true; +mode = 4106; +}break; +case 0: +default: +this.invArg (); +} +}i = ++this.e.iToken; +} else if (mode == 1140850689 && this.tokAt (i) == 4) { +} else { +bs = this.expFor (i, bsAtoms); +index = bs.nextSetBit (0); if (index < 0) { return; -}}var type = null; -if (atomsOrBonds == 4106) { -index2 = this.atomExpressionAt (++this.e.iToken).nextSetBit (0); -} else { -type = this.paramAsStr (++this.e.iToken); -}var pt = (++this.e.iToken < this.slen ? this.centerParameter (this.e.iToken) : null); +}i = ++this.e.iToken; +}var type = null; +if (!isConnect) { +type = this.e.optParameterAsString (i); +} else if (index2 < 0) { +bs = this.expFor (i, bsAtoms); +index2 = bs.nextSetBit (0); +}var pt = (++this.e.iToken < (isClick ? this.slen - 1 : this.slen) ? this.centerParameter (this.e.iToken) : null); if (this.chk) return; this.vwr.pushState (); -switch (atomsOrBonds) { +switch (mode) { case 1140850689: this.e.clearDefinedVariableAtomSets (); -this.assignAtom (index, pt, type); +this.vwr.getModelkit (false).cmdAssignAtom (index, pt, type, this.e.fullCommand, isClick); break; case 1677721602: -this.assignBond (index, (type + "p").charAt (0)); +this.vwr.getModelkit (false).cmdAssignBond (index, (type + "p").charAt (0), this.e.fullCommand); break; case 4106: -this.assignConnect (index, index2); +this.vwr.getModelkit (false).cmdAssignConnect (index, index2, this.e.fullCommand); } -}, "~N"); -Clazz.defineMethod (c$, "assignAtom", - function (atomIndex, pt, type) { -if (type.equals ("X")) this.vwr.setModelKitRotateBondIndex (-1); -if (atomIndex >= 0 && this.vwr.ms.at[atomIndex].mi != this.vwr.ms.mc - 1) return; -this.vwr.clearModelDependentObjects (); -var ac = this.vwr.ms.ac; -if (pt == null) { -if (atomIndex < 0) return; -this.vwr.sm.modifySend (atomIndex, this.vwr.ms.at[atomIndex].mi, 1, this.e.fullCommand); -this.vwr.setModelkitProperty ("assignAtom", Clazz.newArray (-1, [type, Clazz.newIntArray (-1, [atomIndex, 1, 1])])); -if (!JU.PT.isOneOf (type, ";Mi;Pl;X;")) this.vwr.ms.setAtomNamesAndNumbers (atomIndex, -ac, null); -this.vwr.sm.modifySend (atomIndex, this.vwr.ms.at[atomIndex].mi, -1, "OK"); -this.vwr.refresh (3, "assignAtom"); -return; -}var atom = (atomIndex < 0 ? null : this.vwr.ms.at[atomIndex]); -var bs = (atomIndex < 0 ? new JU.BS () : JU.BSUtil.newAndSetBit (atomIndex)); -var pts = Clazz.newArray (-1, [pt]); -var vConnections = new JU.Lst (); -var modelIndex = -1; -if (atom != null) { -vConnections.addLast (atom); -modelIndex = atom.mi; -this.vwr.sm.modifySend (atomIndex, modelIndex, 3, this.e.fullCommand); -}try { -bs = this.vwr.addHydrogensInline (bs, vConnections, pts); -var atomIndex2 = bs.nextSetBit (0); -this.vwr.setModelkitProperty ("assignAtom", Clazz.newArray (-1, [type, Clazz.newIntArray (-1, [atomIndex2, -1, atomIndex])])); -atomIndex = atomIndex2; -} catch (ex) { -if (Clazz.exceptionOf (ex, Exception)) { -} else { -throw ex; -} -} -this.vwr.ms.setAtomNamesAndNumbers (atomIndex, -ac, null); -this.vwr.sm.modifySend (atomIndex, modelIndex, -3, "OK"); -}, "~N,JU.P3,~S"); -Clazz.defineMethod (c$, "assignBond", - function (bondIndex, type) { -var modelIndex = -1; -try { -modelIndex = this.vwr.ms.bo[bondIndex].atom1.mi; -this.vwr.sm.modifySend (bondIndex, modelIndex, 2, this.e.fullCommand); -var bsAtoms = this.vwr.setModelkitProperty ("assignBond", Clazz.newIntArray (-1, [bondIndex, type])); -if (bsAtoms == null || type == '0') this.vwr.refresh (3, "setBondOrder"); -this.vwr.sm.modifySend (bondIndex, modelIndex, -2, "" + type); -} catch (ex) { -if (Clazz.exceptionOf (ex, Exception)) { -JU.Logger.error ("assignBond failed"); -this.vwr.sm.modifySend (bondIndex, modelIndex, -2, "ERROR " + ex); -} else { -throw ex; -} -} -}, "~N,~S"); -Clazz.defineMethod (c$, "assignConnect", - function (index, index2) { -this.vwr.clearModelDependentObjects (); -var connections = JU.AU.newFloat2 (1); -connections[0] = Clazz.newFloatArray (-1, [index, index2]); -var modelIndex = this.vwr.ms.at[index].mi; -this.vwr.sm.modifySend (index, modelIndex, 2, this.e.fullCommand); -this.vwr.ms.connect (connections); -this.vwr.setModelkitProperty ("assignAtom", Clazz.newArray (-1, [".", Clazz.newIntArray (-1, [index, 1, 1])])); -this.vwr.setModelkitProperty ("assignAtom", Clazz.newArray (-1, [".", Clazz.newIntArray (-1, [index2, 1, 1])])); -this.vwr.sm.modifySend (index, modelIndex, -2, "OK"); -this.vwr.refresh (3, "assignConnect"); -}, "~N,~N"); +}); +Clazz.defineMethod (c$, "expFor", + function (i, bsAtoms) { +var bs = JU.BS.copy (this.atomExpressionAt (i)); +bs.and (bsAtoms); +return bs; +}, "~N,JU.BS"); Clazz.defineMethod (c$, "getContext", function (withVariables) { var sb = new JU.SB (); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/IsoExt.js b/qmpy/web/static/js/jsmol/j2s/JS/IsoExt.js index e0e68b1b..5875b087 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/IsoExt.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/IsoExt.js @@ -240,7 +240,7 @@ default: type = eval.optParameterAsString (i); break; } -var scale = 1; +var scale = (intScale == 0 ? 1 : intScale / 100); var index = 0; if (type.length > 0) { if (this.isFloatParameter (++i)) index = this.intParameter (i++); @@ -340,8 +340,8 @@ if (tok == 1275203608) { faces = this.getIntArray2 (i); } else { faces = JU.AU.newInt2 (1); -faces[0] = eval.expandFloatArray (eval.floatParameterSet (i, -1, 2147483647), -1); -}points = this.getAllPoints (this.e.iToken + 1); +faces[0] = eval.expandFloatArray (eval.floatParameterSet (i, -1, 2147483647), -1, false); +}points = this.getAllPoints (this.e.iToken + 1, 3); try { polygons = (J.api.Interface.getInterface ("JU.MeshCapper", this.vwr, "script")).set (null).triangulateFaces (faces, points, null); } catch (e) { @@ -396,6 +396,7 @@ plane = null; var target = null; var bsAtoms = null; var options = 0; +var trans = null; if (tok == 1296041986) { iSym = 0; switch (this.tokAt (++i)) { @@ -407,8 +408,12 @@ xyz = JS.SV.sValue (this.getToken (i)); break; case 2: default: -if (!eval.isCenterParameter (i)) iSym = this.intParameter (i++); -var ret = Clazz.newArray (-1, [null, this.vwr.getFrameAtoms ()]); +if (!eval.isCenterParameter (i)) { +iSym = this.intParameter (i++); +if (eval.isArrayParameter (i)) { +trans = JU.P3.newA (eval.floatParameterSet (i, 3, 3)); +i = ++eval.iToken; +}}var ret = Clazz.newArray (-1, [null, this.vwr.getFrameAtoms ()]); if (eval.isCenterParameter (i)) center = eval.centerParameter (i, ret); if (eval.isCenterParameter (eval.iToken + 1)) target = eval.centerParameter (++eval.iToken, ret); if (this.chk) return; @@ -437,11 +442,11 @@ if (bsAtoms != null) { s = null; var iatom = bsAtoms.nextSetBit (0); if (options != 0) { -var o = this.vwr.getSymmetryInfo (iatom, xyz, iSym, center, target, 134217751, null, intScale / 100, nth, options); +var o = this.vwr.getSymmetryInfo (iatom, xyz, iSym, trans, center, target, 134217751, null, intScale / 100, nth, options); if (Clazz.instanceOf (o, JU.P3)) target = o; else s = ""; }if (thisId == null) thisId = "sym"; -if (s == null) s = this.vwr.getSymmetryInfo (iatom, xyz, iSym, center, target, 135176, thisId, intScale / 100, nth, options); +if (s == null) s = this.vwr.getSymmetryInfo (iatom, xyz, iSym, trans, center, target, 135176, thisId, intScale / 100, nth, options); }eval.runBufferedSafely (s.length > 0 ? s : "draw ID \"" + thisId + "_*\" delete", eval.outputBuffer); }return; case 4115: @@ -469,7 +474,7 @@ if (!havePoints && !isIntersect && tokIntersect == 0) { if (eval.theTok == 134219265) { havePoints = true; this.setShapeProperty (22, "plane", null); -plane = eval.hklParameter (++i); +plane = eval.hklParameter (++i, true); i = eval.iToken; propertyName = "coords"; var list = new JU.Lst (); @@ -484,7 +489,7 @@ iArray = i + 1; }if (eval.theTok == 134217750) { plane = eval.planeParameter (i); } else { -plane = eval.hklParameter (++i); +plane = eval.hklParameter (++i, false); }i = eval.iToken; if (tokIntersect != 0) { if (this.chk) break; @@ -720,13 +725,16 @@ if (moNumber == 0) moNumber = 2147483647; var propertyName = null; var propertyValue = null; var ignoreSquared = false; +var nboName = null; switch (this.getToken (i).tok) { case 1140850696: if (iShape == 1073877010) { this.mo (isInitOnly, 28); return; }nboType = this.paramAsStr (++i).toUpperCase (); -break; +if (eval.tokAt (i + 1) == 4) { +nboName = this.paramAsStr (++eval.iToken); +}break; case 1073741875: case 554176565: propertyName = eval.theToken.value; @@ -823,8 +831,14 @@ propertyValue = this.paramAsStr (i + 1); case 1073741824: this.invArg (); break; -default: -if (eval.isArrayParameter (i)) { +case 4: +if (isNBO && i == 1) { +nboName = eval.stringParameter (i); +break; +}default: +if (isNBO && eval.tokAt (i) == 4) { +nboName = this.paramAsStr (i++); +}if (eval.isArrayParameter (i)) { linearCombination = eval.floatParameterSet (i, 1, 2147483647); if (this.tokAt (eval.iToken + 1) == 1073742156) { ignoreSquared = false; @@ -840,9 +854,11 @@ return; if (propertyName != null) this.addShapeProperty (propertyList, propertyName, propertyValue); var haveMO = (moNumber != 2147483647 || linearCombination != null); if (this.chk) return; -if (nboType != null || haveMO) { -if (haveMO && this.tokAt (eval.iToken + 1) == 4) title = this.paramAsStr (++eval.iToken); -eval.setCursorWait (true); +if (nboType != null || nboName != null || haveMO) { +if (haveMO && this.tokAt (eval.iToken + 1) == 4) { +title = this.paramAsStr (++eval.iToken); +}eval.setCursorWait (true); +if (nboType != null || nboName != null) nboType = nboType + ":" + nboName; this.setMoData (propertyList, moNumber, linearCombination, offset, isNegOffset, iModel, title, nboType, isBeta); if (haveMO) { this.addShapeProperty (propertyList, "finalize", null); @@ -863,11 +879,39 @@ moLabel = "" + moNumber; }, "~B,~N"); Clazz.defineMethod (c$, "setNBOType", function (moData, type) { -var ext = JV.JC.getNBOTypeFromName (type); -if (ext < 0) this.invArg (); +var nboNumber = -1; +var name = null; +var pt = type.indexOf (":"); +if (pt > 0) { +name = type.substring (pt + 1); +type = type.substring (0, pt); +if (type.equals ("null")) type = null; +if (name.equals ("null")) name = null; +}if ((type == null ? 0 : JV.JC.getNBOTypeFromName (type)) < 0) this.invArg (); if (!moData.containsKey ("nboLabels")) this.error (27); -if (this.chk) return; -if (!(J.api.Interface.getInterface ("J.adapter.readers.quantum.GenNBOReader", this.vwr, "script")).readNBOCoefficients (moData, type, this.vwr)) this.error (27); +if (this.chk) return -1; +if (type != null && !(J.api.Interface.getInterface ("J.adapter.readers.quantum.GenNBOReader", this.vwr, "script")).readNBOCoefficients (moData, type, this.vwr)) this.error (27); +var auxFiles = moData.get ("auxFiles"); +var auxFiles0 = this.vwr.getCurrentModelAuxInfo ().get ("auxFiles"); +if (auxFiles0 == null) { +this.vwr.getCurrentModelAuxInfo ().put ("auxFiles", auxFiles); +} else { +auxFiles0.addAll (auxFiles); +}if (name != null) { +pt = name.indexOf ("."); +if (pt > 0) { +var ipt = JU.PT.parseInt (name.substring (pt + 1)); +name = name.substring (0, pt); +pt = ipt; +}var labels = moData.get ("nboLabels"); +for (var i = 0, n = labels.length; i < n; i++) { +if (name.equals (labels[i])) { +if (pt < 0 || --pt == 0) { +nboNumber = i + 1; +break; +}}} +if (nboNumber < 0) this.error (27); +}return nboNumber; }, "java.util.Map,~S"); Clazz.defineMethod (c$, "moCombo", function (propertyList) { @@ -896,7 +940,10 @@ if (modelIndex < 0) eval.errorStr (30, "MO isosurfaces"); if (moData == null) this.error (27); this.vwr.checkMenuUpdate (); if (nboType != null) { -this.setNBOType (moData, nboType); +var nboNumber = this.setNBOType (moData, nboType); +var nOrbitals = (moData.get ("nboLabels")).length; +eval.showString (nOrbitals + " orbitals of type " + nboType.substring (0, nboType.indexOf (":") + 1) + " modelIndex=" + this.vwr.getModelNumberDotted (modelIndex)); +if (nboNumber > 0) moNumber = nboNumber; if (lc == null && moNumber == 2147483647) return; }var mos = null; var mo; @@ -1001,7 +1048,7 @@ var isFrontOnly = false; var nbotype = null; var data = null; var cmd = null; -var thisSetNumber = -2147483648; +var thisSet = null; var nFiles = 0; var nX; var nY; @@ -1044,9 +1091,11 @@ if (isPmesh || isPlot3d) this.addShapeProperty (propertyList, "fileType", "Pmesh for (var i = eval.iToken; i < this.slen; ++i) { var propertyName = null; var propertyValue = null; -this.getToken (i); -if (eval.theTok == 1073741824) str = this.paramAsStr (i); -switch (eval.theTok) { +var tok = this.getToken (i).tok; +if (tok == 1073741824) { +str = this.paramAsStr (i); +if (str.equalsIgnoreCase ("map")) tok = 4125; +}switch (tok) { case 1073742148: isSilent = true; sbCommand.append (" silent"); @@ -1159,11 +1208,11 @@ propertyValue = Clazz.newArray (-1, [bsSelect, bs]); break; case 1610625028: case 134217759: -isDisplay = (eval.theTok == 1610625028); +isDisplay = (tok == 1610625028); if (isDisplay) { sbCommand.append (" display"); iptDisplayProperty = i; -var tok = this.tokAt (i + 1); +tok = this.tokAt (i + 1); if (tok == 0) continue; i++; this.addShapeProperty (propertyList, "token", Integer.$valueOf (1073742335)); @@ -1220,7 +1269,7 @@ break; case 1715472409: case 1073742190: onlyOneModel = eval.theToken.value; -var isVariable = (eval.theTok == 1073742190); +var isVariable = (tok == 1073742190); var tokProperty = this.tokAt (i + 1); if (mepOrMlp == null) { if (!surfaceObjectSeen && !isMapped && !planeSeen) { @@ -1279,7 +1328,7 @@ break; case 1094713359: case 1094717454: if (surfaceObjectSeen) this.invArg (); -modelIndex = (eval.theTok == 1094713359 ? this.intParameter (++i) : eval.modelNumberParameter (++i)); +modelIndex = (tok == 1094713359 ? this.intParameter (++i) : eval.modelNumberParameter (++i)); sbCommand.append (" modelIndex " + modelIndex); if (modelIndex < 0) { propertyName = "fixed"; @@ -1307,8 +1356,17 @@ sbCommand.append (" select " + JU.Escape.eBS (bs1)); bsSelect = propertyValue; if (modelIndex < 0 && bsSelect.nextSetBit (0) >= 0) modelIndex = this.vwr.ms.at[bsSelect.nextSetBit (0)].mi; }break; +case 2109448: +if (eval.getToken (++i).tok == 10) { +thisSet = eval.theToken.value; +} else { +thisSet = eval.expandFloatArray (eval.floatParameterSet (i, 1, 2147483647), 1, true); +}i = eval.iToken; +break; case 36867: -thisSetNumber = this.intParameter (++i); +var ns = this.intParameter (++i); +if (ns > 0) thisSet = JU.BSUtil.newAndSetBit (ns - 1); + else thisSet = new JU.BS (); break; case 12289: propertyName = "center"; @@ -1319,7 +1377,7 @@ break; case 1073742147: case 1765808134: idSeen = true; -if (eval.theTok == 1073742147) { +if (tok == 1073742147) { isSign = true; sbCommand.append (" sign"); this.addShapeProperty (propertyList, "sign", Boolean.TRUE); @@ -1439,7 +1497,7 @@ break; case 134219265: planeSeen = true; propertyName = "plane"; -propertyValue = eval.hklParameter (++i); +propertyValue = eval.hklParameter (++i, false); i = eval.iToken; sbCommand.append (" plane ").append (JU.Escape.eP4 (propertyValue)); break; @@ -1529,14 +1587,14 @@ continue; case 1073742036: propertyName = "nci"; sbCommand.append (" " + propertyName); -var tok = this.tokAt (i + 1); +tok = this.tokAt (i + 1); var isPromolecular = (tok != 1228935687 && tok != 4 && tok != 1073742032); propertyValue = Boolean.$valueOf (isPromolecular); if (isPromolecular) surfaceObjectSeen = true; break; case 1073742016: case 1073742022: -var isMep = (eval.theTok == 1073742016); +var isMep = (tok == 1073742016); propertyName = (isMep ? "mep" : "mlp"); sbCommand.append (" " + propertyName); var fname = null; @@ -1645,8 +1703,8 @@ isCavity = true; var cavityRadius = (this.isFloatParameter (i + 1) ? this.floatParameter (++i) : 1.2); var envelopeRadius = (this.isFloatParameter (i + 1) ? this.floatParameter (++i) : 10); if (this.chk) continue; -if (envelopeRadius > 10) { -eval.integerOutOfRange (0, 10); +if (envelopeRadius > 50) { +eval.integerOutOfRange (0, 50); return; }sbCommand.append (" cavity ").appendF (cavityRadius).append (" ").appendF (envelopeRadius); this.addShapeProperty (propertyList, "envelopeRadius", Float.$valueOf (envelopeRadius)); @@ -1717,7 +1775,7 @@ case 536870916: case 1073742041: sbCommand.append (" ").appendO (eval.theToken.value); propertyName = "debug"; -propertyValue = (eval.theTok == 536870916 ? Boolean.TRUE : Boolean.FALSE); +propertyValue = (tok == 536870916 ? Boolean.TRUE : Boolean.FALSE); break; case 12293: sbCommand.append (" fixed"); @@ -1731,7 +1789,7 @@ propertyValue = Boolean.TRUE; break; case 1073741966: case 1073741968: -var isFxyz = (eval.theTok == 1073741968); +var isFxyz = (tok == 1073741968); propertyName = "" + eval.theToken.value; var vxy = new JU.Lst (); propertyValue = vxy; @@ -1824,6 +1882,14 @@ vxy.addLast (fdata); sbCommand.append (" ").append (JU.Escape.e (fdata)); }}i = eval.iToken; break; +case 1073742188: +var isBS = this.e.isAtomExpression (++i); +var probes = this.getAllPoints (i, 1); +sbCommand.append (" value " + (isBS ? this.e.atomExpressionAt (i).toString () : JU.Escape.eAP (probes))); +propertyName = "probes"; +propertyValue = probes; +i = this.e.iToken; +break; case 1073741970: propertyName = "gridPoints"; sbCommand.append (" gridPoints"); @@ -1843,7 +1909,7 @@ case 1073741986: case 1073742100: sbCommand.append (" ").appendO (eval.theToken.value); propertyName = "pocket"; -propertyValue = (eval.theTok == 1073742100 ? Boolean.TRUE : Boolean.FALSE); +propertyValue = (tok == 1073742100 ? Boolean.TRUE : Boolean.FALSE); break; case 1073742002: propertyName = "lobe"; @@ -1909,13 +1975,13 @@ case 1073742135: case 1612709912: onlyOneModel = eval.theToken.value; var radius; -if (eval.theTok == 1073742028) { +if (tok == 1073742028) { propertyName = "molecular"; sbCommand.append (" molecular"); radius = (this.isFloatParameter (i + 1) ? this.floatParameter (++i) : 1.4); } else { this.addShapeProperty (propertyList, "bsSolvent", eval.lookupIdentifierValue ("solvent")); -propertyName = (eval.theTok == 1073742135 ? "sasurface" : "solvent"); +propertyName = (tok == 1073742135 ? "sasurface" : "solvent"); sbCommand.append (" ").appendO (eval.theToken.value); radius = (this.isFloatParameter (i + 1) ? this.floatParameter (++i) : this.vwr.getFloat (570425394)); }sbCommand.append (" ").appendF (radius); @@ -1930,6 +1996,11 @@ case 1073742032: this.addShapeProperty (propertyList, "fileType", "Mrc"); sbCommand.append (" mrc"); continue; +case 1140850696: +var s = eval.stringParameter (++i); +this.addShapeProperty (propertyList, "fileType", s); +sbCommand.append (" type \"" + s + "\""); +continue; case 1073742064: case 1073742062: this.addShapeProperty (propertyList, "fileType", "Obj"); @@ -2025,32 +2096,36 @@ this.addShapeProperty (propertyList, "filesData", filesData); break; case 545259556: case 545259557: +case 1073741914: case 4: var firstPass = (!surfaceObjectSeen && !planeSeen); -var filename; +var filename = null; propertyName = (firstPass && !isMapped ? "readFile" : "mapColor"); -if (eval.theTok == 4) { +if (tok == 4) { filename = this.paramAsStr (i); -} else { +} else if (tok == 1073741914) { +filename = "=density/"; +}if (filename == null || filename.length == 0 || filename.equals ("*") || filename.equals ("=")) { var pdbID = this.vwr.getPdbID (); if (pdbID == null) eval.errorStr (22, "no PDBID available"); -filename = "*" + (eval.theTok == 545259557 ? "*" : "") + pdbID; +filename = "*" + (tok == 545259557 ? "*" : "") + pdbID; }var checkWithin = false; -var isUppsala = false; if (filename.startsWith ("http://eds.bmc.uu.se/eds/dfs/cb/") && filename.endsWith (".omap")) { filename = (filename.indexOf ("_diff") >= 0 ? "*" : "") + "*" + filename.substring (32, 36); -}if (filename.startsWith ("*") || (isUppsala = filename.startsWith ("=")) && filename.length > 1) { -if (isUppsala) filename = filename.$replace ('=', '*'); +}if (filename.startsWith ("*") || filename.startsWith ("=")) { +var haveCutoff = (!Float.isNaN (cutoff) || !Float.isNaN (sigma)); var isFull = (filename.indexOf ("/full") >= 0); +if (isFull) filename = JU.PT.rep (filename, "/full", ""); if (filename.indexOf ("/diff") >= 0) filename = "*" + filename.substring (0, filename.indexOf ("/diff")); if (filename.startsWith ("**")) { -if (Float.isNaN (sigma)) this.addShapeProperty (propertyList, "sigma", Float.$valueOf (sigma = 3)); +if (!haveCutoff) this.addShapeProperty (propertyList, "sigma", Float.$valueOf (sigma = 3)); if (!isSign) { isSign = true; sbCommand.append (" sign"); this.addShapeProperty (propertyList, "sign", Boolean.TRUE); -}}if (!Float.isNaN (sigma)) this.showString ("using cutoff = " + sigma + " sigma"); -filename = this.vwr.setLoadFormat (filename, (isFull || pts == null ? '_' : '-'), false); +}}var fn = filename; +filename = this.vwr.setLoadFormat (filename, (this.chk ? '?' : isFull ? '_' : '-'), false); +if (filename == null) eval.errorStr (22, "error parsing filename: " + fn); checkWithin = !isFull; }if (checkWithin) { if (pts == null && ptWithin == 0) { @@ -2063,7 +2138,17 @@ sbCommand.append (" within 2.0 ").append (JU.Escape.eBS (bs)); }}if (pts != null && filename.indexOf ("/0,0,0/0,0,0?") >= 0) { filename = filename.$replace ("0,0,0/0,0,0", pts[0].x + "," + pts[0].y + "," + pts[0].z + "/" + pts[pts.length - 1].x + "," + pts[pts.length - 1].y + "," + pts[pts.length - 1].z); }if (firstPass) defaultMesh = true; -}if (firstPass && this.vwr.getP ("_fileType").equals ("Pdb") && Float.isNaN (sigma) && Float.isNaN (cutoff)) { +}var p = (filename == null ? -1 : filename.indexOf ("#-")); +if (Float.isNaN (sigma) && Float.isNaN (cutoff)) { +if ((p = filename.indexOf ("#-cutoff=")) >= 0) { +this.addShapeProperty (propertyList, "cutoff", Float.$valueOf (cutoff = Float.parseFloat (filename.substring (p + 9)))); +sbCommand.append (" cutoff " + cutoff); +} else if ((p = filename.indexOf ("#-sigma=")) >= 0) { +this.addShapeProperty (propertyList, "sigma", Float.$valueOf (sigma = Float.parseFloat (filename.substring (p + 8)))); +sbCommand.append (" sigma " + sigma); +}}if (!Float.isNaN (sigma)) this.showString ("using sigma = " + sigma); + else if (!Float.isNaN (cutoff)) this.showString ("using cutoff = " + cutoff); +if (firstPass && this.vwr.getP ("_fileType").equals ("Pdb") && Float.isNaN (sigma) && Float.isNaN (cutoff)) { this.addShapeProperty (propertyList, "sigma", Float.$valueOf (-1)); sbCommand.append (" sigma -1.0"); }if (filename.length == 0) { @@ -2153,11 +2238,11 @@ fixLattice = true; i++; }}break; default: -if (eval.theTok == 1073741824) { +if (tok == 1073741824) { propertyName = "thisID"; propertyValue = str; -}if (!eval.setMeshDisplayProperty (iShape, 0, eval.theTok)) { -if (JS.T.tokAttr (eval.theTok, 1073741824) && !idSeen) { +}if (!eval.setMeshDisplayProperty (iShape, 0, tok)) { +if (JS.T.tokAttr (tok, 1073741824) && !idSeen) { this.setShapeId (iShape, i, idSeen); i = eval.iToken; break; @@ -2166,7 +2251,7 @@ break; i = this.slen - 1; break; } -idSeen = (eval.theTok != 12291); +idSeen = (tok != 12291); if (isWild && surfaceObjectSeen) this.invArg (); if (propertyName != null) this.addShapeProperty (propertyList, propertyName, propertyValue); } @@ -2178,7 +2263,7 @@ this.addShapeProperty (propertyList, "sasurface", Float.$valueOf (0)); }if (planeSeen && !surfaceObjectSeen && !isMapped) { this.addShapeProperty (propertyList, "nomap", Float.$valueOf (0)); surfaceObjectSeen = true; -}if (thisSetNumber >= -1) this.addShapeProperty (propertyList, "getSurfaceSets", Integer.$valueOf (thisSetNumber - 1)); +}if (thisSet != null) this.addShapeProperty (propertyList, "getSurfaceSets", thisSet); if (discreteColixes != null) { this.addShapeProperty (propertyList, "colorDiscrete", discreteColixes); } else if ("sets".equals (colorScheme)) { @@ -2260,7 +2345,10 @@ if (doCalcVolume) this.showString (svol); if (doCalcArea) s += "\n" + sarea; if (doCalcVolume) s += "\n" + svol; }}if (s != null && !isSilent) this.showString (s); -}if (translucency != null) this.setShapeProperty (iShape, "translucency", translucency); +if (surfaceObjectSeen) { +s = this.getShapeProperty (iShape, "output"); +if (s != null && !isSilent) this.showString (s); +}}if (translucency != null) this.setShapeProperty (iShape, "translucency", translucency); this.setShapeProperty (iShape, "clear", null); if (toCache) this.setShapeProperty (iShape, "cache", null); if (!isSilent && !isDisplay && !haveSlab && eval.theTok != 12291) this.listIsosurface (iShape); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/MathExt.js b/qmpy/web/static/js/jsmol/j2s/JS/MathExt.js index f78dfb68..f1f51906 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/MathExt.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/MathExt.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JS"); -Clazz.load (null, "JS.MathExt", ["java.lang.Float", "$.Number", "java.util.Date", "$.Hashtable", "$.Random", "JU.AU", "$.BS", "$.CU", "$.Lst", "$.M4", "$.Measure", "$.OC", "$.P3", "$.P4", "$.PT", "$.Quat", "$.Rdr", "$.SB", "$.V3", "J.api.Interface", "J.atomdata.RadiusData", "J.bspt.PointIterator", "J.c.VDW", "J.i18n.GT", "JM.BondSet", "$.Measurement", "JS.SV", "$.ScriptParam", "$.T", "JU.BSUtil", "$.Escape", "$.JmolMolecule", "$.Logger", "$.Parser", "$.Point3fi", "$.SimpleUnitCell", "JV.FileManager", "$.JC", "$.Viewer"], function () { +Clazz.load (null, "JS.MathExt", ["java.lang.Float", "$.Number", "java.util.Date", "$.HashMap", "$.Hashtable", "$.Random", "JU.AU", "$.BS", "$.CU", "$.Lst", "$.M3", "$.M4", "$.Measure", "$.OC", "$.P3", "$.P4", "$.PT", "$.Quat", "$.Rdr", "$.SB", "$.V3", "J.api.Interface", "J.atomdata.RadiusData", "J.bspt.PointIterator", "J.c.VDW", "J.i18n.GT", "JM.BondSet", "$.Measurement", "JS.SV", "$.ScriptMathProcessor", "$.ScriptParam", "$.T", "JU.BSUtil", "$.Escape", "$.JmolMolecule", "$.Logger", "$.Parser", "$.Point3fi", "$.SimpleUnitCell", "JV.FileManager", "$.JC", "$.Viewer"], function () { c$ = Clazz.decorateAsClass (function () { this.vwr = null; this.e = null; @@ -19,13 +19,15 @@ return this; Clazz.defineMethod (c$, "evaluate", function (mp, op, args, tok) { switch (tok) { +case 134218760: +return (args.length >= 1 && args[0].tok == 4 ? mp.addXStr ((args.length == 1 ? new java.util.Date ().toString () : this.vwr.apiPlatform.getDateFormat (JS.SV.sValue (args[1]))) + "\t" + JS.SV.sValue (args[0]).trim ()) : mp.addXInt (((System.currentTimeMillis () - JS.MathExt.t0)) - (args.length == 0 ? 0 : args[0].asInt ()))); case 134218250: +return (args.length == 1 && args[0].tok == 2 ? mp.addXInt (args[0].intValue) : mp.addXFloat (Math.abs (args[0].asFloat ()))); case 134218242: case 134218245: -case 134217749: case 134218244: case 134218246: -return this.evaluateMath (mp, args, tok); +return (args.length == 1 && this.evaluateMath (mp, args, tok)); case 1275069441: case 1275068928: case 1275068929: @@ -75,6 +77,8 @@ case 134222849: return this.evaluateLoad (mp, args, tok == 1228935687); case 1275068427: return this.evaluateFind (mp, args); +case 1275068433: +return this.evaluateInChI (mp, args); case 1287653388: case 1825200146: return this.evaluateFormat (mp, op.intValue, args, tok == 1825200146); @@ -200,6 +204,8 @@ default: return false; } break; +case 0: +return mp.addXObj (this.vwr.ms.getPointGroupInfo (null)); default: return false; } @@ -234,7 +240,7 @@ for (var i = 0; i < 4; i++) ucnew[i] = new JU.P3 (); JU.SimpleUnitCell.setOabc (s, null, ucnew); } else if (s.indexOf (",") >= 0) { -return mp.addXObj (this.vwr.getV0abc (s)); +return mp.addXObj (this.vwr.getV0abc (-1, s)); }break; } var u = null; @@ -287,7 +293,7 @@ var toPrimitive = "primitive".equalsIgnoreCase (op); if (toPrimitive || "conventional".equalsIgnoreCase (op)) { var stype = (++ptParam > lastParam ? "" : args[ptParam].asString ().toUpperCase ()); if (stype.equals ("BCC")) stype = "I"; - else if (stype.length == 0) stype = this.vwr.getSymmetryInfo (iatom, null, 0, null, null, 1073741994, null, 0, -1, 0); + else if (stype.length == 0) stype = this.vwr.getSymmetryInfo (iatom, null, 0, null, null, null, 1073741994, null, 0, -1, 0); if (stype == null || stype.length == 0) return false; if (u == null) u = this.vwr.getSymTemp (); var m3 = this.vwr.getModelForAtomIndex (iatom).auxiliaryInfo.get ("primitiveToCrystal"); @@ -456,19 +462,15 @@ var sOpt = JS.SV.sValue (args[args.length - 1]); var isStdDev = sOpt.equalsIgnoreCase ("stddev"); var isIsomer = sOpt.equalsIgnoreCase ("ISOMER"); var isBonds = sOpt.equalsIgnoreCase ("BONDS"); -var isSmiles = (!isIsomer && args.length > (isStdDev ? 3 : 2)); +var isPoints = (args[0].tok == 7 && args[1].tok == 7); +var isSmiles = (!isPoints && !isIsomer && args.length > (isStdDev ? 3 : 2)); var bs1 = (args[0].tok == 10 ? args[0].value : null); var bs2 = (args[1].tok == 10 ? args[1].value : null); var smiles1 = (bs1 == null ? JS.SV.sValue (args[0]) : ""); var smiles2 = (bs2 == null ? JS.SV.sValue (args[1]) : ""); -var m = new JU.M4 (); stddev = NaN; -var ptsA; -var ptsB; try { -if (isSmiles) { -if (bs1 == null || bs2 == null) return false; -}if (isBonds) { +if (isBonds) { if (args.length != 4) return false; smiles1 = JS.SV.sValue (args[2]); isSmiles = smiles1.equalsIgnoreCase ("SMILES"); @@ -517,17 +519,23 @@ check = ((ret).nextSetBit (0) >= 0); }if (bs1 == null || bs2 == null) return mp.addXStr ("IDENTICAL"); stddev = this.e.getSmilesExt ().getSmilesCorrelation (bs1, bs2, smiles1, null, null, null, null, false, null, null, false, 1); return mp.addXStr (stddev < 0.2 ? "IDENTICAL" : "IDENTICAL or CONFORMATIONAL ISOMERS (RMSD=" + stddev + ")"); -}if (isSmiles) { -ptsA = new JU.Lst (); -ptsB = new JU.Lst (); +}var m = new JU.M4 (); +var ptsA = null; +var ptsB = null; +if (isSmiles) { +if (bs1 == null || bs2 == null) return false; sOpt = JS.SV.sValue (args[2]); var isMap = sOpt.equalsIgnoreCase ("MAP"); isSmiles = sOpt.equalsIgnoreCase ("SMILES"); var isSearch = (isMap || sOpt.equalsIgnoreCase ("SMARTS")); if (isSmiles || isSearch) sOpt = (args.length > (isStdDev ? 4 : 3) ? JS.SV.sValue (args[3]) : null); var hMaps = (("H".equalsIgnoreCase (sOpt) || "allH".equalsIgnoreCase (sOpt) || "bestH".equalsIgnoreCase (sOpt))); -var isPolyhedron = ("polyhedra".equalsIgnoreCase (sOpt)); -if (isPolyhedron) sOpt = (args.length > (isStdDev ? 5 : 4) ? JS.SV.sValue (args[4]) : null); +var isPolyhedron = !hMaps && ("polyhedra".equalsIgnoreCase (sOpt) || "polyhedron".equalsIgnoreCase (sOpt)); +if (isPolyhedron) { +stddev = this.e.getSmilesExt ().mapPolyhedra (bs1.nextSetBit (0), bs2.nextSetBit (0), isSmiles, m); +} else { +ptsA = new JU.Lst (); +ptsB = new JU.Lst (); var allMaps = (("all".equalsIgnoreCase (sOpt) || "allH".equalsIgnoreCase (sOpt))); var bestMap = (("best".equalsIgnoreCase (sOpt) || "bestH".equalsIgnoreCase (sOpt))); if ("stddev".equals (sOpt)) sOpt = null; @@ -550,8 +558,20 @@ for (var j = 0; j < nAtoms; j++, pt++) a[j] = Clazz.newIntArray (-1, [(ptsA.get } return (allMaps ? mp.addXList (ret) : ret.size () > 0 ? mp.addXAII (ret.get (0)) : mp.addXStr ("")); -}} else { -switch (args.length) { +}}}if (isPoints) { +ptsA = this.e.getPointVector (args[0], 3); +ptsB = this.e.getPointVector (args[1], 3); +var a = (args.length >= 3 ? args[2].getList () : null); +var na = args.length; +if (a != null) { +na--; +var n = a.size (); +if (n != ptsA.size () || n != ptsB.size ()) return false; +var list = new JU.Lst (); +for (var i = 0; i < n; i++) list.addLast (ptsA.get (a.get (i).intValue)); + +ptsA = list; +}switch (na) { case 2: break; case 3: @@ -559,9 +579,7 @@ if (isStdDev) break; default: return false; } -ptsA = this.e.getPointVector (args[0], 0); -ptsB = this.e.getPointVector (args[1], 0); -if (ptsA != null && ptsB != null) { +if (ptsA != null && ptsB != null && ptsA.size () == ptsB.size ()) { J.api.Interface.getInterface ("JU.Eigen", this.vwr, "script"); stddev = JU.Measure.getTransformMatrix4 (ptsA, ptsB, m, null); }}return (isStdDev || Float.isNaN (stddev) ? mp.addXFloat (stddev) : mp.addXM4 (m.round (1e-7))); @@ -757,7 +775,7 @@ var a = JU.P3.newP (mp.ptValue (x1, null)); a.cross (a, mp.ptValue (x2, null)); return mp.addXPt (a); }var pt2 = (x2.tok == 7 ? null : mp.ptValue (x2, null)); -var plane2 = mp.planeValue (x2); +var plane2 = JS.ScriptMathProcessor.planeValue (x2); var f = NaN; try { if (isDist) { @@ -823,7 +841,7 @@ return mp.addXAF (data); } } }var pt1 = mp.ptValue (x1, null); -var plane1 = mp.planeValue (x1); +var plane1 = JS.ScriptMathProcessor.planeValue (x1); if (isDist) { if (plane2 != null && x3 != null) f = JU.Measure.directedDistanceToPlane (pt1, plane2, JS.SV.ptValue (x3)); else f = (plane1 == null ? (plane2 == null ? pt2.distance (pt1) : JU.Measure.distanceToPlane (plane2, pt1)) : JU.Measure.distanceToPlane (plane1, pt2)); @@ -878,15 +896,31 @@ Clazz.defineMethod (c$, "getHelixData", var iAtom = bs.nextSetBit (0); return (iAtom < 0 ? "null" : this.vwr.ms.at[iAtom].group.getHelixData (tokType, this.vwr.getQuaternionFrame (), this.vwr.getInt (553648144))); }, "JU.BS,~N"); +Clazz.defineMethod (c$, "evaluateInChI", + function (mp, args) { +var x1 = mp.getX (); +var flags = (args.length > 0 ? JS.SV.sValue (args[0]) : ""); +var atoms = JS.SV.getBitSet (x1, true); +var molData = null; +if (atoms == null) { +molData = JS.SV.sValue (x1); +}return mp.addXStr (this.vwr.getInchi (atoms, molData, flags)); +}, "JS.ScriptMathProcessor,~A"); Clazz.defineMethod (c$, "evaluateFind", function (mp, args) { var x1 = mp.getX (); var isList = (x1.tok == 7); +var isAtoms = (x1.tok == 10); var isEmpty = (args.length == 0); -var sFind = (isEmpty ? "" : JS.SV.sValue (args[0])); +var tok0 = (args.length == 0 ? 0 : args[0].tok); +var sFind = (isEmpty || tok0 != 4 ? "" : JS.SV.sValue (args[0])); +var isOff = (args.length > 1 && args[1].tok == 1073742334); +var tokLast = (tok0 == 0 ? 0 : args[args.length - 1].tok); +var argLast = (tokLast == 0 ? JS.SV.vF : args[args.length - 1]); +var isON = !isList && (tokLast == 1073742335); var flags = (args.length > 1 && args[1].tok != 1073742335 && args[1].tok != 1073742334 && args[1].tok != 10 ? JS.SV.sValue (args[1]) : ""); -var isSequence = !isList && sFind.equalsIgnoreCase ("SEQUENCE"); -var isSeq = !isList && sFind.equalsIgnoreCase ("SEQ"); +var isSequence = !isList && !isOff && sFind.equalsIgnoreCase ("SEQUENCE"); +var isSeq = !isList && !isOff && sFind.equalsIgnoreCase ("SEQ"); if (sFind.toUpperCase ().startsWith ("SMILES/")) { if (!sFind.endsWith ("/")) sFind += "/"; var s = sFind.substring (6) + "//"; @@ -905,19 +939,23 @@ var isSMARTS = !isList && sFind.equalsIgnoreCase ("SMARTS"); var isChemical = !isList && sFind.equalsIgnoreCase ("CHEMICAL"); var isMF = !isList && sFind.equalsIgnoreCase ("MF"); var isCF = !isList && sFind.equalsIgnoreCase ("CELLFORMULA"); -var argLast = (args.length > 0 ? args[args.length - 1] : JS.SV.vF); -var isON = !isList && (argLast.tok == 1073742335); +var isInchi = isAtoms && !isList && sFind.equalsIgnoreCase ("INCHI"); +var isInchiKey = isAtoms && !isList && sFind.equalsIgnoreCase ("INCHIKEY"); +var isStructureMap = (!isSmiles && !isSMARTS && tok0 == 10 && flags.toLowerCase ().indexOf ("map") >= 0); try { -if (isChemical) { -var bsAtoms = (x1.tok == 10 ? x1.value : null); +if (isInchi || isInchiKey) { +if (isInchiKey) flags += " key"; +return mp.addXStr (this.vwr.getInchi (JS.SV.getBitSet (x1, true), null, flags)); +}if (isChemical) { +var bsAtoms = (isAtoms ? x1.value : null); var data = (bsAtoms == null ? JS.SV.sValue (x1) : this.vwr.getOpenSmiles (bsAtoms)); data = (data.length == 0 ? "" : this.vwr.getChemicalInfo (data, flags.toLowerCase (), bsAtoms)).trim (); if (data.startsWith ("InChI")) data = JU.PT.rep (JU.PT.rep (data, "InChI=", ""), "InChIKey=", ""); return mp.addXStr (data); -}if (isSmiles || isSMARTS || x1.tok == 10) { -var iPt = (isSmiles || isSMARTS ? 2 : 1); +}if (isSmiles || isSMARTS || isAtoms) { +var iPt = (isStructureMap ? 0 : isSmiles || isSMARTS ? 2 : 1); var bs2 = (iPt < args.length && args[iPt].tok == 10 ? args[iPt++].value : null); -var asBonds = ("bonds".equalsIgnoreCase (JS.SV.sValue (args[args.length - 1]))); +var asBonds = ("bonds".equalsIgnoreCase (JS.SV.sValue (argLast))); var isAll = (asBonds || isON); var ret = null; switch (x1.tok) { @@ -937,7 +975,8 @@ case 3: asMap = JS.SV.bValue (args[2]); break; } -var justOne = (!asMap && (!allMappings || !isSMARTS && !pattern.equals ("chirality"))); +var isChirality = pattern.equals ("chirality"); +var justOne = (!asMap && (!allMappings || !isSMARTS && !isChirality)); try { ret = this.e.getSmilesExt ().getSmilesMatches (pattern, smiles, null, null, isSMARTS ? 2 : 1, !asMap, !allMappings); } catch (ex) { @@ -948,29 +987,111 @@ return mp.addXInt (-1); throw ex; } } -if (justOne) { -var len = (ret).length; +var len = (isChirality ? 1 : JU.AU.isAI (ret) ? (ret).length : (ret).length); +if (len == 0 && this.vwr.getSmilesMatcher ().getLastException () !== "MF_FAILED" && smiles.toLowerCase ().indexOf ("noaromatic") < 0 && smiles.toLowerCase ().indexOf ("strict") < 0) { +ret = this.e.getSmilesExt ().getSmilesMatches (pattern, smiles, null, null, 16 | (isSMARTS ? 2 : 1), !asMap, !allMappings); +}if (justOne) { return mp.addXInt (!allMappings && len > 0 ? 1 : len); }}break; case 10: var bs = x1.value; -if (isMF && flags.length != 0) return mp.addXBs (JU.JmolMolecule.getBitSetForMF (this.vwr.ms.at, bs, flags)); -if (isMF || isCF) return mp.addXStr (JU.JmolMolecule.getMolecularFormulaAtoms (this.vwr.ms.at, bs, (isMF ? null : this.vwr.ms.getCellWeights (bs)), isON)); -if (isSequence || isSeq) { +if (sFind.equalsIgnoreCase ("crystalClass")) { +var n = bs.nextSetBit (0); +var bsNew = null; +if (args.length != 2) { +bsNew = new JU.BS (); +bsNew.set (n); +}return mp.addXList (this.vwr.ms.generateCrystalClass (n, (bsNew != null ? this.vwr.ms.getAtomSetCenter (bsNew) : argLast.tok == 10 ? this.vwr.ms.getAtomSetCenter (argLast.value) : JS.SV.ptValue (argLast)))); +}if (isMF && flags.length != 0) { +return mp.addXBs (JU.JmolMolecule.getBitSetForMF (this.vwr.ms.at, bs, flags)); +}if (isMF || isCF) { +return mp.addXStr (JU.JmolMolecule.getMolecularFormulaAtoms (this.vwr.ms.at, bs, (isMF ? null : this.vwr.ms.getCellWeights (bs)), isON)); +}if (isSequence || isSeq) { var isHH = (argLast.asString ().equalsIgnoreCase ("H")); isAll = new Boolean (isAll | isHH).valueOf (); return mp.addXStr (this.vwr.getSmilesOpt (bs, -1, -1, (isAll ? 3145728 | 5242880 | (isHH ? 9437184 : 0) : 0) | (isSeq ? 34603008 : 1048576), null)); -}if (isSmiles || isSMARTS) sFind = (args.length > 1 && args[1].tok == 10 ? this.vwr.getSmilesOpt (args[1].value, 0, 0, 0, flags) : flags); -flags = flags.toUpperCase (); +}if (isStructureMap) { +var map = null; +var map1 = null; +var map2 = null; +var mapNames = null; +var key = (args.length == 3 ? JS.SV.sValue (argLast) : null); +var itype = (key == null || key.equals ("%i") || key.equals ("number") ? 'i' : key.equals ("%a") || key.equals ("name") ? 'a' : key.equals ("%D") || key.equals ("index") ? 'D' : '?'); +if (key == null) key = "number"; +var err = null; +flags = flags.$replace ("map", "").trim (); +sFind = this.vwr.getSmilesOpt (bs, 0, 0, 0, flags); +if (bs.cardinality () != bs2.cardinality ()) { +err = "atom sets are not the same size"; +} else { +try { +var iflags = (137); +if (flags.length > 0) sFind = "/" + flags + "/" + sFind; +map1 = this.vwr.getSmilesMatcher ().getCorrelationMaps (sFind, this.vwr.ms.at, this.vwr.ms.ac, bs, iflags)[0]; +var m2 = this.vwr.getSmilesMatcher ().getCorrelationMaps (sFind, this.vwr.ms.at, this.vwr.ms.ac, bs2, iflags); +if (m2.length > 0) { +map = Clazz.newIntArray (bs.length (), 0); +for (var i = map.length; --i >= 0; ) map[i] = -1; + +map2 = m2[0]; +for (var i = map1.length; --i >= 0; ) map[map1[i]] = map2[i]; + +mapNames = Clazz.newArray (map1.length, 2, null); +var bsAll = JU.BS.copy (bs); +bsAll.or (bs2); +var names = (itype == '?' ? new Array (bsAll.length ()) : null); +if (names != null) names = this.e.getCmdExt ().getBitsetIdentFull (bsAll, key, null, false, 2147483647, false, names); +var at = this.vwr.ms.at; +for (var pt = 0, i = bs.nextSetBit (0); i >= 0; i = bs.nextSetBit (i + 1)) { +var j = map[i]; +if (j == -1) continue; +var a; +switch (itype) { +case 'a': +a = Clazz.newArray (-1, [at[i].getAtomName (), at[j].getAtomName ()]); +break; +case 'i': +a = Clazz.newArray (-1, [Integer.$valueOf (at[i].getAtomNumber ()), Integer.$valueOf (at[j].getAtomNumber ())]); +break; +case 'D': +a = Clazz.newArray (-1, [Integer.$valueOf (i), Integer.$valueOf (j)]); +break; +default: +a = Clazz.newArray (-1, [names[i], names[j]]); +break; +} +mapNames[pt++] = a; +} +}} catch (ee) { +if (Clazz.exceptionOf (ee, Exception)) { +err = ee.getMessage (); +} else { +throw ee; +} +} +}var m = new java.util.HashMap (); +m.put ("BS1", bs); +m.put ("BS2", bs2); +m.put ("SMILES", sFind); +if (err == null) { +m.put ("SMILEStoBS1", map1); +m.put ("SMILEStoBS2", map2); +m.put ("BS1toBS2", map); +m.put ("MAP1to2", mapNames); +m.put ("key", key); +} else { +m.put ("error", err); +}return mp.addXMap (m); +}if (isSmiles || isSMARTS) { +sFind = (args.length > 1 && args[1].tok == 10 ? this.vwr.getSmilesOpt (args[1].value, 0, 0, 0, flags) : flags); +}flags = flags.toUpperCase (); var bsMatch3D = bs2; if (asBonds) { var map = this.vwr.getSmilesMatcher ().getCorrelationMaps (sFind, this.vwr.ms.at, this.vwr.ms.ac, bs, (isSmiles ? 1 : 2) | 8); ret = (map.length > 0 ? this.vwr.ms.getDihedralMap (map[0]) : Clazz.newIntArray (0, 0)); } else if (flags.equalsIgnoreCase ("map")) { -var map = this.vwr.getSmilesMatcher ().getCorrelationMaps (sFind, this.vwr.ms.at, this.vwr.ms.ac, bs, (isSmiles ? 1 : 2) | 128); +var map = this.vwr.getSmilesMatcher ().getCorrelationMaps (sFind, this.vwr.ms.at, this.vwr.ms.ac, bs, (isSmiles ? 1 : 2) | 128 | 16); ret = map; -} else if (sFind.equalsIgnoreCase ("crystalClass")) { -ret = this.vwr.ms.generateCrystalClass (bs.nextSetBit (0), (args.length != 2 ? null : argLast.tok == 10 ? this.vwr.ms.getAtomSetCenter (argLast.value) : JS.SV.ptValue (argLast))); } else { var smilesFlags = (isSmiles ? (flags.indexOf ("OPEN") >= 0 ? 5 : 1) : 2) | (isON && sFind.length == 0 ? 22020096 : 0); if (flags.indexOf ("/MOLECULE/") >= 0) { @@ -995,15 +1116,25 @@ this.e.evalError (ex.getMessage (), null); throw ex; } } -var isReverse = (flags.indexOf ("v") >= 0); -var isCaseInsensitive = (flags.indexOf ("i") >= 0); +var bs = new JU.BS (); +var svlist = (isList ? x1.getList () : null); +if (isList && tok0 != 4 && tok0 != 0) { +var v = args[0]; +for (var i = 0, n = svlist.size (); i < n; i++) { +if (JS.SV.areEqual (svlist.get (i), v)) bs.set (i); +} +var ret = Clazz.newIntArray (bs.cardinality (), 0); +for (var pt = 0, i = bs.nextSetBit (0); i >= 0; i = bs.nextSetBit (i + 1)) ret[pt++] = i + 1; + +return mp.addXAI (ret); +}var isReverse = (flags.indexOf ("v") >= 0); +var isCaseInsensitive = (flags.indexOf ("i") >= 0) || isOff; var asMatch = (flags.indexOf ("m") >= 0); var checkEmpty = (sFind.length == 0); var isPattern = (!checkEmpty && args.length == 2); if (isList || isPattern) { var pm = (isPattern ? this.getPatternMatcher () : null); var pattern = null; -var svlist = (isList ? x1.getList () : null); if (isPattern) { try { pattern = pm.compile (sFind, isCaseInsensitive); @@ -1017,7 +1148,6 @@ throw ex; }var list = (checkEmpty ? null : JS.SV.strListValue (x1)); var nlist = (checkEmpty ? svlist.size () : list.length); if (JU.Logger.debugging) JU.Logger.debug ("finding " + sFind); -var bs = new JU.BS (); var n = 0; var matcher = null; var v = (asMatch ? new JU.Lst () : null); @@ -1385,12 +1515,14 @@ list2 = Clazz.newFloatArray (sList2.length, 0); JU.PT.parseFloatArrayData (sList2, list2); len = Math.min (len, list2.length); }var token = this.opTokenFor (tok); -var olist = new Array (len); if (isArray1 && isAll) { var llist = new JU.Lst (); return mp.addXList (this.addAllLists (x1.getList (), llist)); }var a = (isScalar1 ? x1 : null); var b; +var justVal = (len == 2147483647); +if (justVal) len = 1; +var olist = new Array (len); for (var i = 0; i < len; i++) { if (isScalar2) b = scalar; else if (x2.tok == 7) b = alist2.get (i); @@ -1408,7 +1540,7 @@ a = JS.SV.getVariableList (l); }}if (!mp.binaryOp (token, a, b)) return false; olist[i] = mp.getX (); } -return mp.addXAV (olist); +return (justVal ? mp.addXObj (olist[0]) : mp.addXAV (olist)); }, "JS.ScriptMathProcessor,~N,~A"); Clazz.defineMethod (c$, "addAllLists", function (list, l) { @@ -1446,25 +1578,22 @@ throw e; }, "JS.ScriptMathProcessor,~A,~B"); Clazz.defineMethod (c$, "evaluateMath", function (mp, args, tok) { -if (tok == 134217749) { -if (args.length == 1 && args[0].tok == 4) return mp.addXStr (( new java.util.Date ()) + "\t" + JS.SV.sValue (args[0])); -return mp.addXInt ((System.currentTimeMillis () & 0x7FFFFFFF) - (args.length == 0 ? 0 : args[0].asInt ())); -}if (args.length != 1) return false; -if (tok == 134218250) { -if (args[0].tok == 2) return mp.addXInt (Math.abs (args[0].asInt ())); -return mp.addXFloat (Math.abs (args[0].asFloat ())); -}var x = JS.SV.fValue (args[0]); +var x = JS.SV.fValue (args[0]); switch (tok) { -case 134218242: -return mp.addXFloat ((Math.acos (x) * 180 / 3.141592653589793)); -case 134218245: -return mp.addXFloat (Math.cos (x * 3.141592653589793 / 180)); -case 134218244: -return mp.addXFloat (Math.sin (x * 3.141592653589793 / 180)); case 134218246: -return mp.addXFloat (Math.sqrt (x)); +x = Math.sqrt (x); +break; +case 134218244: +x = Math.sin (x * 3.141592653589793 / 180); +break; +case 134218245: +x = Math.cos (x * 3.141592653589793 / 180); +break; +case 134218242: +x = Math.acos (x) * 180 / 3.141592653589793; +break; } -return false; +return mp.addXFloat (x); }, "JS.ScriptMathProcessor,~A,~N"); Clazz.defineMethod (c$, "evaluateMeasure", function (mp, args, tok) { @@ -1585,7 +1714,7 @@ if (tok == 134219265 && args.length != 3 || tok == 134217763 && args.length != 2 var pt1; var pt2; var pt3; -var plane; +var plane = JS.ScriptMathProcessor.planeValue (args[0]); var norm; var vTemp; switch (args.length) { @@ -1595,39 +1724,38 @@ var bs = args[0].value; if (bs.cardinality () == 3) { var pts = this.vwr.ms.getAtomPointVector (bs); return mp.addXPt4 (JU.Measure.getPlaneThroughPoints (pts.get (0), pts.get (1), pts.get (2), new JU.V3 (), new JU.V3 (), new JU.P4 ())); -}}var pt = JU.Escape.uP (JS.SV.sValue (args[0])); -if (Clazz.instanceOf (pt, JU.P4)) return mp.addXPt4 (pt); -return mp.addXStr ("" + pt); +}}return (plane != null && mp.addXPt4 (plane)); case 2: if (tok == 134217763) { -if (args[1].tok != 9) return false; +var plane1 = JS.ScriptMathProcessor.planeValue (args[1]); +if (plane1 == null) return false; pt3 = new JU.P3 (); norm = new JU.V3 (); vTemp = new JU.V3 (); -plane = args[1].value; -if (args[0].tok == 9) { -var list = JU.Measure.getIntersectionPP (args[0].value, plane); +if (plane != null) { +var list = JU.Measure.getIntersectionPP (plane, plane1); if (list == null) return mp.addXStr (""); return mp.addXList (list); }pt2 = mp.ptValue (args[0], null); if (pt2 == null) return mp.addXStr (""); -return mp.addXPt (JU.Measure.getIntersection (pt2, null, plane, pt3, norm, vTemp)); +return mp.addXPt (JU.Measure.getIntersection (pt2, null, plane1, pt3, norm, vTemp)); }case 3: case 4: switch (tok) { case 134219265: -return mp.addXPt4 (this.e.getHklPlane (JU.P3.new3 (JS.SV.fValue (args[0]), JS.SV.fValue (args[1]), JS.SV.fValue (args[2])))); +return mp.addXPt4 (this.e.getHklPlane (JU.P3.new3 (JS.SV.fValue (args[0]), JS.SV.fValue (args[1]), JS.SV.fValue (args[2])), NaN, false)); case 134217763: pt1 = mp.ptValue (args[0], null); pt2 = mp.ptValue (args[1], null); if (pt1 == null || pt2 == null) return mp.addXStr (""); var vLine = JU.V3.newV (pt2); vLine.normalize (); -if (args[2].tok == 9) { +var plane2 = JS.ScriptMathProcessor.planeValue (args[2]); +if (plane2 != null) { pt3 = new JU.P3 (); norm = new JU.V3 (); vTemp = new JU.V3 (); -pt1 = JU.Measure.getIntersection (pt1, vLine, args[2].value, pt3, norm, vTemp); +pt1 = JU.Measure.getIntersection (pt1, vLine, plane2, pt3, norm, vTemp); if (pt1 == null) return mp.addXStr (""); return mp.addXPt (pt1); }pt3 = mp.ptValue (args[2], null); @@ -1715,8 +1843,29 @@ default: return false; case 1: if (args[0].tok == 3 || args[0].tok == 2) return mp.addXInt (args[0].asInt ()); -var s = JS.SV.sValue (args[0]); -if (args[0].tok == 7) s = "{" + s + "}"; +var s = null; +if (args[0].tok == 7) { +var list = args[0].getList (); +var len = list.size (); +if (len == 0) { +return false; +}switch (list.get (0).tok) { +case 2: +case 3: +break; +case 4: +s = list.get (0).value; +if (!s.startsWith ("{") || Clazz.instanceOf (JU.Escape.uP (s), String)) { +s = null; +break; +}var a = new JU.Lst (); +for (var i = 0; i < len; i++) { +a.addLast (JS.SV.getVariable (JU.Escape.uP (JS.SV.sValue (list.get (i))))); +} +return mp.addXList (a); +} +s = "{" + JS.SV.sValue (args[0]) + "}"; +}if (s == null) s = JS.SV.sValue (args[0]); var pt = JU.Escape.uP (s); return (Clazz.instanceOf (pt, JU.P3) ? mp.addXPt (pt) : mp.addXStr ("" + pt)); case 2: @@ -1852,7 +2001,7 @@ var data2 = this.vwr.getAtomGroupQuaternions (args[1].value, 2147483647); qs = JU.Quat.div (data2, data1, nMax, isRelative); break; }}var pt1 = mp.ptValue (args[1], null); -p4 = mp.planeValue (args[0]); +p4 = JS.ScriptMathProcessor.planeValue (args[0]); if (pt1 != null) q = JU.Quat.getQuaternionFrame (JU.P3.new3 (0, 0, 0), pt0, pt1); else q = JU.Quat.newVA (pt0, JS.SV.fValue (args[1])); break; @@ -1998,7 +2147,7 @@ var s = JS.SV.sValue (args[0]); var sb = new JU.SB (); switch (tok) { case 134218759: -return (args.length == 2 ? s.equalsIgnoreCase ("JSON") && mp.addXObj (this.vwr.parseJSONMap (JS.SV.sValue (args[1]))) : mp.addXObj (this.vwr.evaluateExpressionAsVariable (s))); +return (args.length == 2 ? s.equalsIgnoreCase ("JSON") && mp.addXObj (this.vwr.parseJSON (JS.SV.sValue (args[1]))) : mp.addXObj (this.vwr.evaluateExpressionAsVariable (s))); case 134222850: var appID = (args.length == 2 ? JS.SV.sValue (args[1]) : "."); if (!appID.equals (".")) sb.append (this.vwr.jsEval (appID + "\1" + s)); @@ -2113,7 +2262,7 @@ if (args.length == 0 || isSelector && args.length > 1) return false; var bs = new JU.BS (); var pattern = JS.SV.sValue (args[0]); if (pattern.length > 0) try { -var bsSelected = (isSelector ? mp.getX ().value : args.length == 2 && args[1].tok == 10 ? args[1].value : null); +var bsSelected = (isSelector ? mp.getX ().value : args.length == 2 && args[1].tok == 10 ? args[1].value : this.vwr.getModelUndeletedAtomsBitSet (-1)); bs = this.vwr.getSmilesMatcher ().getSubstructureSet (pattern, this.vwr.ms.at, this.vwr.ms.ac, bsSelected, (tok == 134218757 ? 1 : 2)); } catch (ex) { if (Clazz.exceptionOf (ex, Exception)) { @@ -2158,6 +2307,13 @@ break; if (bsAtoms == null) { if (apt < narg && args[apt].tok == 10) (bsAtoms = new JU.BS ()).or (args[apt].value); if (apt + 1 < narg && args[apt + 1].tok == 10) (bsAtoms == null ? (bsAtoms = new JU.BS ()) : bsAtoms).or (args[apt + 1].value); +}var trans = null; +if (narg > apt && args[apt].tok == 7) { +var a = args[apt++].getList (); +if (a.size () != 3) return false; +trans = JU.P3.new3 (JS.SV.fValue (a.get (0)), JS.SV.fValue (a.get (1)), JS.SV.fValue (a.get (2))); +} else if (narg > apt && args[apt].tok == 2) { +JU.SimpleUnitCell.ijkToPoint3f (JS.SV.iValue (args[apt++]), trans = new JU.P3 (), 0, 0); }var pt1 = null; var pt2 = null; if ((pt1 = (narg > apt ? mp.ptValue (args[apt], bsAtoms) : null)) != null) apt++; @@ -2165,8 +2321,70 @@ if ((pt2 = (narg > apt ? mp.ptValue (args[apt], bsAtoms) : null)) != null) apt++ var nth = (pt2 != null && args.length > apt && iOp == -2147483648 && args[apt].tok == 2 ? args[apt].intValue : -1); if (nth >= 0) apt++; if (iOp == -2147483648) iOp = 0; -var desc = (narg == apt ? (pt2 != null ? "all" : pt1 != null ? "point" : "matrix") : JS.SV.sValue (args[apt++]).toLowerCase ()); -return (bsAtoms != null && !bsAtoms.isEmpty () && apt == args.length && mp.addXObj (this.vwr.getSymmetryInfo (bsAtoms.nextSetBit (0), xyz, iOp, pt1, pt2, 0, desc, 0, nth, 0))); +var map = null; +if (xyz != null) { +if (apt == narg) { +map = this.vwr.ms.getPointGroupInfo (null); +} else if (args[apt].tok == 6) { +map = args[apt].getMap (); +}}if (map != null) { +var m; +var pt = xyz.indexOf ('.'); +var p1 = xyz.indexOf ('^'); +if (p1 > 0) { +nth = JU.PT.parseInt (xyz.substring (p1 + 1)); +} else { +p1 = xyz.length; +nth = 1; +}if (pt > 0 && p1 > pt + 1) { +iOp = JU.PT.parseInt (xyz.substring (pt + 1, p1)); +if (iOp < 1) iOp = 1; +p1 = pt; +} else { +iOp = 1; +}xyz = xyz.substring (0, p1); +var o = map.get (xyz + "_m"); +if (o == null) { +o = map.get (xyz); +return (o == null ? mp.addXStr ("") : mp.addXObj (o)); +}var centerPt; +try { +if (Clazz.instanceOf (o, JS.SV)) { +centerPt = (map.get ("center")).value; +var obj = o; +if (obj.tok == 11) { +m = obj.value; +} else if (obj.tok == 7) { +m = obj.getList ().get (iOp - 1).value; +} else { +return false; +}} else { +centerPt = map.get ("center"); +if (Clazz.instanceOf (o, JU.M3)) { +m = o; +} else { +m = (o).get (iOp - 1); +}}var m0 = m; +m = JU.M3.newM3 (m); +if (nth > 1) { +for (var i = 1; i < nth; i++) { +m.mul (m0); +} +}if (pt1 == null) return mp.addXObj (m); +pt1 = JU.P3.newP (pt1); +pt1.sub (centerPt); +m.rotate (pt1); +pt1.add (centerPt); +return mp.addXPt (pt1); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +return false; +} else { +throw e; +} +} +}var desc = (narg == apt ? (pt2 != null ? "all" : pt1 != null ? "point" : "matrix") : JS.SV.sValue (args[apt++]).toLowerCase ()); +return (bsAtoms != null && !bsAtoms.isEmpty () && apt == args.length && mp.addXObj (this.vwr.getSymmetryInfo (bsAtoms.nextSetBit (0), xyz, iOp, trans, pt1, pt2, 1275068418, desc, 0, nth, 0))); }, "JS.ScriptMathProcessor,~A,~B"); Clazz.defineMethod (c$, "evaluateTensor", function (mp, args) { @@ -2210,8 +2428,8 @@ return ($var == null ? false : mp.addX ($var)); }, "JS.ScriptMathProcessor,~S,~A,~N,~B"); Clazz.defineMethod (c$, "evaluateWithin", function (mp, args) { -if (args.length < 1 || args.length > 5) return false; var len = args.length; +if (len < 1 || len > 5) return false; if (len == 1 && args[0].tok == 10) return mp.addX (args[0]); var distance = 0; var withinSpec = args[0].value; @@ -2316,7 +2534,10 @@ case 1111490587: case 1073742128: case 1073741925: case 1073742189: -return mp.addXBs (this.vwr.ms.getAtoms (tok, JS.SV.sValue (args[args.length - 1]))); +return mp.addXBs (this.vwr.ms.getAtoms (tok, JS.SV.sValue (args[1]))); +case 1094713349: +case 1094713350: +return mp.addXBs (this.vwr.ms.getAtoms (tok, JS.SV.ptValue (args[1]))); } break; case 3: @@ -2350,7 +2571,7 @@ plane = args[last].value; break; case 8: pt = args[last].value; -if (JS.SV.sValue (args[1]).equalsIgnoreCase ("hkl")) plane = this.e.getHklPlane (pt); +if (JS.SV.sValue (args[1]).equalsIgnoreCase ("hkl")) plane = this.e.getHklPlane (pt, NaN, false); break; case 7: pts1 = (last == 2 && args[1].tok == 7 ? args[1].getList () : null); @@ -2390,8 +2611,17 @@ return false; }return mp.addXBs (this.vwr.getAtomsNearPt (distance, pt)); }if (tok == 1086324744) return mp.addXBs (this.vwr.ms.getSequenceBits (withinStr, bs, new JU.BS ())); if (bs == null) bs = new JU.BS (); -if (!isDistance) return mp.addXBs (this.vwr.ms.getAtoms (tok, bs)); -if (isWithinGroup) return mp.addXBs (this.vwr.getGroupsWithin (Clazz.floatToInt (distance), bs)); +if (!isDistance) { +try { +return mp.addXBs (this.vwr.ms.getAtoms (tok, bs)); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +return false; +} else { +throw e; +} +} +}if (isWithinGroup) return mp.addXBs (this.vwr.getGroupsWithin (Clazz.floatToInt (distance), bs)); if (isVdw) { rd = new J.atomdata.RadiusData (null, (distance > 10 ? distance / 100 : distance), (distance > 10 ? J.atomdata.RadiusData.EnumType.FACTOR : J.atomdata.RadiusData.EnumType.OFFSET), J.c.VDW.AUTO); if (distance < 0) distance = 0; @@ -2413,7 +2643,7 @@ params.put ("outputChannel", oc); this.vwr.createZip (null, type, params); var bis = JU.Rdr.getBIS (oc.toByteArray ()); params = new java.util.Hashtable (); -this.vwr.getJzt ().readFileAsMap (bis, params, null); +this.vwr.readFileAsMap (bis, params, null); return mp.addXMap (params); }break; } @@ -2463,6 +2693,7 @@ ndata = sv.size (); if (ndata == 0) { if (tok != 1275068437) break; } else { +if (tok != 1275068437) { var sv0 = sv.get (0); if (sv0.tok == 8) return this.getMinMaxPoint (sv, tok); if (sv0.tok == 4 && (sv0.value).startsWith ("{")) { @@ -2470,7 +2701,7 @@ var pt = JS.SV.ptValue (sv0); if (Clazz.instanceOf (pt, JU.P3)) return this.getMinMaxPoint (sv, tok); if (Clazz.instanceOf (pt, JU.P4)) return this.getMinMaxQuaternion (sv, tok); break; -}}} else { +}}}} else { break; }var sum; var minMax; @@ -2674,4 +2905,5 @@ if (bs.equals (bsA)) bsB.andNot (bsA); else if (bs.equals (bsB)) bsA.andNot (bsB); }}return bsB; }, "JU.BS,JU.BS,~B,~N,J.atomdata.RadiusData,~B"); +c$.t0 = c$.prototype.t0 = System.currentTimeMillis (); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/PointGroup.js b/qmpy/web/static/js/jsmol/j2s/JS/PointGroup.js index b325fe06..71bd2340 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/PointGroup.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/PointGroup.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JS"); -Clazz.load (["JU.V3"], "JS.PointGroup", ["java.lang.Float", "java.util.Hashtable", "JU.Lst", "$.P3", "$.PT", "$.Quat", "$.SB", "J.bspt.Bspt", "JU.BSUtil", "$.Escape", "$.Logger", "$.Node", "$.Point3fi"], function () { +Clazz.load (["JU.M3", "$.V3"], "JS.PointGroup", ["java.lang.Float", "java.util.Hashtable", "JU.Lst", "$.P3", "$.PT", "$.Quat", "$.SB", "J.bspt.Bspt", "JU.BSUtil", "$.Escape", "$.Logger", "$.Node", "$.Point3fi"], function () { c$ = Clazz.decorateAsClass (function () { this.isAtoms = false; this.drawInfo = null; @@ -92,6 +92,7 @@ if (v != null) atomVibs[i].add (v); } this.points = atomVibs; }if (this.isEqual (pgLast)) return false; +try { this.findInversionCenter (); if (this.isLinear (this.points)) { if (this.haveInversionCenter) { @@ -110,7 +111,6 @@ var nPlanes = 0; this.findCAxes (); nPlanes = this.findPlanes (); this.findAdditionalAxes (nPlanes); -try { var n = this.getHighestOrder (); if (this.nAxes[17] > 1) { if (this.nAxes[19] > 1) { @@ -175,8 +175,9 @@ this.name = "??"; } else { throw e; } -} +} finally { JU.Logger.info ("Point group found: " + this.name); +} return true; }, "JS.PointGroup,~A"); Clazz.defineMethod (c$, "setPrincipalAxis", @@ -227,20 +228,20 @@ var needCenter = (this.center == null); if (needCenter) this.center = new JU.P3 (); var bspt = new J.bspt.Bspt (3, 0); for (var i = this.bsAtoms.nextSetBit (0); i >= 0; i = this.bsAtoms.nextSetBit (i + 1), this.nAtoms++) { -var p = this.points[this.nAtoms] = atomset[i]; +var p = atomset[i]; if (Clazz.instanceOf (p, JU.Node)) { var bondIndex = (this.localEnvOnly ? 1 : 1 + Math.max (3, (p).getCovalentBondCount ())); this.elements[this.nAtoms] = (p).getElementNumber () * bondIndex; this.atomMap[(p).i] = this.nAtoms + 1; -} else if (Clazz.instanceOf (p, JU.Point3fi)) { -this.elements[this.nAtoms] = Math.max (0, (p).sD); } else { var newPt = new JU.Point3fi (); newPt.setT (p); -newPt.i = this.nAtoms; +newPt.i = -1 - this.nAtoms; +if (Clazz.instanceOf (p, JU.Point3fi)) this.elements[this.nAtoms] = Math.max (0, (p).sD); p = newPt; }bspt.addTuple (p); -if (needCenter) this.center.add (this.points[this.nAtoms]); +if (needCenter) this.center.add (p); +this.points[this.nAtoms] = p; } this.iter = bspt.allocateCubeIterator (); if (needCenter) this.center.scale (1 / this.nAtoms); @@ -268,7 +269,7 @@ Clazz.defineMethod (c$, "checkOperation", var pt = new JU.P3 (); var nFound = 0; var isInversion = (iOrder < 14); -out : for (var i = this.points.length; --i >= 0 && nFound < this.points.length; ) { +out : for (var n = this.points.length, i = n; --i >= 0 && nFound < n; ) { if (i == this.centerAtomIndex) continue; var a1 = this.points[i]; var e1 = this.elements[i]; @@ -288,7 +289,7 @@ while (this.iter.hasMoreElements ()) { var a2 = this.iter.nextElement (); if (a2 === a1) continue; var j = this.getPointIndex ((a2).i); -if (this.centerAtomIndex >= 0 && j == this.centerAtomIndex || this.elements[j] != e1) continue; +if (this.centerAtomIndex >= 0 && j == this.centerAtomIndex || j >= this.elements.length || this.elements[j] != e1) continue; if (pt.distanceSquared (a2) < this.distanceTolerance2) { nFound++; continue out; @@ -299,7 +300,7 @@ return true; }, "JU.Quat,JU.T3,~N"); Clazz.defineMethod (c$, "getPointIndex", function (j) { -return j < this.atomMap.length && this.atomMap[j] > 0 ? this.atomMap[j] - 1 : j; +return (j < 0 ? -j : this.atomMap[j]) - 1; }, "~N"); Clazz.defineMethod (c$, "isLinear", function (atoms) { @@ -456,10 +457,12 @@ break; case 19: if (this.nAxes[18] > 0 || this.nAxes[20] > 0 || this.nAxes[22] > 0) return false; break; +case 16: +break; } v.normalize (); if (this.haveAxis (iOrder, v)) return false; -var q = JU.Quat.newVA (v, (iOrder < 14 ? 180 : 0) + Clazz.doubleToInt (360 / (iOrder % 14))); +var q = JS.PointGroup.getQuaternion (v, iOrder); if (!this.checkOperation (q, center, iOrder)) return false; this.addAxis (iOrder, v); switch (iOrder) { @@ -564,6 +567,10 @@ this.checkAxisOrder (16, this.vTemp, this.center); } } }}, "~N"); +c$.getQuaternion = Clazz.defineMethod (c$, "getQuaternion", +function (v, iOrder) { +return JU.Quat.newVA (v, (iOrder < 14 ? 180 : 0) + (iOrder == 0 ? 0 : Clazz.doubleToInt (360 / (iOrder % 14)))); +}, "JU.V3,~N"); Clazz.defineMethod (c$, "getInfo", function (modelIndex, drawID, asInfo, type, index, scaleFactor) { var asDraw = (drawID != null); @@ -595,7 +602,8 @@ if (this.nAxes[i] == 0) continue; var label = this.axes[i][0].getLabel (); offset += 0.25; var scale = scaleFactor * this.radius + offset; -if (!haveType || type.equalsIgnoreCase (label) || anyProperAxis && i >= 14 || anyImproperAxis && i < 14) for (var j = 0; j < this.nAxes[i]; j++) { +var isProper = (i >= 14); +if (!haveType || type.equalsIgnoreCase (label) || anyProperAxis && isProper || anyImproperAxis && !isProper) for (var j = 0; j < this.nAxes[i]; j++) { if (index > 0 && j + 1 != index) continue; op = this.axes[i][j]; v.add2 (op.normalOrAxis, this.center); @@ -636,11 +644,18 @@ if (JU.Logger.debugging) JU.Logger.info (this.drawInfo); return this.drawInfo; }var n = 0; var nTotal = 1; +var nElements = 0; var ctype = (this.haveInversionCenter ? "Ci" : "center"); -if (this.haveInversionCenter) nTotal++; -if (asInfo) this.info.put (ctype, this.center); - else sb.append ("\n\n").append (this.name).append ("\t").append (ctype).append ("\t").append (JU.Escape.eP (this.center)); -for (var i = JS.PointGroup.maxAxis; --i >= 0; ) { +if (this.haveInversionCenter) { +nTotal++; +nElements++; +}if (asInfo) { +this.info.put (ctype, this.center); +if (this.haveInversionCenter) this.info.put ("center", this.center); +this.info.put (ctype, this.center); +} else { +sb.append ("\n\n").append (this.name).append ("\t").append (ctype).append ("\t").append (JU.Escape.eP (this.center)); +}for (var i = JS.PointGroup.maxAxis; --i >= 0; ) { if (this.nAxes[i] > 0) { n = JS.PointGroup.nUnique[i]; var label = this.axes[i][0].getLabel (); @@ -648,17 +663,25 @@ if (asInfo) this.info.put ("n" + label, Integer.$valueOf (this.nAxes[i])); else sb.append ("\n\n").append (this.name).append ("\tn").append (label).append ("\t").appendI (this.nAxes[i]).append ("\t").appendI (n); n *= this.nAxes[i]; nTotal += n; +nElements += this.nAxes[i]; nType[this.axes[i][0].type][1] += n; var vinfo = (asInfo ? new JU.Lst () : null); +var minfo = (asInfo ? new JU.Lst () : null); for (var j = 0; j < this.nAxes[i]; j++) { -if (asInfo) vinfo.addLast (this.axes[i][j].normalOrAxis); - else sb.append ("\n").append (this.name).append ("\t").append (label).append ("_").appendI (j + 1).append ("\t").appendO (this.axes[i][j].normalOrAxis); -} -if (asInfo) this.info.put (label, vinfo); +var aop = this.axes[i][j]; +if (asInfo) { +vinfo.addLast (aop.normalOrAxis); +minfo.addLast (aop.getM3 ()); +} else { +sb.append ("\n").append (this.name).append ("\t").append (label).append ("_").appendI (j + 1).append ("\t").appendO (aop.normalOrAxis); }} +if (asInfo) { +this.info.put (label, vinfo); +this.info.put (label + "_m", minfo); +}}} if (!asInfo) { sb.append ("\n"); -sb.append ("\n").append (this.name).append ("\ttype\tnType\tnUnique"); +sb.append ("\n").append (this.name).append ("\ttype\tnElements\tnUnique"); sb.append ("\n").append (this.name).append ("\tE\t 1\t 1"); n = (this.haveInversionCenter ? 1 : 0); sb.append ("\n").append (this.name).append ("\tCi\t ").appendI (n).append ("\t ").appendI (n); @@ -677,7 +700,9 @@ return (this.textInfo = sb.toString ()); }this.info.put ("name", this.name); this.info.put ("nAtoms", Integer.$valueOf (this.nAtoms)); this.info.put ("nTotal", Integer.$valueOf (nTotal)); +this.info.put ("nElements", Integer.$valueOf (nElements)); this.info.put ("nCi", Integer.$valueOf (this.haveInversionCenter ? 1 : 0)); +if (this.haveInversionCenter) this.info.put ("Ci_m", JU.M3.newM3 (JS.PointGroup.mInv)); this.info.put ("nCs", Integer.$valueOf (this.nAxes[0])); this.info.put ("nCn", Integer.$valueOf (nType[1][0])); this.info.put ("nSn", Integer.$valueOf (nType[2][0])); @@ -701,6 +726,8 @@ this.type = 0; this.order = 0; this.index = 0; this.normalOrAxis = null; +this.typeOrder = 0; +this.mat = null; Clazz.instantialize (this, arguments); }, JS.PointGroup, "Operation"); Clazz.makeConstructor (c$, @@ -708,12 +735,14 @@ function () { this.index = ++this.b$["JS.PointGroup"].nOps; this.type = 3; this.order = 1; +this.typeOrder = 1; if (JU.Logger.debugging) JU.Logger.debug ("new operation -- " + JS.PointGroup.typeNames[this.type]); }); Clazz.makeConstructor (c$, function (a, b) { this.index = ++this.b$["JS.PointGroup"].nOps; this.type = (b < 14 ? 2 : 1); +this.typeOrder = b; this.order = b % 14; this.normalOrAxis = JU.Quat.newVA (a, 180).getNormal (); if (JU.Logger.debugging) JU.Logger.debug ("new operation -- " + (this.order == b ? "S" : "C") + this.order + " " + this.normalOrAxis); @@ -737,6 +766,24 @@ default: return "C" + this.order; } }); +Clazz.defineMethod (c$, "getM3", +function () { +if (this.mat != null) return this.mat; +var a = JU.M3.newM3 (JS.PointGroup.getQuaternion (this.normalOrAxis, this.typeOrder).getMatrix ()); +if (this.type == 0 || this.type == 2) a.mul (JS.PointGroup.mInv); +this.cleanMatrix (a); +return this.mat = a; +}); +Clazz.defineMethod (c$, "cleanMatrix", + function (a) { +for (var b = 0; b < 3; b++) for (var c = 0; c < 3; c++) a.setElement (b, c, this.approx0 (a.getElement (b, c))); + + +}, "JU.M3"); +Clazz.defineMethod (c$, "approx0", + function (a) { +return (a > 1e-15 || a < -1.0E-15 ? a : 0); +}, "~N"); c$ = Clazz.p0p (); }; Clazz.defineStatics (c$, @@ -764,4 +811,5 @@ Clazz.defineStatics (c$, "OPERATION_IMPROPER_AXIS", 2, "OPERATION_INVERSION_CENTER", 3, "typeNames", Clazz.newArray (-1, ["plane", "proper axis", "improper axis", "center of inversion"])); +c$.mInv = c$.prototype.mInv = JU.M3.newA9 ( Clazz.newFloatArray (-1, [-1, 0, 0, 0, -1, 0, 0, 0, -1])); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/PolyhedronStereoSorter.js b/qmpy/web/static/js/jsmol/j2s/JS/PolyhedronStereoSorter.js index 57181346..8623681e 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/PolyhedronStereoSorter.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/PolyhedronStereoSorter.js @@ -27,7 +27,7 @@ if (Math.abs (torA - torB) < 1) { torA = 0; this.vTemp.sub2 (b[2], a[2]); torB = this.vRef.dot (this.vTemp); -}return (torA < torB ? 1 : torA > torB ? -1 : 0); +}return (torA < torB ? -1 : torA > torB ? 1 : 0); }, "~A,~A"); Clazz.defineMethod (c$, "isAligned", function (pt1, pt2, pt3) { diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SV.js b/qmpy/web/static/js/jsmol/j2s/JS/SV.js index d88d7253..a243331b 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SV.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SV.js @@ -1018,6 +1018,10 @@ function (x1, x2) { if (x1 == null || x2 == null) return false; if (x1.tok == x2.tok) { switch (x1.tok) { +case 2: +if (x2.tok == 2) { +return x1.intValue == x2.intValue; +}break; case 4: return (x1.value).equalsIgnoreCase (x2.value); case 10: @@ -1124,8 +1128,9 @@ return n; }, "JS.T"); c$.fflistValue = Clazz.defineMethod (c$, "fflistValue", function (x, nMin) { -if (x.tok != 7) return Clazz.newArray (-1, [ Clazz.newFloatArray (-1, [JS.SV.fValue (x)])]); -var sv = (x).getList (); +if (x.tok != 7) { +return Clazz.newArray (-1, [ Clazz.newFloatArray (-1, [JS.SV.fValue (x)])]); +}var sv = (x).getList (); var svlen = sv.size (); var list; list = JU.AU.newFloat2 (svlen); @@ -1136,7 +1141,7 @@ return list; }, "JS.T,~N"); c$.flistValue = Clazz.defineMethod (c$, "flistValue", function (x, nMin) { -if (x.tok != 7) return Clazz.newFloatArray (-1, [JS.SV.fValue (x)]); +if (x == null || x.tok != 7) return Clazz.newFloatArray (-1, [JS.SV.fValue (x)]); var sv = (x).getList (); var list; list = Clazz.newFloatArray (Math.max (nMin, sv.size ()), 0); @@ -1195,6 +1200,8 @@ c$.isScalar = Clazz.defineMethod (c$, "isScalar", function (x) { switch (x.tok) { case 7: +case 11: +case 12: return false; case 4: return ((x.value).indexOf ("\n") < 0); @@ -1359,6 +1366,8 @@ var d = JS.SV.fValue (b); return (c < d ? -1 : c > d ? 1 : 0); }if (a.tok == 4 || b.tok == 4) return JS.SV.sValue (a).compareTo (JS.SV.sValue (b)); }switch (a.tok) { +case 2: +return (a.intValue < b.intValue ? -1 : a.intValue > b.intValue ? 1 : 0); case 4: return JS.SV.sValue (a).compareTo (JS.SV.sValue (b)); case 7: diff --git a/qmpy/web/static/js/jsmol/j2s/JS/ScriptCompiler.js b/qmpy/web/static/js/jsmol/j2s/JS/ScriptCompiler.js index 1a754b71..16f610ac 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/ScriptCompiler.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/ScriptCompiler.js @@ -3,6 +3,7 @@ Clazz.load (["JS.ScriptTokenParser", "JU.Lst"], "JS.ScriptCompiler", ["java.lang c$ = Clazz.decorateAsClass (function () { this.filename = null; this.isSilent = false; +this.contextFunctions = null; this.contextVariables = null; this.aatokenCompiled = null; this.lineNumbers = null; @@ -12,6 +13,8 @@ this.preDefining = false; this.isShowScriptOutput = false; this.isCheckOnly = false; this.haveComments = false; +this.isPrivateFunc = false; +this.isPrivateScript = false; this.scriptExtensions = null; this.thisFunction = null; this.flowContext = null; @@ -61,6 +64,7 @@ this.vPush = new JU.Lst (); }); Clazz.makeConstructor (c$, function (vwr) { +Clazz.superConstructor (this, JS.ScriptCompiler, []); this.vwr = vwr; }, "JV.Viewer"); Clazz.defineMethod (c$, "compile", @@ -120,6 +124,7 @@ return (this.thisFunction != null ? this.thisFunction.isVariable (ident) : this. }, "~S"); Clazz.defineMethod (c$, "cleanScriptComments", function (script) { +if (script.indexOf ('\u00A0') >= 0) script = script.$replace ('\u00A0', ' '); if (script.indexOf ('\u201C') >= 0) script = script.$replace ('\u201C', '"'); if (script.indexOf ('\u201D') >= 0) script = script.$replace ('\u201D', '"'); if (script.indexOf ('\uFEFF') >= 0) script = script.$replace ('\uFEFF', ' '); @@ -160,6 +165,8 @@ this.errorType = null; this.errorMessage = null; this.errorMessageUntranslated = null; this.errorLine = null; +this.isPrivateScript = false; +this.isPrivateFunc = false; this.nSemiSkip = 0; this.ichToken = 0; this.ichCurrentCommand = 0; @@ -423,7 +430,9 @@ this.cchToken = 4; return 2; }if (ichT == this.ichToken) return 0; this.cchToken = ichT - this.ichToken; -return (this.nTokens == 0 ? 1 : 2); +if (!isSharp && this.cchToken == 10 && this.script.substring (this.ichToken, ichT).equals ("//@private")) { +this.isPrivateScript = true; +}return (this.nTokens == 0 ? 1 : 2); }); Clazz.defineMethod (c$, "charAt", function (i) { @@ -648,8 +657,9 @@ this.identLC = this.ident.toLowerCase (); var isUserVar = this.lastToken.tok != 1073742336 && !this.isDotDot && this.isContextVariable (this.identLC); var myName = this.ident; var preserveCase = null; -if (this.nTokens == 0) this.isUserToken = isUserVar; -if (this.nTokens == 1 && (this.tokCommand == 134320141 || this.tokCommand == 102436 || this.tokCommand == 36868) || this.nTokens != 0 && isUserVar || !this.isDotDot && this.isUserFunction (this.identLC) && ((preserveCase = this.ident) != null) && (this.thisFunction == null || !this.thisFunction.name.equals (this.identLC))) { +if (this.nTokens == 0) { +this.isUserToken = isUserVar; +}if (this.nTokens == 1 && (this.tokCommand == 134320141 || this.tokCommand == 102436 || this.tokCommand == 36868) || this.nTokens != 0 && isUserVar || !this.isDotDot && this.isUserFunction (this.identLC) && ((preserveCase = this.ident) != null) && (this.thisFunction == null || !this.thisFunction.name.equals (this.identLC))) { this.ident = (preserveCase == null ? this.identLC : preserveCase); this.theToken = null; } else if (this.ident.length == 1 || this.lastToken.tok == 268435490) { @@ -753,7 +763,9 @@ case 4124: this.haveMacro = true; break out; case 134222849: -if (this.nTokens == 1 || this.nTokens == 2 && (this.tokAt (1) == 1073741839)) { +var isAppend = (this.tokAt (1) == 1073741839); +if (this.nTokens == 1 || isAppend && (this.nTokens == 2 || this.nTokens == 3 && this.tokAt (2) == 2)) { +if (isAppend && this.nTokens == 2 && JU.PT.isDigit (this.charAt (this.ichToken))) break out; var isDataBase = JV.Viewer.isDatabaseCode (this.charAt (this.ichToken)); if (this.lookingAtLoadFormat (isDataBase)) { var strFormat = this.script.substring (this.ichToken, this.ichToken + this.cchToken); @@ -1037,6 +1049,9 @@ case 268435520: return 0; } switch (tok) { +case 4134: +this.isPrivateFunc = true; +return 2; case 102409: if (this.tokCommand == 135174 || this.tokCommand == 4103 && this.nTokens == 1) return 0; if (!this.haveENDIF) return 5; @@ -1105,6 +1120,7 @@ if (ret == 4) return 4; else if (ret == 2) { this.isEndOfCommand = true; this.cchToken = 0; +if (this.theTok == 268435472) this.parenCount--; return 2; }switch (this.theTok) { case 1073742332: @@ -1226,6 +1242,8 @@ return 2; if (this.thisFunction != null) this.vFunctionStack.add (0, this.thisFunction); this.thisFunction = (this.tokCommand == 102436 ? J.api.Interface.getInterface ("JS.ScriptParallelProcessor", null, null) : new JS.ScriptFunction (this.ident, this.tokCommand)); this.thisFunction.set (this.ident, this.tokCommand); +this.thisFunction.isPrivate = this.isStateScript || this.isPrivateScript || this.isPrivateFunc; +this.isPrivateFunc = false; this.htUserFunctions.put (this.ident, Boolean.TRUE); this.flowContext.setFunction (this.thisFunction); break; diff --git a/qmpy/web/static/js/jsmol/j2s/JS/ScriptContext.js b/qmpy/web/static/js/jsmol/j2s/JS/ScriptContext.js index 7bbbfab1..ef0d1d81 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/ScriptContext.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/ScriptContext.js @@ -44,6 +44,8 @@ this.tryPt = 0; this.theToken = null; this.theTok = 0; this.pointers = null; +this.why = null; +this.privateFuncs = null; Clazz.instantialize (this, arguments); }, JS, "ScriptContext"); Clazz.makeConstructor (c$, diff --git a/qmpy/web/static/js/jsmol/j2s/JS/ScriptEval.js b/qmpy/web/static/js/jsmol/j2s/JS/ScriptEval.js index ee7265b3..026c704f 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/ScriptEval.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/ScriptEval.js @@ -39,9 +39,9 @@ this.fullCommand = null; this.lineEnd = 0; this.pcEnd = 0; this.forceNoAddHydrogens = false; +this.isEmbedded = false; this.parallelProcessor = null; this.pcResume = -1; -this.isEmbedded = false; Clazz.instantialize (this, arguments); }, JS, "ScriptEval", JS.ScriptExpr); Clazz.overrideMethod (c$, "getAllowJSThreads", @@ -81,6 +81,7 @@ return this.script; }); Clazz.makeConstructor (c$, function () { +Clazz.superConstructor (this, JS.ScriptEval, []); this.currentThread = Thread.currentThread (); }); Clazz.overrideMethod (c$, "setViewer", @@ -104,7 +105,8 @@ Clazz.overrideMethod (c$, "compileScriptFile", function (filename, tQuiet) { this.clearState (tQuiet); this.contextPath = filename; -return this.compileScriptFileInternal (filename, null, null, null); +var script = this.getScriptFileInternal (filename, null, null, null); +return (script != null && this.compileScript (filename, script, this.debugScript)); }, "~S,~B"); Clazz.overrideMethod (c$, "evaluateCompiledScript", function (isCmdLine_c_or_C_Option, isCmdLine_C_Option, historyDisabled, listCommands, outputBuffer, allowThreads) { @@ -113,6 +115,7 @@ this.isCmdLine_C_Option = isCmdLine_C_Option; this.chk = this.isCmdLine_c_or_C_Option = isCmdLine_c_or_C_Option; this.historyDisabled = historyDisabled; this.outputBuffer = outputBuffer; +this.privateFuncs = null; this.currentThread = Thread.currentThread (); this.setAllowJSThreads ( new Boolean (allowThreads & !this.vwr.getBoolean (603979892)).valueOf ()); this.listCommands = listCommands; @@ -134,7 +137,7 @@ Clazz.defineMethod (c$, "executeCommands", function (isTry, reportCompletion) { var haveError = false; try { -if (!this.dispatchCommands (false, false, isTry)) return; +if (!this.dispatchCommands (false, false, isTry)) return -1; } catch (e$$) { if (Clazz.exceptionOf (e$$, Error)) { var er = e$$; @@ -149,10 +152,10 @@ haveError = true; var e = e$$; { if (Clazz.instanceOf (e, JS.ScriptInterruption) && (!isTry || !e.isError)) { -return; +return -1; }if (isTry) { this.vwr.setStringProperty ("_errormessage", "" + e); -return; +return 1; }this.setErrorMessage (e.toString ()); this.errorMessageUntranslated = e.getErrorMessageUntranslated (); this.report (this.errorMessage, true); @@ -173,6 +176,7 @@ this.executing = this.chk = this.isCmdLine_c_or_C_Option = this.historyDisabled var msg = this.getErrorMessageUntranslated (); this.vwr.setErrorMessage (this.errorMessage, msg); if (!this.tQuiet && reportCompletion) this.vwr.setScriptStatus ("Jmol script terminated", this.errorMessage, 1 + (this.timeEndExecution - this.timeBeginExecution), msg); +return 0; }, "~B,~B"); Clazz.overrideMethod (c$, "resumeEval", function (sco) { @@ -181,12 +185,24 @@ this.setErrorMessage (null); if (this.executionStopped || sc == null || !sc.mustResumeEval) { this.resumeViewer ("resumeEval"); return; -}if (!this.executionPaused) sc.pc++; -this.thisContext = sc; -if (sc.scriptLevel > 0) this.scriptLevel = sc.scriptLevel - 1; +}this.thisContext = sc; +if (sc.scriptLevel > 0 && sc.why !== "getEvalContextAndHoldQueue") this.scriptLevel = sc.scriptLevel - 1; +if (sc.isTryCatch) { +this.postProcessTry (null); +this.pcResume = -1; +} else { +if (!this.executionPaused) sc.pc++; this.restoreScriptContext (sc, true, false, false); this.pcResume = sc.pc; -this.executeCommands (sc.isTryCatch, this.scriptLevel <= 0); +}switch (this.executeCommands (this.thisContext != null && this.thisContext.isTryCatch, this.scriptLevel <= 0)) { +case -1: +break; +case 1: +case 0: +this.postProcessTry (null); +this.executeCommands (true, false); +break; +} this.pcResume = -1; }, "~O"); Clazz.defineMethod (c$, "resumeViewer", @@ -462,7 +478,12 @@ Clazz.defineMethod (c$, "compileScript", function (filename, strScript, debugCompiler) { this.scriptFileName = filename; strScript = this.fixScriptPath (strScript, filename); -this.restoreScriptContext (this.compiler.compile (filename, strScript, false, false, debugCompiler && JU.Logger.debugging, false), false, false, false); +var sc = this.compiler.compile (filename, strScript, false, false, debugCompiler && JU.Logger.debugging, false); +this.addFunction (null); +var pf = this.privateFuncs; +this.restoreScriptContext (sc, false, false, false); +this.privateFuncs = null; +if (this.thisContext != null) this.thisContext.privateFuncs = pf; this.$isStateScript = this.compiler.isStateScript; this.forceNoAddHydrogens = (this.$isStateScript && this.script.indexOf ("pdbAddHydrogens") < 0); var s = this.script; @@ -498,14 +519,15 @@ if (this.lineIndices[this.pc][0] > pt || this.lineIndices[this.pc][1] >= pt) bre if (this.pc > 0 && this.pc < this.lineIndices.length && this.lineIndices[this.pc][0] > pt) --this.pc; return this.pc; }); -Clazz.defineMethod (c$, "compileScriptFileInternal", +Clazz.defineMethod (c$, "getScriptFileInternal", function (filename, localPath, remotePath, scriptPath) { -if (filename.toLowerCase ().indexOf ("javascript:") == 0) return this.compileScript (filename, this.vwr.jsEval (filename.substring (11)), this.debugScript); -var data = new Array (2); +if (filename.toLowerCase ().indexOf ("javascript:") == 0) { +return this.vwr.jsEval (filename.substring (11)); +}var data = new Array (2); data[0] = filename; if (!this.vwr.fm.getFileDataAsString (data, -1, false, true, false)) { this.setErrorMessage ("io error reading " + data[0] + ": " + data[1]); -return false; +return null; }var movieScript = ""; if (("\n" + data[1]).indexOf ("\nJmolManifest.txt\n") >= 0) { var path; @@ -521,13 +543,13 @@ movieScript = data[1]; data[0] = filename; if (!this.vwr.fm.getFileDataAsString (data, -1, false, true, false)) { this.setErrorMessage ("io error reading " + data[0] + ": " + data[1]); -return false; +return null; }path = JV.FileManager.getManifestScriptPath (data[1]); }if (path != null && path.length > 0) { data[0] = filename = filename.substring (0, filename.lastIndexOf ("|")) + path; if (!this.vwr.fm.getFileDataAsString (data, -1, false, true, false)) { this.setErrorMessage ("io error reading " + data[0] + ": " + data[1]); -return false; +return null; }}if (filename.endsWith ("|state.spt")) { this.vwr.g.setO ("_pngjFile", filename.substring (0, filename.length - 10) + "?"); }}this.scriptFileName = filename; @@ -536,8 +558,7 @@ var script = this.fixScriptPath (data[1], data[0]); if (scriptPath == null) { scriptPath = this.vwr.fm.getFilePath (filename, false, false); scriptPath = scriptPath.substring (0, Math.max (scriptPath.lastIndexOf ("|"), scriptPath.lastIndexOf ("/"))); -}script = JV.FileManager.setScriptFileReferences (script, localPath, remotePath, scriptPath); -return this.compileScript (filename, script + movieScript, this.debugScript); +}return JV.FileManager.setScriptFileReferences (script, localPath, remotePath, scriptPath) + movieScript; }, "~S,~S,~S,~S"); Clazz.overrideMethod (c$, "evalFunctionFloat", function (func, params, values) { @@ -563,7 +584,7 @@ Clazz.defineMethod (c$, "runFunctionAndRet", function ($function, name, params, tokenAtom, getReturn, setContextPath, allowThreads) { if ($function == null) { name = name.toLowerCase (); -$function = this.vwr.getFunction (name); +$function = this.getFunction (name); if ($function == null) return null; if (setContextPath) this.contextPath += " >> function " + name; } else if (setContextPath) { @@ -583,10 +604,13 @@ this.restoreFunction ($function, params, tokenAtom); this.contextVariables.put ("_breakval", JS.SV.newI (2147483647)); this.contextVariables.put ("_errorval", JS.SV.newS ("")); var cv = this.contextVariables; -this.executeCommands (true, false); -while (this.thisContext.tryPt > this.vwr.tryPt) this.popContext (false, false); - -this.processTry (cv); +switch (this.executeCommands (true, false)) { +case -1: +break; +case 1: +case 0: +this.postProcessTry (cv); +} return null; } else if (Clazz.instanceOf ($function, J.api.JmolParallelProcessor)) { { @@ -601,9 +625,15 @@ this.dispatchCommands (false, true, false); this.popContext (false, false); return v; }, "J.api.JmolScriptFunction,~S,JU.Lst,JS.SV,~B,~B,~B"); -Clazz.defineMethod (c$, "processTry", +Clazz.defineMethod (c$, "postProcessTry", function (cv) { -this.vwr.displayLoadErrors = this.thisContext.displayLoadErrorsSave; +if (this.thisContext == null) return; +while (this.thisContext.tryPt > this.vwr.tryPt) this.popContext (false, false); + +var isJSReturn = (cv == null); +if (isJSReturn) { +cv = this.contextVariables; +}this.vwr.displayLoadErrors = this.thisContext.displayLoadErrorsSave; this.popContext (false, false); var err = this.vwr.getP ("_errormessage"); if (err.length > 0) { @@ -612,7 +642,15 @@ this.resetError (); }cv.put ("_tryret", cv.get ("_retval")); var ret = cv.get ("_tryret"); if (ret.value != null || ret.intValue != 2147483647) { +try { this.cmdReturn (ret); +} catch (e) { +if (Clazz.exceptionOf (e, JS.ScriptException)) { +e.printStackTrace (); +} else { +throw e; +} +} return; }var errMsg = (cv.get ("_errorval")).value; if (errMsg.length == 0) { @@ -624,7 +662,8 @@ return; var ct = this.aatoken[this.pc + 1][0]; if (ct.contextVariables != null && ct.name0 != null) ct.contextVariables.put (ct.name0, JS.SV.newS (errMsg)); ct.intValue = (errMsg.length > 0 ? 1 : -1) * Math.abs (ct.intValue); -}}, "java.util.Map"); +}if (isJSReturn) this.pc++; +}, "java.util.Map"); Clazz.defineMethod (c$, "breakAt", function (pt) { if (pt < 0) { @@ -811,6 +850,7 @@ Clazz.overrideMethod (c$, "getScriptContext", function (why) { var context = new JS.ScriptContext (); if (this.debugHigh) JU.Logger.info ("creating context " + context.id + " for " + why + " path=" + this.contextPath); +context.why = why; context.scriptLevel = this.scriptLevel; context.parentContext = this.thisContext; context.contextPath = this.contextPath; @@ -863,7 +903,8 @@ this.pc = context.pc; this.lineEnd = context.lineEnd; this.pcEnd = context.pcEnd; if (statementOnly) return; -}this.mustResumeEval = context.mustResumeEval; +}if (context.privateFuncs != null) this.privateFuncs = context.privateFuncs; +this.mustResumeEval = context.mustResumeEval; this.script = context.script; this.lineNumbers = context.lineNumbers; this.lineIndices = context.lineIndices; @@ -1095,7 +1136,7 @@ if (this.outputBuffer == null) this.vwr.showString (s, mustDo); }, "~S,~B"); Clazz.defineMethod (c$, "report", function (s, isError) { -if (this.chk) return; +if (this.chk || isError && s.indexOf (" of try:") >= 0) return; if (this.outputBuffer == null) this.vwr.scriptStatus (s); else this.appendBuffer (s, isError); }, "~S,~B"); @@ -1169,7 +1210,9 @@ this.stopScriptThreads (); if (this.vwr.captureParams != null && millis > 0) { this.vwr.captureParams.put ("captureDelayMS", Integer.$valueOf (millis)); }this.scriptDelayThread = new JS.ScriptDelayThread (this, this.vwr, millis); -this.scriptDelayThread.run (); +if (this.isJS && this.allowJSThreads) { +this.pc = this.aatoken.length; +}this.scriptDelayThread.run (); }, "~N"); Clazz.defineMethod (c$, "doDelay", function (millis) { @@ -1192,8 +1235,10 @@ this.loadFileAsync (null, fileName, -Math.abs (fileName.hashCode ()), false); }, "~S"); Clazz.defineMethod (c$, "loadFileAsync", function (prefix, filename, i, doClear) { -if (this.vwr.fm.cacheGet (filename, false) != null) return filename; -if (prefix != null) prefix = "cache://local" + prefix; +if (this.vwr.fm.cacheGet (filename, false) != null) { +this.cancelFileThread (); +return filename; +}if (prefix != null) prefix = "cache://local" + prefix; var key = this.pc + "_" + i + "_" + filename; var cacheName; if (this.thisContext == null) { @@ -1202,7 +1247,7 @@ this.pushContext (null, "loadFileAsync"); this.thisContext.htFileCache = new java.util.Hashtable (); }cacheName = this.thisContext.htFileCache.get (key); if (cacheName != null && cacheName.length > 0) { -this.fileLoadThread = null; +this.cancelFileThread (); this.vwr.queueOnHold = false; if ("#CANCELED#".equals (cacheName) || "#CANCELED#".equals (this.vwr.fm.cacheGet (cacheName, false))) this.evalError ("#CANCELED#", null); return cacheName; @@ -1214,19 +1259,25 @@ if (this.vwr.testAsync) this.fileLoadThread.start (); if (i < 0) this.fileLoadThread = null; throw new JS.ScriptInterruption (this, "load", 1); }, "~S,~S,~N,~B"); +Clazz.defineMethod (c$, "cancelFileThread", + function () { +this.fileLoadThread = null; +if (this.thisContext != null && this.thisContext.why === "loadFileAsync") { +this.popContext (false, false); +}}); Clazz.defineMethod (c$, "logLoadInfo", - function (msg) { + function (msg, isData) { if (msg.length > 0) JU.Logger.info (msg); var sb = new JU.SB (); var modelCount = this.vwr.ms.mc; -if (modelCount > 1) sb.append ((this.vwr.am.isMovie ? this.vwr.am.getFrameCount () + " frames" : modelCount + " models") + "\n"); +if (modelCount > 1 && !isData) sb.append ((this.vwr.am.isMovie ? this.vwr.am.getFrameCount () + " frames" : modelCount + " models") + "\n"); for (var i = 0; i < modelCount; i++) { var moData = this.vwr.ms.getInfo (i, "moData"); if (moData == null || !moData.containsKey ("mos")) continue; sb.appendI ((moData.get ("mos")).size ()).append (" molecular orbitals in model ").append (this.vwr.getModelNumberDotted (i)).append ("\n"); } if (sb.length () > 0) this.vwr.showString (sb.toString (), false); -}, "~S"); +}, "~S,~B"); Clazz.overrideMethod (c$, "notifyResumeStatus", function () { if (!this.chk && !this.executionStopped && !this.executionStepping && !this.executionPaused) { @@ -1248,8 +1299,7 @@ this.scriptDelayThread = null; }if (this.fileLoadThread != null) { this.fileLoadThread.interrupt (); this.fileLoadThread.resumeEval (); -if (this.thisContext != null) this.popContext (false, false); -this.fileLoadThread = null; +this.cancelFileThread (); }}); Clazz.defineMethod (c$, "getErrorLineMessage2", function () { @@ -1297,7 +1347,7 @@ if (this.debugScript) this.logDebugScript (this.aatoken[i], 0); JU.Logger.info ("-----"); }for (; this.pc < this.aatoken.length && this.pc < this.pcEnd; this.pc++) { if (allowJSInterrupt) { -if (!this.executionPaused && System.currentTimeMillis () - lastTime > 1000) { +if (!this.executionPaused && System.currentTimeMillis () - lastTime > 1000000) { this.pc--; this.doDelay (-1); }lastTime = System.currentTimeMillis (); @@ -1468,9 +1518,24 @@ break; case 544771: this.cmdHover (); break; -case 266265: +case 4121: +switch (this.slen) { +case 1: if (!this.chk) this.vwr.initialize (!this.$isStateScript, false); break; +case 2: +if (this.tokAt (1) == 1275068433) { +this.vwr.getInchi (null, null, null); +if (this.chk) { +} else { +if (JV.Viewer.isJS) { +this.vwr.showString ("InChI module initialized", false); +this.doDelay (1); +}}break; +}default: +this.bad (); +} +break; case 134238732: this.cmdScript (134238732, null, null); break; @@ -1887,7 +1952,7 @@ this.frameControl (1); }); Clazz.defineMethod (c$, "setFrameSet", function (i) { -var frames = this.expandFloatArray (this.floatParameterSet (i, 0, 2147483647), 1); +var frames = this.expandFloatArray (this.floatParameterSet (i, 0, 2147483647), 1, false); this.checkLength (this.iToken + 1); if (this.chk) return; var movie = new java.util.Hashtable (); @@ -2281,10 +2346,11 @@ this.setShapeProperty (iShape, "init", null); var value = NaN; var type = J.atomdata.RadiusData.EnumType.ABSOLUTE; var ipt = 1; +var isOnly = false; while (true) { switch (this.getToken (ipt).tok) { case 1073742072: -this.restrictSelected (false, false); +isOnly = true; case 1073742335: value = 1; type = J.atomdata.RadiusData.EnumType.FACTOR; @@ -2296,6 +2362,9 @@ case 1073741976: this.setShapeProperty (iShape, "ignore", this.atomExpressionAt (ipt + 1)); ipt = this.iToken + 1; continue; +case 3: +isOnly = (this.tokAt (ipt + 1) == 1073742072 || this.floatParameter (ipt) < 0); +break; case 2: var dotsParam = this.intParameter (ipt); if (this.tokAt (ipt + 1) == 1665140738) { @@ -2312,10 +2381,12 @@ return; } break; } -var rd = (Float.isNaN (value) ? this.encodeRadiusParameter (ipt, false, true) : new J.atomdata.RadiusData (null, value, type, J.c.VDW.AUTO)); +var rd = (Float.isNaN (value) ? this.encodeRadiusParameter (ipt, isOnly, true) : new J.atomdata.RadiusData (null, value, type, J.c.VDW.AUTO)); if (rd == null) return; if (Float.isNaN (rd.value)) this.invArg (); -this.setShapeSize (iShape, rd); +if (isOnly) { +this.restrictSelected (false, false); +}this.setShapeSize (iShape, rd); }, "~N"); Clazz.defineMethod (c$, "cmdEcho", function (index) { @@ -2594,7 +2665,7 @@ this.runFunctionAndRet (trycmd, "try", null, null, true, true, true); return false; case 134320141: case 102436: -this.vwr.addFunction (this.theToken.value); +this.addFunction (this.theToken.value); return isForCheck; case 102412: this.popContext (true, false); @@ -2709,7 +2780,7 @@ var name = (this.getToken (0).value).toLowerCase (); if (this.tokAt (1) == 268435860 && this.tokAt (2) == 1073742333) { this.vwr.removeFunction (name); return; -}if (!this.vwr.isFunction (name)) this.error (10); +}if (!this.isFunction (name)) this.error (10); var params = (this.slen == 1 || this.slen == 3 && this.tokAt (1) == 268435472 && this.tokAt (2) == 268435473 ? null : this.parameterExpressionList (1, -1, false)); if (this.chk) return; this.runFunctionAndRet (null, name, params, null, false, true, true); @@ -2966,10 +3037,17 @@ modelName = this.optParameterAsString (++i); tok = JS.T.getTokFromName (modelName); break; case 1073741839: -isAppend = true; -loadScript.append (" append"); modelName = this.optParameterAsString (++i); -tok = JS.T.getTokFromName (modelName); +var ami = JU.PT.parseInt (modelName); +isAppend = (!this.$isStateScript || this.vwr.ms.mc > 0); +if (isAppend) loadScript.append (" append"); +if (ami >= 0) { +modelName = this.optParameterAsString (++i); +if (isAppend) { +loadScript.append (" " + ami); +appendNew = false; +htParams.put ("appendToModelIndex", Integer.$valueOf (ami)); +}}tok = JS.T.getTokFromName (modelName); break; case 1073742077: doOrient = true; @@ -3050,8 +3128,14 @@ case 1073741824: break; case 134221834: var key = this.stringParameter (++i).toLowerCase (); +modelName = this.optParameterAsString (i + 1); isAppend = key.startsWith ("append"); -doOrient = (key.indexOf ("orientation") >= 0); +if (isAppend && key.startsWith ("append modelindex=")) { +var ami = JU.PT.parseInt (key.substring (18)); +if (ami >= 0) { +appendNew = false; +htParams.put ("appendToModelIndex", Integer.$valueOf (ami)); +}}doOrient = (key.indexOf ("orientation") >= 0); i = this.addLoadData (loadScript, key, htParams, i); isData = true; break; @@ -3247,7 +3331,7 @@ return; throw new JS.ScriptInterruption (this, "async", 1); }this.evalError (errMsg, null); }if (this.debugHigh) this.report ("Successfully loaded:" + (filenames == null ? htParams.get ("fullPathName") : modelName), false); -this.finalizeLoad (isAppend, appendNew, isConcat, doOrient, nFiles, ac0, modelCount0); +this.finalizeLoad (isAppend, appendNew, isConcat, doOrient, nFiles, ac0, modelCount0, isData); }); Clazz.defineMethod (c$, "checkFileExists", function (prefix, isAsync, filename, i, doClear) { @@ -3406,7 +3490,7 @@ break; return this.iToken + 1; }, "~N,JU.SB,java.util.Map"); Clazz.defineMethod (c$, "finalizeLoad", - function (isAppend, appendNew, isConcat, doOrient, nFiles, ac0, modelCount0) { + function (isAppend, appendNew, isConcat, doOrient, nFiles, ac0, modelCount0, isData) { if (isAppend && (appendNew || nFiles > 1)) { this.vwr.setAnimationRange (-1, -1); this.vwr.setCurrentModelIndex (modelCount0); @@ -3429,13 +3513,13 @@ script = "allowEmbeddedScripts = false;try{" + script + "} allowEmbeddedScripts this.isEmbedded = !this.isCmdLine_c_or_C_Option; } else { this.setStringProperty ("_loadScript", ""); -}this.logLoadInfo (msg); +}this.logLoadInfo (msg, isData); var siteScript = (info == null ? null : info.remove ("sitescript")); if (siteScript != null) script = siteScript + ";" + script; if (doOrient) script += ";restore orientation preload"; if (script.length > 0 && !this.isCmdLine_c_or_C_Option) this.runScript (script); this.isEmbedded = false; -}, "~B,~B,~B,~B,~N,~N,~N"); +}, "~B,~B,~B,~B,~N,~N,~N,~B"); Clazz.defineMethod (c$, "cmdLog", function () { if (this.slen == 1) this.bad (); @@ -3731,7 +3815,8 @@ var cameraX = NaN; var cameraY = NaN; var pymolView = null; var q = null; -switch (this.getToken (i).tok) { +var tok = this.getToken (i).tok; +switch (tok) { case 1073742110: pymolView = this.floatParameterSet (++i, 18, 21); i = this.iToken + 1; @@ -3827,7 +3912,7 @@ axis.set (aa.x, aa.y, aa.z); degrees = (isMolecular ? -1 : 1) * (aa.angle * 180.0 / 3.141592653589793); }if (Float.isNaN (axis.x) || Float.isNaN (axis.y) || Float.isNaN (axis.z)) axis.set (0, 0, 0); else if (axis.length () == 0 && degrees == 0) degrees = NaN; -isChange = !this.vwr.tm.isInPosition (axis, degrees); +isChange = (tok == 134221850 || !this.vwr.tm.isInPosition (axis, degrees)); if (this.isFloatParameter (i)) zoom = this.floatParameter (i++); if (this.isFloatParameter (i) && !this.isCenterParameter (i)) { xTrans = this.floatParameter (i++); @@ -4316,7 +4401,7 @@ var saveName = this.optParameterAsString (2); var tok = this.tokAt (1); switch (tok) { case 1814695966: -if (!this.chk) this.setCurrentCagePts (null, null); +if (!this.chk) this.setModelCagePts (-1, null, null); return; case 1073742077: case 1073742132: @@ -4443,6 +4528,7 @@ if (filename.equalsIgnoreCase ("async")) { isAsync = true; filename = this.paramAsStr (++i); }if (filename.equalsIgnoreCase ("applet")) { +filename = null; var appID = this.paramAsStr (++i); theScript = this.parameterExpressionString (++i, 0); this.checkLast (this.iToken); @@ -4455,6 +4541,7 @@ if (!appID.equals ("*")) return; tok = this.tokAt (this.slen - 1); doStep = (tok == 266298); if (filename.equalsIgnoreCase ("inline")) { +filename = null; theScript = this.parameterExpressionString (++i, (doStep ? this.slen - 1 : 0)); i = this.iToken; } else { @@ -4464,8 +4551,9 @@ if (filename.equalsIgnoreCase ("localPath")) localPath = this.paramAsStr (++i); else remotePath = this.paramAsStr (++i); filename = this.paramAsStr (++i); } +if (filename.startsWith ("spt::")) filename = filename.substring (5); filename = this.checkFileExists ("SCRIPT_", isAsync, filename, i, true); -}if ((tok = this.tokAt (++i)) == 1073741878) { +}if ((tok = this.tokAt (++i)) == 1073741877) { isCheck = true; tok = this.tokAt (++i); }if (tok == 1073742050) { @@ -4501,7 +4589,8 @@ var wasScriptCheck = this.isCmdLine_c_or_C_Option; if (isCheck) this.chk = this.isCmdLine_c_or_C_Option = true; this.pushContext (null, "SCRIPT"); this.contextPath += " >> " + filename; -if (theScript == null ? this.compileScriptFileInternal (filename, localPath, remotePath, scriptPath) : this.compileScript (null, theScript, false)) { +if (theScript == null) theScript = this.getScriptFileInternal (filename, localPath, remotePath, scriptPath); +if (this.compileScript (filename, theScript, filename != null && this.debugScript)) { this.pcEnd = pcEnd; this.lineEnd = lineEnd; while (pc < this.lineNumbers.length && this.lineNumbers[pc] < lineNumber) pc++; @@ -4516,6 +4605,7 @@ this.contextVariables.put ("_argcount", JS.SV.newI (params == null ? 0 : params. if (isCheck) this.listCommands = true; var timeMsg = this.vwr.getBoolean (603979934); if (timeMsg) JU.Logger.startTimer ("script"); +this.privateFuncs = null; this.dispatchCommands (false, false, false); if (this.$isStateScript) JS.ScriptManager.setStateScriptVersion (this.vwr, null); if (timeMsg) this.showString (JU.Logger.getTimerMsg ("script", 0)); @@ -4554,7 +4644,7 @@ bs = this.getToken (3).value; this.iToken++; } else if (this.isArrayParameter (4)) { bs = new JU.BS (); -var a = this.expandFloatArray (this.floatParameterSet (4, 0, 2147483647), 0); +var a = this.expandFloatArray (this.floatParameterSet (4, 0, 2147483647), 0, false); for (var ii = a.length; --ii >= 0; ) if (a[ii] >= 0) bs.set (a[ii]); }this.checkLast (this.iToken); @@ -5334,7 +5424,7 @@ if (!this.chk) this.vwr.tm.setSlabDepthInternal (isDepth); return; case 268435616: str = this.paramAsStr (2); -if (str.equalsIgnoreCase ("hkl")) plane = this.hklParameter (3); +if (str.equalsIgnoreCase ("hkl")) plane = this.hklParameter (3, false); else if (str.equalsIgnoreCase ("plane")) plane = this.planeParameter (2); if (plane == null) this.invArg (); plane.scale4 (-1); @@ -5348,7 +5438,7 @@ plane = this.planeParameter (1); } break; case 134219265: -plane = (this.getToken (2).tok == 1073742333 ? null : this.hklParameter (2)); +plane = (this.getToken (2).tok == 1073742333 ? null : this.hklParameter (2, false)); break; case 1073742118: return; @@ -5548,19 +5638,20 @@ this.invArg (); this.checkLength (len); if (!this.chk) this.vwr.undoMoveAction (this.tokAt (0), n); }); -Clazz.defineMethod (c$, "setCurrentCagePts", -function (originABC, name) { +Clazz.defineMethod (c$, "setModelCagePts", +function (iModel, originABC, name) { +if (iModel < 0) iModel = this.vwr.am.cmi; var sym = J.api.Interface.getSymmetry (this.vwr, "eval"); if (sym == null && this.vwr.async) throw new NullPointerException (); try { -this.vwr.ms.setModelCage (this.vwr.am.cmi, originABC == null ? null : sym.getUnitCell (originABC, false, name)); +this.vwr.ms.setModelCage (iModel, originABC == null ? null : sym.getUnitCell (originABC, false, name)); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { } else { throw e; } } -}, "~A,~S"); +}, "~N,~A,~S"); Clazz.defineMethod (c$, "cmdUnitcell", function (i) { this.getCmdExt ().dispatch (1814695966, i == 2, null); @@ -6039,29 +6130,36 @@ vdwType = J.c.VDW.AUTO; }}return new J.atomdata.RadiusData (null, value, factorType, vdwType); }, "~N,~B,~B"); Clazz.defineMethod (c$, "expandFloatArray", -function (a, min) { +function (a, min, asBS) { var n = a.length; var haveNeg = false; +var bs = (asBS ? new JU.BS () : null); try { for (var i = 0; i < a.length; i++) if (a[i] < 0) { n += Math.abs (a[i - 1] + a[i]) - 1; haveNeg = true; } if (haveNeg) { -var b = Clazz.newFloatArray (n, 0); +var b = (asBS ? null : Clazz.newFloatArray (n, 0)); for (var pt = 0, i = 0; i < a.length; i++) { n = Clazz.floatToInt (a[i]); if (n >= 0) { if (n < min) this.invArg (); -b[pt++] = n; +if (asBS) bs.set (n - 1); + else b[pt++] = n; } else { -var dif = Clazz.floatToInt (a[i - 1] + n); -var dir = (dif < 0 ? 1 : -1); -for (var j = Clazz.floatToInt (a[i - 1]); j != -a[i]; j += dir, pt++) b[pt] = b[pt - 1] + dir; +var j = Clazz.floatToInt (a[i - 1]); +var dir = (j <= -n ? 1 : -1); +for (var j2 = -n; j != j2; j += dir, pt++) if (!asBS) b[pt] = j + dir; + else bs.set (j); }} a = b; -n = a.length; +if (!asBS) n = a.length; +}if (asBS) { +for (var i = n; --i >= 0; ) bs.set (Clazz.floatToInt (a[i]) - 1); + +return bs; }var ia = Clazz.newIntArray (n, 0); for (var i = n; --i >= 0; ) ia[i] = Clazz.floatToInt (a[i]); @@ -6074,7 +6172,7 @@ return null; throw e; } } -}, "~A,~N"); +}, "~A,~N,~B"); Clazz.defineMethod (c$, "frameControl", function (i) { switch (this.getToken (this.checkLast (i)).tok) { @@ -6450,7 +6548,7 @@ if (!this.chk) this.sm.setShapeSizeBs (shapeType, size, null, bs); }, "~N,~N,JU.BS"); Clazz.defineMethod (c$, "setShapeTranslucency", function (shapeType, prefix, translucency, translucentLevel, bs) { -if (translucentLevel == 3.4028235E38) translucentLevel = this.vwr.getFloat (570425354); +if (translucentLevel == 3.4028235E38) translucentLevel = this.vwr.getFloat (570425353); this.setShapeProperty (shapeType, "translucentLevel", Float.$valueOf (translucentLevel)); if (prefix == null) return; if (bs == null) this.setShapeProperty (shapeType, prefix + "translucency", translucency); @@ -6551,6 +6649,12 @@ return str.toString (); Clazz.defineStatics (c$, "saveList", "bonds? context? coordinates? orientation? rotation? selection? state? structure?", "iProcess", 0, +"CONTEXT_HOLD_QUEUE", "getEvalContextAndHoldQueue", +"CONTEXT_DELAY", "delay", +"DELAY_INTERRUPT_MS", 1000000, +"EXEC_ASYNC", -1, +"EXEC_ERR", 1, +"EXEC_OK", 0, "commandHistoryLevelMax", 0, "contextDepthMax", 100, "scriptReportingLevel", 0); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/ScriptExpr.js b/qmpy/web/static/js/jsmol/j2s/JS/ScriptExpr.js index 5bc0edf6..a8485667 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/ScriptExpr.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/ScriptExpr.js @@ -2,6 +2,7 @@ Clazz.declarePackage ("JS"); Clazz.load (["JS.ScriptParam"], "JS.ScriptExpr", ["java.lang.Boolean", "$.Float", "java.util.Hashtable", "$.Map", "JU.BArray", "$.BS", "$.CU", "$.Lst", "$.M34", "$.M4", "$.Measure", "$.P3", "$.P4", "$.PT", "$.SB", "J.api.Interface", "JM.BondSet", "$.Group", "$.ModelSet", "JS.SV", "$.ScriptContext", "$.ScriptMathProcessor", "$.T", "JU.BSUtil", "$.Elements", "$.Escape"], function () { c$ = Clazz.decorateAsClass (function () { this.debugHigh = false; +this.privateFuncs = null; this.cmdExt = null; this.isoExt = null; this.mathExt = null; @@ -381,11 +382,11 @@ if (!haveParens) if (this.chk) { v = name; } else if (localVars == null || (v = JU.PT.getMapValueNoCase (localVars, name)) == null && allContext) { if (name.startsWith ("_")) { -v = (name.equals ("_") ? this.vwr.ms.getAuxiliaryInfo (null) : name.equals ("_m") ? this.vwr.getCurrentModelAuxInfo () : null); +v = (name.equals ("_") ? this.vwr.getModelSetAuxiliaryInfo () : name.equals ("_m") ? this.vwr.getCurrentModelAuxInfo () : null); }if (v == null) v = this.getContextVariableAsVariable (name, false); else if (ptEq == 0) this.invArg (); }if (v == null) { -if (JS.T.tokAttr (this.theTok, 1073741824) && this.vwr.isFunction (name)) { +if (JS.T.tokAttr (this.theTok, 1073741824) && this.isFunction (name)) { if (!rpn.addOp (JS.SV.newV (134320141, this.theToken.value))) this.invArg (); if (!haveParens) { rpn.addOp (JS.T.tokenLeftParen); @@ -511,7 +512,7 @@ rpn.addXBs (this.vwr.ms.getAtoms (1086324744, (instruction).asString ())); break; case 134219265: rpn.addX (JS.SV.newT (instruction)); -rpn.addX (JS.SV.newV (9, this.hklParameter (pc + 2))); +rpn.addX (JS.SV.newV (9, this.hklParameter (pc + 2, false))); pc = this.iToken; break; case 134217750: @@ -536,7 +537,7 @@ rpn.addXBs (this.vwr.ms.getAtoms (1086324744, s)); break; }rpn.addX (JS.SV.newT (instruction)); if (s.equals ("hkl")) { -rpn.addX (JS.SV.newV (9, this.hklParameter (pc + 2))); +rpn.addX (JS.SV.newV (9, this.hklParameter (pc + 2, false))); pc = this.iToken; }break; case 134217759: @@ -646,7 +647,7 @@ break; case 1094713350: case 1094713349: var pt = value; -rpn.addXBs (this.getAtomBits (instruction.tok, Clazz.newIntArray (-1, [Clazz.doubleToInt (Math.floor (pt.x * 1000)), Clazz.doubleToInt (Math.floor (pt.y * 1000)), Clazz.doubleToInt (Math.floor (pt.z * 1000))]))); +rpn.addXBs (this.getAtomBits (instruction.tok, value)); break; case 2097182: rpn.addXBs (this.vwr.am.cmi < 0 ? this.vwr.getFrameAtoms () : this.vwr.getModelUndeletedAtomsBitSet (this.vwr.am.cmi)); @@ -865,6 +866,7 @@ if (!isProp && this.ptTemp == null) this.ptTemp = new JU.P3 (); for (var i = ac; --i >= 0; ) { var match = false; var atom = atoms[i]; +if (atom == null) continue; if (isProp) { if (data == null || data.length <= i) continue; propertyFloat = data[i]; @@ -975,6 +977,7 @@ bs = JU.BS.newN (ac); for (var i = 0; i < ac; ++i) { var match = false; var atom = atoms[i]; +if (atom == null) continue; switch (tokWhat) { default: ia = atom.atomPropertyInt (tokWhat); @@ -1079,7 +1082,7 @@ default: if (JS.T.tokAttrOr (tok, 1077936128, 1140850688) || xTok == 6) break; if (tok != 805306401 && !JS.T.tokAttr (tok, 1073741824)) break; var name = this.paramAsStr (i); -if (this.vwr.isFunction (name.toLowerCase ())) { +if (this.isFunction (name.toLowerCase ())) { tok = 134320141; break; }} @@ -1088,7 +1091,7 @@ return JS.SV.newSV (268435665, tok, this.paramAsStr (i)); Clazz.defineMethod (c$, "getBitsetProperty", function (bs, pts, tok, ptRef, planeRef, tokenValue, opValue, useAtomMap, index, asVectorIfAll) { var haveIndex = (index != 2147483647); -var isAtoms = haveIndex || !(Clazz.instanceOf (tokenValue, JM.BondSet)); +var isAtoms = haveIndex || !(Clazz.instanceOf (tokenValue, JM.BondSet)) && !(Clazz.instanceOf (bs, JM.BondSet)); var minmaxtype = tok & 480; var selectedFloat = (minmaxtype == 224); var ac = this.vwr.ms.ac; @@ -1877,4 +1880,21 @@ for (i = j; i < this.st.length; i++) this.st[i] = null; this.slen = j; return true; }, "~A,~N"); +Clazz.defineMethod (c$, "isFunction", +function (sf) { +return (this.getFunction (sf) != null); +}, "~S"); +Clazz.defineMethod (c$, "addFunction", +function (f) { +if (f == null || f.isPrivate) { +if (this.privateFuncs == null) this.privateFuncs = new java.util.Hashtable (); +if (f != null) this.privateFuncs.put (f.name, f); +} else { +this.vwr.addFunction (f); +}}, "JS.ScriptFunction"); +Clazz.defineMethod (c$, "getFunction", +function (sf) { +var f = (this.privateFuncs == null ? null : this.privateFuncs.get (sf)); +return (f == null ? this.vwr.getFunction (sf) : f); +}, "~S"); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/ScriptExt.js b/qmpy/web/static/js/jsmol/j2s/JS/ScriptExt.js index 2c7d47b9..66db4ae3 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/ScriptExt.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/ScriptExt.js @@ -101,7 +101,7 @@ if (eval.theTok != 1765808134) --i; switch (this.tokAt (i + 1)) { case 603979967: i++; -translucentLevel = (this.isFloatParameter (i + 1) ? eval.getTranslucentLevel (++i) : this.vwr.getFloat (570425354)); +translucentLevel = (this.isFloatParameter (i + 1) ? eval.getTranslucentLevel (++i) : this.vwr.getFloat (570425353)); break; case 1073742074: i++; @@ -145,7 +145,7 @@ for (var vii = faces[vi].length; --vii >= 0; ) faces[vi][vii] = face.get (vii).i return faces; }, "~N"); Clazz.defineMethod (c$, "getAllPoints", -function (index) { +function (index, nmin) { var points = null; var bs = null; try { @@ -170,7 +170,7 @@ if (Clazz.exceptionOf (e, Exception)) { throw e; } } -if (points.length < 3) this.invArg (); +if (points == null || points.length < nmin) this.invArg (); return points; -}, "~N"); +}, "~N,~N"); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/ScriptFunction.js b/qmpy/web/static/js/jsmol/j2s/JS/ScriptFunction.js index 65d6a0e0..f381ea50 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/ScriptFunction.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/ScriptFunction.js @@ -15,6 +15,7 @@ this.aatoken = null; this.lineIndices = null; this.lineNumbers = null; this.script = null; +this.isPrivate = false; Clazz.instantialize (this, arguments); }, JS, "ScriptFunction", null, J.api.JmolScriptFunction); Clazz.prepareFields (c$, function () { diff --git a/qmpy/web/static/js/jsmol/j2s/JS/ScriptManager.js b/qmpy/web/static/js/jsmol/j2s/JS/ScriptManager.js index cffc3cd7..526f22c1 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/ScriptManager.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/ScriptManager.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JS"); -Clazz.load (["J.api.JmolScriptManager", "JU.Lst"], "JS.ScriptManager", ["java.io.BufferedInputStream", "$.BufferedReader", "java.lang.Boolean", "$.Thread", "javajs.api.ZInputStream", "JU.AU", "$.BS", "$.PT", "$.Rdr", "$.SB", "J.api.Interface", "JS.ScriptQueueThread", "JU.Elements", "$.Logger", "JV.FileManager"], function () { +Clazz.load (["J.api.JmolScriptManager", "JU.Lst"], "JS.ScriptManager", ["java.io.BufferedInputStream", "$.BufferedReader", "java.lang.Boolean", "$.Thread", "java.util.Hashtable", "java.util.zip.ZipInputStream", "JU.AU", "$.PT", "$.Rdr", "$.SB", "J.api.Interface", "J.i18n.GT", "JS.ScriptQueueThread", "JU.Elements", "$.Logger", "JV.FileManager", "$.Viewer"], function () { c$ = Clazz.decorateAsClass (function () { this.vwr = null; this.eval = null; @@ -87,10 +87,9 @@ var n = 0; while (this.isQueueProcessing ()) { try { Thread.sleep (100); -if (((n++) % 10) == 0) { -if (JU.Logger.debugging) { +if (((n++) % 10) == 0) if (JU.Logger.debugging) { JU.Logger.debug ("...scriptManager waiting for queue: " + this.scriptQueue.size () + " thread=" + Thread.currentThread ().getName ()); -}}} catch (e) { +}} catch (e) { if (Clazz.exceptionOf (e, InterruptedException)) { } else { throw e; @@ -222,6 +221,7 @@ if (str.indexOf ("\1##") >= 0) str = str.substring (0, str.indexOf ("\1##")); if (this.checkResume (str)) return "script processing resumed"; if (this.checkStepping (str)) return "script processing stepped"; if (this.checkHalt (str, isInsert)) return "script execution halted"; +this.wasmHack (strScript); return null; }, "~S,~B"); Clazz.defineMethod (c$, "checkResume", @@ -262,7 +262,7 @@ Clazz.overrideMethod (c$, "checkHalt", function (str, isInsert) { if (str.equalsIgnoreCase ("pause")) { this.vwr.pauseScriptExecution (); -if (this.vwr.scriptEditorVisible) this.vwr.scriptStatusMsg ("", "paused -- type RESUME to continue"); +if (this.vwr.scriptEditorVisible) this.vwr.setScriptStatus ("", "paused -- type RESUME to continue", 0, null); return true; }if (str.equalsIgnoreCase ("menu")) { this.vwr.getProperty ("DATA_API", "getPopupMenu", "\0"); @@ -298,34 +298,55 @@ if (eval == null) eval = this.evalTemp = this.newScriptEvaluator (); Clazz.overrideMethod (c$, "scriptCheckRet", function (strScript, returnContext) { if (strScript.indexOf (")") == 0 || strScript.indexOf ("!") == 0) strScript = strScript.substring (1); +strScript = this.wasmHack (strScript); var sc = this.newScriptEvaluator ().checkScriptSilent (strScript); return (returnContext || sc.errorMessage == null ? sc : sc.errorMessage); }, "~S,~B"); +Clazz.defineMethod (c$, "wasmHack", +function (cmd) { +if (JV.Viewer.isJS && (cmd.indexOf ("find('inchi')") >= 0 || cmd.indexOf ("find(\"inchi\")") >= 0) || cmd.indexOf (".inchi(") >= 0) { +this.vwr.getInchi (null, null, null); +}return cmd; +}, "~S"); Clazz.overrideMethod (c$, "openFileAsync", -function (fileName, flags) { -var noScript = ((flags & 2) == 2); -var isAppend = ((flags & 4) == 4); -var pdbCartoons = ((flags & 1) == 1 && !isAppend); -var noAutoPlay = ((flags & 8) == 8); +function (fname, flags, checkDims) { +if (checkDims && JV.FileManager.isEmbeddable (fname)) this.checkResize (fname); +var noScript = ((flags & 2) != 0); +var noAutoPlay = ((flags & 8) != 0); var cmd = null; -fileName = fileName.trim (); -if (fileName.startsWith ("\t")) { +fname = fname.trim (); +if (fname.startsWith ("\t")) { noScript = true; -fileName = fileName.substring (1); -}fileName = fileName.$replace ('\\', '/'); -var isCached = fileName.startsWith ("cache://"); -if (this.vwr.isApplet && fileName.indexOf ("://") < 0) fileName = "file://" + (fileName.startsWith ("/") ? "" : "/") + fileName; +fname = fname.substring (1); +}fname = fname.$replace ('\\', '/'); +var isCached = fname.startsWith ("cache://"); +if (this.vwr.isApplet && fname.indexOf ("://") < 0) fname = "file://" + (fname.startsWith ("/") ? "" : "/") + fname; try { -if (fileName.endsWith (".pse")) { -cmd = (isCached ? "" : "zap;") + "load SYNC " + JU.PT.esc (fileName) + (this.vwr.isApplet ? "" : " filter 'DORESIZE'"); +if (fname.endsWith (".pse")) { +cmd = (isCached ? "" : "zap;") + "load SYNC " + JU.PT.esc (fname) + (this.vwr.isApplet ? "" : " filter 'DORESIZE'"); return; -}if (fileName.endsWith ("jvxl")) { +}if (fname.endsWith ("jvxl")) { cmd = "isosurface "; -} else if (!fileName.toLowerCase ().endsWith (".spt")) { -var type = this.getDragDropFileTypeName (fileName); +} else if (!fname.toLowerCase ().endsWith (".spt")) { +var type = this.getDragDropFileTypeName (fname); if (type == null) { -type = JV.FileManager.determineSurfaceTypeIs (this.vwr.getBufferedInputStream (fileName)); -if (type != null) cmd = "if (_filetype == 'Pdb') { isosurface sigma 1.0 within 2.0 {*} " + JU.PT.esc (fileName) + " mesh nofill }; else; { isosurface " + JU.PT.esc (fileName) + "}"; +try { +var bis = this.vwr.getBufferedInputStream (fname); +type = JV.FileManager.determineSurfaceFileType (JU.Rdr.getBufferedReader (bis, "ISO-8859-1")); +if (type == null) { +cmd = "script " + JU.PT.esc (fname); +return; +}} catch (e) { +if (Clazz.exceptionOf (e, java.io.IOException)) { +return; +} else { +throw e; +} +} +cmd = "if (_filetype == 'Pdb') { isosurface sigma 1.0 within 2.0 {*} " + JU.PT.esc (fname) + " mesh nofill }; else; { isosurface " + JU.PT.esc (fname) + "}"; +return; +}if (type.equals ("spt::")) { +cmd = "script " + JU.PT.esc ((fname.startsWith ("spt::") ? fname.substring (5) : fname)); return; }if (type.equals ("dssr")) { cmd = "model {visible} property dssr "; @@ -334,40 +355,65 @@ cmd = "script "; } else if (type.equals ("Cube")) { cmd = "isosurface sign red blue "; } else if (!type.equals ("spt")) { -cmd = this.vwr.g.defaultDropScript; -cmd = JU.PT.rep (cmd, "%FILE", fileName); +if (flags == 16) { +flags = 1; +switch (this.vwr.ms.ac == 0 ? 0 : this.vwr.confirm (J.i18n.GT.$ ("Would you like to replace the current model with the selected model?"), J.i18n.GT.$ ("Would you like to append?"))) { +case 2: +return; +case 0: +break; +default: +flags |= 4; +break; +} +}var isAppend = ((flags & 4) != 0); +var pdbCartoons = ((flags & 1) != 0 && !isAppend); +if (type.endsWith ("::")) { +var pt = type.indexOf ("|"); +if (pt >= 0) { +fname += type.substring (pt, type.length - 2); +type = ""; +}fname = type + fname; +}cmd = this.vwr.g.defaultDropScript; +cmd = JU.PT.rep (cmd, "%FILE", fname); cmd = JU.PT.rep (cmd, "%ALLOWCARTOONS", "" + pdbCartoons); if (cmd.toLowerCase ().startsWith ("zap") && (isCached || isAppend)) cmd = cmd.substring (3); if (isAppend) { cmd = JU.PT.rep (cmd, "load SYNC", "load append"); }return; -}}if (cmd == null && !noScript && this.vwr.scriptEditorVisible) this.vwr.showEditor ( Clazz.newArray (-1, [fileName, this.vwr.getFileAsString3 (fileName, true, null)])); - else cmd = (cmd == null ? "script " : cmd) + JU.PT.esc (fileName); +}}if (cmd == null && !noScript && this.vwr.scriptEditorVisible) this.vwr.showEditor ( Clazz.newArray (-1, [fname, this.vwr.getFileAsString3 (fname, true, null)])); + else cmd = (cmd == null ? "script " : cmd) + JU.PT.esc (fname); } finally { if (cmd != null) this.vwr.evalString (cmd + (noAutoPlay ? "#!NOAUTOPLAY" : "")); } -}, "~S,~N"); +}, "~S,~N,~B"); +Clazz.defineMethod (c$, "checkResize", + function (fname) { +try { +var data = this.vwr.fm.getEmbeddedFileState (fname, false, "state.spt"); +if (data.indexOf ("preferredWidthHeight") >= 0) this.vwr.sm.resizeInnerPanelString (data); +} catch (e) { +} +}, "~S"); Clazz.defineMethod (c$, "getDragDropFileTypeName", function (fileName) { var pt = fileName.indexOf ("::"); -if (pt >= 0) return fileName.substring (0, pt); +if (pt >= 0) return fileName.substring (0, pt + 2); if (fileName.startsWith ("=")) return "pdb"; if (fileName.endsWith (".dssr")) return "dssr"; var br = this.vwr.fm.getUnzippedReaderOrStreamFromName (fileName, null, true, false, true, true, null); -if (Clazz.instanceOf (br, javajs.api.ZInputStream)) { -var zipDirectory = this.getZipDirectoryAsString (fileName); +var modelType = null; +if (Clazz.instanceOf (br, java.util.zip.ZipInputStream)) { +var zipDirectory = this.vwr.getZipDirectoryAsString (fileName); if (zipDirectory.indexOf ("JmolManifest") >= 0) return "Jmol"; -return this.vwr.getModelAdapter ().getFileTypeName (JU.Rdr.getBR (zipDirectory)); -}if (Clazz.instanceOf (br, java.io.BufferedReader) || Clazz.instanceOf (br, java.io.BufferedInputStream)) return this.vwr.getModelAdapter ().getFileTypeName (br); +modelType = this.vwr.getModelAdapter ().getFileTypeName (JU.Rdr.getBR (zipDirectory)); +} else if (Clazz.instanceOf (br, java.io.BufferedReader) || Clazz.instanceOf (br, java.io.BufferedInputStream)) { +modelType = this.vwr.getModelAdapter ().getFileTypeName (br); +}if (modelType != null) return modelType + "::"; if (JU.AU.isAS (br)) { return (br)[0]; }return null; }, "~S"); -Clazz.defineMethod (c$, "getZipDirectoryAsString", - function (fileName) { -var t = this.vwr.fm.getBufferedInputStreamOrErrorMessageFromName (fileName, fileName, false, false, null, false, true); -return this.vwr.getJzt ().getZipDirectoryAsStringAndClose (t); -}, "~S"); c$.setStateScriptVersion = Clazz.defineMethod (c$, "setStateScriptVersion", function (vwr, version) { if (version != null) { @@ -399,9 +445,10 @@ vwr.stateScriptVersionInt = 2147483647; Clazz.overrideMethod (c$, "addHydrogensInline", function (bsAtoms, vConnections, pts) { var iatom = bsAtoms.nextSetBit (0); -var modelIndex = (iatom < 0 ? this.vwr.ms.mc - 1 : this.vwr.ms.at[iatom].mi); -if (modelIndex != this.vwr.ms.mc - 1) return new JU.BS (); +var modelIndex = (iatom < 0 ? this.vwr.am.cmi : this.vwr.ms.at[iatom].mi); +if (modelIndex < 0) modelIndex = this.vwr.ms.mc - 1; var bsA = this.vwr.getModelUndeletedAtomsBitSet (modelIndex); +var wasAppendNew = this.vwr.g.appendNew; this.vwr.g.appendNew = false; var atomIndex = this.vwr.ms.ac; var atomno = this.vwr.ms.getAtomCountInModel (modelIndex); @@ -414,10 +461,13 @@ var sb = new JU.SB (); sb.appendI (pts.length).append ("\n").append ("Viewer.AddHydrogens").append ("#noautobond").append ("\n"); for (var i = 0; i < pts.length; i++) sb.append ("H ").appendF (pts[i].x).append (" ").appendF (pts[i].y).append (" ").appendF (pts[i].z).append (" - - - - ").appendI (++atomno).appendC ('\n'); -this.vwr.openStringInlineParamsAppend (sb.toString (), null, true); +var htParams = new java.util.Hashtable (); +htParams.put ("appendToModelIndex", Integer.$valueOf (modelIndex)); +this.vwr.openStringInlineParamsAppend (sb.toString (), htParams, true); this.eval.runScriptBuffer (sbConnect.toString (), null, false); var bsB = this.vwr.getModelUndeletedAtomsBitSet (modelIndex); bsB.andNot (bsA); +this.vwr.g.appendNew = wasAppendNew; return bsB; }, "JU.BS,JU.Lst,~A"); Clazz.defineStatics (c$, diff --git a/qmpy/web/static/js/jsmol/j2s/JS/ScriptMathProcessor.js b/qmpy/web/static/js/jsmol/j2s/JS/ScriptMathProcessor.js index 7e41a32d..5483d478 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/ScriptMathProcessor.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/ScriptMathProcessor.js @@ -783,13 +783,13 @@ case 268435538: if (x1.tok != 10 || x2.tok != 10) return false; return this.addXBs (JU.BSUtil.toggleInPlace (JU.BSUtil.copy (x1.value), x2.value)); case 268435858: -return this.addXBool (x1.asFloat () <= x2.asFloat ()); +return this.addXBool (x1.tok == 2 && x2.tok == 2 ? x1.intValue <= x2.intValue : x1.asFloat () <= x2.asFloat ()); case 268435857: -return this.addXBool (x1.asFloat () >= x2.asFloat ()); +return this.addXBool (x1.tok == 2 && x2.tok == 2 ? x1.intValue >= x2.intValue : x1.asFloat () >= x2.asFloat ()); case 268435856: -return this.addXBool (x1.asFloat () > x2.asFloat ()); +return this.addXBool (x1.tok == 2 && x2.tok == 2 ? x1.intValue > x2.intValue : x1.asFloat () > x2.asFloat ()); case 268435859: -return this.addXBool (x1.asFloat () < x2.asFloat ()); +return this.addXBool (x1.tok == 2 && x2.tok == 2 ? x1.intValue < x2.intValue : x1.asFloat () < x2.asFloat ()); case 268435860: return this.addXBool (JS.SV.areEqual (x1, x2)); case 268435861: @@ -824,8 +824,6 @@ return this.addXPt (JU.P3.new3 (pt.x + f, pt.y + f, pt.z + f)); } case 11: switch (x2.tok) { -default: -return this.addXFloat (x1.asFloat () + x2.asFloat ()); case 11: m = JU.M3.newM3 (x1.value); m.add (x2.value); @@ -833,6 +831,15 @@ return this.addXM3 (m); case 8: return this.addXM4 (JS.ScriptMathProcessor.getMatrix4f (x1.value, x2.value)); } +break; +case 12: +switch (x2.tok) { +case 8: +var m4b = JU.M4.newM4 (x1.value); +m4b.add (x2.value); +return this.addXM4 (m4b); +} +break; case 9: var q1 = JU.Quat.newP4 (x1.value); switch (x2.tok) { @@ -901,7 +908,7 @@ case 4: return (this.isDecimal (x2) || this.isDecimal (x1) ? this.addXFloat (x1.asFloat () * x2.asFloat ()) : this.addXInt (x1.asInt () * x2.asInt ())); } pt = (x1.tok == 11 || x1.tok == 12 ? this.ptValue (x2, null) : x2.tok == 11 ? this.ptValue (x1, null) : null); -pt4 = (x1.tok == 12 ? this.planeValue (x2) : x2.tok == 12 ? this.planeValue (x1) : null); +pt4 = (x1.tok == 12 ? JS.ScriptMathProcessor.planeValue (x2) : x2.tok == 12 ? JS.ScriptMathProcessor.planeValue (x1) : null); switch (x2.tok) { case 11: if (pt != null) { @@ -935,6 +942,15 @@ m.mul2 (m3, m); return this.addXM3 (m); case 9: return this.addXM3 (JU.Quat.newM (m3).mulQ (JU.Quat.newP4 (x2.value)).getMatrix ()); +case 7: +var l = x2.getList (); +var lnew = new JU.Lst (); +for (var i = l.size (); --i >= 0; ) { +var pt1 = JU.P3.newP (JS.SV.ptValue (l.get (i))); +m3.rotate (pt1); +lnew.add (pt1); +} +return this.addXList (lnew); } f = x2.asFloat (); var aa = new JU.A4 (); @@ -950,11 +966,22 @@ return (x2.tok == 7 ? this.addX (JS.SV.getVariableAF ( Clazz.newFloatArray (-1, }if (pt4 != null) { m4.transform (pt4); return (x2.tok == 7 ? this.addX (JS.SV.getVariableAF ( Clazz.newFloatArray (-1, [pt4.x, pt4.y, pt4.z, pt4.w]))) : this.addXPt4 (pt4)); -}if (x2.tok == 12) { +}switch (x2.tok) { +case 12: var m4b = JU.M4.newM4 (x2.value); m4b.mul2 (m4, m4b); return this.addXM4 (m4b); -}return this.addXStr ("NaN"); +case 7: +var l = x2.getList (); +var lnew = new JU.Lst (); +for (var i = l.size (); --i >= 0; ) { +var pt1 = JU.P3.newP (JS.SV.ptValue (l.get (i))); +m4.rotTrans (pt1); +lnew.add (pt1); +} +return this.addXList (lnew); +} +return this.addXStr ("NaN"); case 8: pt = JU.P3.newP (x1.value); switch (x2.tok) { @@ -1122,19 +1149,44 @@ break; } return null; }, "JS.SV,JU.BS"); -Clazz.defineMethod (c$, "planeValue", +c$.planeValue = Clazz.defineMethod (c$, "planeValue", function (x) { +var pt; switch (x.tok) { case 9: return x.value; case 7: +break; case 4: -var pt = JU.Escape.uP (JS.SV.sValue (x)); -return (Clazz.instanceOf (pt, JU.P4) ? pt : null); -case 10: +var s = x.value; +var isMinus = s.startsWith ("-"); +var f = (isMinus ? -1 : 1); +if (isMinus) s = s.substring (1); +var p4 = null; +switch (s.length < 2 ? -1 : "xy yz xz x= y= z=".indexOf (s.substring (0, 2))) { +case 0: +return JU.P4.new4 (1, 1, 0, f); +case 3: +return JU.P4.new4 (0, 1, 1, f); +case 6: +return JU.P4.new4 (1, 0, 1, f); +case 9: +p4 = JU.P4.new4 (1, 0, 0, -f * JU.PT.parseFloat (s.substring (2))); +break; +case 12: +p4 = JU.P4.new4 (0, 1, 0, -f * JU.PT.parseFloat (s.substring (2))); +break; +case 15: +p4 = JU.P4.new4 (0, 0, 1, -f * JU.PT.parseFloat (s.substring (2))); break; } +if (p4 != null && !Float.isNaN (p4.w)) return p4; +break; +default: return null; +} +pt = JU.Escape.uP (JS.SV.sValue (x)); +return (Clazz.instanceOf (pt, JU.P4) ? pt : null); }, "JS.T"); c$.typeOf = Clazz.defineMethod (c$, "typeOf", function (x) { @@ -1249,7 +1301,7 @@ case 1111492616: case 1111492617: case 1145047053: var ptfu = JU.P3.newP (x2.value); -this.vwr.toFractional (ptfu, false); +this.vwr.toFractional (ptfu, true); return (op.intValue == 1145047053 ? this.addXPt (ptfu) : this.addXFloat (op.intValue == 1111492615 ? ptfu.x : op.intValue == 1111492616 ? ptfu.y : ptfu.z)); case 1111490577: case 1111490578: @@ -1281,7 +1333,7 @@ var isAtoms = (op.intValue != 1677721602); if (!isAtoms && Clazz.instanceOf (x2.value, JM.BondSet)) return this.addX (x2); var bs = x2.value; if (isAtoms && bs.cardinality () == 1 && (op.intValue & 480) == 0) op.intValue |= 32; -var val = this.eval.getBitsetProperty (bs, null, op.intValue, null, null, x2.value, op.value, false, x2.index, true); +var val = this.eval.getBitsetProperty (bs, null, op.intValue, null, null, null, op.value, false, x2.index, true); return (isAtoms ? this.addXObj (val) : this.addX (JS.SV.newV (10, JM.BondSet.newBS (val, this.vwr.ms.getAtomIndices (bs))))); } return false; diff --git a/qmpy/web/static/js/jsmol/j2s/JS/ScriptParam.js b/qmpy/web/static/js/jsmol/j2s/JS/ScriptParam.js index dbddb590..21c535c3 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/ScriptParam.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/ScriptParam.js @@ -1,7 +1,8 @@ Clazz.declarePackage ("JS"); -Clazz.load (["JS.ScriptError"], "JS.ScriptParam", ["java.lang.Float", "java.util.Hashtable", "JU.BS", "$.CU", "$.Lst", "$.Measure", "$.P3", "$.P4", "$.PT", "$.Quat", "$.SB", "$.V3", "JM.TickInfo", "JS.SV", "$.T", "JU.BSUtil", "$.Edge", "$.Logger"], function () { +Clazz.load (["JS.ScriptError"], "JS.ScriptParam", ["java.lang.Float", "java.util.Hashtable", "JU.BS", "$.CU", "$.Lst", "$.Measure", "$.P3", "$.P4", "$.PT", "$.Quat", "$.SB", "$.V3", "JM.TickInfo", "JS.SV", "$.ScriptMathProcessor", "$.T", "JU.BSUtil", "$.Edge", "$.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.contextVariables = null; +this.contextFunctions = null; this.thisContext = null; this.iToken = 0; this.theTok = 0; @@ -199,9 +200,6 @@ var isNegated = (this.tokAt (i) == 268435616); if (isNegated) i++; if (i < this.slen) { switch (this.getToken (i).tok) { -case 9: -plane = JU.P4.newPt (this.theToken.value); -break; case 1073742330: var id = this.objectNameParameter (++i); if (this.chk) return new JU.P4 (); @@ -221,10 +219,8 @@ plane = JU.P4.new4 (0, 0, 1, -this.floatParameter (i)); break; case 1073741824: case 4: -var str = this.paramAsStr (i); -if (str.equalsIgnoreCase ("xy")) plane = JU.P4.new4 (0, 0, isNegated ? -1 : 1, 0); - else if (str.equalsIgnoreCase ("xz")) plane = JU.P4.new4 (0, isNegated ? -1 : 1, 0, 0); - else if (str.equalsIgnoreCase ("yz")) plane = JU.P4.new4 (isNegated ? -1 : 1, 0, 0, 0); +case 9: +plane = JS.ScriptMathProcessor.planeValue (this.theToken); break; case 1073742332: case 8: @@ -285,16 +281,20 @@ this.invArg (); return data; }, "JS.T"); Clazz.defineMethod (c$, "hklParameter", -function (i) { +function (i, getPts) { if (!this.chk && this.vwr.getCurrentUnitCell () == null) this.error (33); var pt = this.getPointOrPlane (i, false, true, false, true, 3, 3, true); -var p = this.getHklPlane (pt); +var offset = NaN; +if (this.tokAt (this.iToken + 1) == 1073742066) { +this.iToken++; +offset = this.floatParameter (++this.iToken); +}var p = this.getHklPlane (pt, offset, getPts); if (p == null) this.error (3); if (!this.chk && JU.Logger.debugging) JU.Logger.debug ("defined plane: " + p); return p; -}, "~N"); +}, "~N,~B"); Clazz.defineMethod (c$, "getHklPlane", -function (pt) { +function (pt, offset, getPts) { this.pt1 = JU.P3.new3 (pt.x == 0 ? 1 : 1 / pt.x, 0, 0); this.pt2 = JU.P3.new3 (0, pt.y == 0 ? 1 : 1 / pt.y, 0); this.pt3 = JU.P3.new3 (0, 0, pt.z == 0 ? 1 : 1 / pt.z); @@ -318,8 +318,16 @@ this.pt3.set (this.pt1.x, 0, 1); }this.vwr.toCartesian (this.pt1, false); this.vwr.toCartesian (this.pt2, false); this.vwr.toCartesian (this.pt3, false); -return JU.Measure.getPlaneThroughPoints (this.pt1, this.pt2, this.pt3, new JU.V3 (), new JU.V3 (), new JU.P4 ()); -}, "JU.P3"); +var v3 = new JU.V3 (); +var plane = JU.Measure.getPlaneThroughPoints (this.pt1, this.pt2, this.pt3, new JU.V3 (), v3, new JU.P4 ()); +if (!Float.isNaN (offset)) { +plane.w = offset; +if (getPts) { +JU.Measure.getPlaneProjection (this.pt1, plane, this.pt1, v3); +JU.Measure.getPlaneProjection (this.pt2, plane, this.pt2, v3); +JU.Measure.getPlaneProjection (this.pt3, plane, this.pt3, v3); +}}return plane; +}, "JU.P3,~N,~B"); Clazz.defineMethod (c$, "getPointOrPlane", function (index, integerOnly, allowFractional, doConvert, implicitFractional, minDim, maxDim, throwE) { var coord = Clazz.newFloatArray (6, 0); @@ -813,7 +821,7 @@ throw e; } } i = i * 1000000 + j; -return (i < 0 ? 2147483647 : i); +return (i < 0 || i > 2147483647 ? 2147483647 : i); }, "~S"); c$.getPartialBondOrderFromFloatEncodedInt = Clazz.defineMethod (c$, "getPartialBondOrderFromFloatEncodedInt", function (bondOrderInteger) { diff --git a/qmpy/web/static/js/jsmol/j2s/JS/ScriptTokenParser.js b/qmpy/web/static/js/jsmol/j2s/JS/ScriptTokenParser.js index 376dc800..e2da32a0 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/ScriptTokenParser.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/ScriptTokenParser.js @@ -2,6 +2,7 @@ Clazz.declarePackage ("JS"); Clazz.load (null, "JS.ScriptTokenParser", ["java.lang.Boolean", "$.Float", "JU.Lst", "$.P3", "$.PT", "J.i18n.GT", "JS.ScriptParam", "$.T", "JU.Logger", "$.SimpleUnitCell"], function () { c$ = Clazz.decorateAsClass (function () { this.vwr = null; +this.htUserFunctions = null; this.script = null; this.isStateScript = false; this.lineCurrent = 0; @@ -31,7 +32,6 @@ this.ltokenPostfix = null; this.isEmbeddedExpression = false; this.isCommaAsOrAllowed = false; this.theValue = null; -this.htUserFunctions = null; this.haveString = false; this.residueSpecCodeGenerated = false; this.errorMessage = null; @@ -476,6 +476,12 @@ break; if (isWithin && distance == 3.4028235E38) switch (tok0) { case 12290: break; +case 1094713350: +case 1094713349: +this.addTokenToPostfix (4, this.theValue); +this.clauseCell (8); +key = ""; +break; case 1111490587: case 1073742128: case 134218756: @@ -714,12 +720,13 @@ Clazz.defineMethod (c$, "clauseCell", function (tok) { var cell = new JU.P3 (); this.tokenNext (); +if (tok != 8) { if (!this.tokenNextTok (268435860)) return this.errorStr (15, "="); -if (this.getToken () == null) return this.error (3); +}if (this.getToken () == null) return this.error (3); if (this.theToken.tok == 2) { JU.SimpleUnitCell.ijkToPoint3f (this.theToken.intValue, cell, 1, 0); -return this.addTokenToPostfix (tok, cell); -}if (this.theToken.tok != 1073742332 || !this.getNumericalToken ()) return this.error (3); +} else { +if (this.theToken.tok != 1073742332 || !this.getNumericalToken ()) return this.error (3); cell.x = this.floatValue (); if (this.tokPeekIs (268435504)) this.tokenNext (); if (!this.getNumericalToken ()) return this.error (3); @@ -727,7 +734,7 @@ cell.y = this.floatValue (); if (this.tokPeekIs (268435504)) this.tokenNext (); if (!this.getNumericalToken () || !this.tokenNextTok (1073742338)) return this.error (3); cell.z = this.floatValue (); -return this.addTokenToPostfix (tok, cell); +}return this.addTokenToPostfix (tok, cell); }, "~N"); Clazz.defineMethod (c$, "clauseDefine", function (haveToken, forceString) { diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SmilesAtom.js b/qmpy/web/static/js/jsmol/j2s/JS/SmilesAtom.js index 38ebb6dc..36758227 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SmilesAtom.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SmilesAtom.js @@ -488,14 +488,18 @@ function () { return ""; }); c$.getAtomLabel = Clazz.defineMethod (c$, "getAtomLabel", -function (atomicNumber, isotopeNumber, valence, charge, osclass, nH, isAromatic, stereo) { +function (atomicNumber, isotopeNumber, valence, charge, osclass, nH, isAromatic, stereo, is2D) { var sym = JU.Elements.elementSymbolFromNumber (atomicNumber); if (isAromatic) { sym = sym.toLowerCase (); if (atomicNumber != 6) valence = 2147483647; -}var count = (valence == 2147483647 || isotopeNumber != 0 || charge != 0 || !Float.isNaN (osclass) || stereo != null && stereo.length > 0 ? -1 : JS.SmilesAtom.getDefaultCount (atomicNumber, false)); -return (count == valence ? sym : "[" + (isotopeNumber <= 0 ? "" : "" + isotopeNumber) + sym + (stereo == null ? "" : stereo) + (nH > 1 ? "H" + nH : nH == 1 ? "H" : "") + (charge < 0 && charge != -2147483648 ? "" + charge : charge > 0 ? "+" + charge : "") + (Float.isNaN (osclass) ? "" : ":" + Clazz.floatToInt (osclass)) + "]"); -}, "~N,~N,~N,~N,~N,~N,~B,~S"); +}var simple = (valence != 2147483647 && isotopeNumber == 0 && charge == 0 && Float.isNaN (osclass) && (stereo == null || stereo.length == 0)); +var norm = JS.SmilesAtom.getDefaultCount (atomicNumber, false); +if (is2D && nH == 0) { +if (simple && atomicNumber == 6) return sym; +nH = norm - valence; +}return (simple && norm == valence ? sym : "[" + (isotopeNumber <= 0 ? "" : "" + isotopeNumber) + sym + (stereo == null ? "" : stereo) + (nH > 1 ? "H" + nH : nH == 1 ? "H" : "") + (charge < 0 && charge != -2147483648 ? "" + charge : charge > 0 ? "+" + charge : "") + (Float.isNaN (osclass) ? "" : ":" + Clazz.floatToInt (osclass)) + "]"); +}, "~N,~N,~N,~N,~N,~N,~B,~S,~B"); Clazz.overrideMethod (c$, "getBioSmilesType", function () { return this.bioType; diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SmilesBond.js b/qmpy/web/static/js/jsmol/j2s/JS/SmilesBond.js index e7d272e3..c41156fe 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SmilesBond.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SmilesBond.js @@ -71,6 +71,7 @@ this.primitives = bond.primitives; this.nPrimitives = bond.nPrimitives; this.bondsOr = bond.bondsOr; this.nBondsOr = bond.nBondsOr; +this.atropType = bond.atropType; }, "JS.SmilesBond"); Clazz.defineMethod (c$, "setAtropType", function (nn) { @@ -160,10 +161,6 @@ default: return 1; } }, "~S,~B,~B"); -Clazz.defineMethod (c$, "getBondType", -function () { -return this.order; -}); Clazz.defineMethod (c$, "getValence", function () { return (this.order & 7); @@ -231,6 +228,10 @@ Clazz.defineMethod (c$, "getMatchingBond", function () { return this.matchingBond == null ? this : this.matchingBond; }); +Clazz.overrideMethod (c$, "getAtom", +function (i) { +return (i == 1 ? this.atom2 : this.atom1); +}, "~N"); Clazz.defineStatics (c$, "TYPE_UNKNOWN", -1, "TYPE_NONE", 0, diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SmilesExt.js b/qmpy/web/static/js/jsmol/j2s/JS/SmilesExt.js index 29219657..855493c1 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SmilesExt.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SmilesExt.js @@ -2,7 +2,6 @@ Clazz.declarePackage ("JS"); Clazz.load (null, "JS.SmilesExt", ["java.lang.Float", "JU.AU", "$.BS", "$.Lst", "$.M4", "$.Measure", "$.P3", "J.api.Interface", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.e = null; -this.sm = null; Clazz.instantialize (this, arguments); }, JS, "SmilesExt"); Clazz.makeConstructor (c$, @@ -11,7 +10,6 @@ function () { Clazz.defineMethod (c$, "init", function (se) { this.e = se; -this.sm = this.e.vwr.getSmilesMatcher (); return this; }, "~O"); Clazz.defineMethod (c$, "getSmilesCorrelation", @@ -25,14 +23,15 @@ ptsB = new JU.Lst (); var c = new JU.P3 (); var atoms = this.e.vwr.ms.at; var ac = this.e.vwr.ms.ac; -var maps = this.sm.getCorrelationMaps (smiles, atoms, ac, bsA, flags | 8); -if (maps == null) this.e.evalError (this.sm.getLastException (), null); +var sm = this.e.vwr.getSmilesMatcher (); +var maps = sm.getCorrelationMaps (smiles, atoms, ac, bsA, flags | 8); +if (maps == null) this.e.evalError (sm.getLastException (), null); if (maps.length == 0) return NaN; var mapFirst = maps[0]; for (var i = 0; i < mapFirst.length; i++) ptsA.addLast (atoms[mapFirst[i]]); -maps = this.sm.getCorrelationMaps (smiles, atoms, ac, bsB, flags); -if (maps == null) this.e.evalError (this.sm.getLastException (), null); +maps = sm.getCorrelationMaps (smiles, atoms, ac, bsB, flags); +if (maps == null) this.e.evalError (sm.getLastException (), null); if (maps.length == 0) return NaN; JU.Logger.info (maps.length + " mappings found"); if (bestMap || !asMap) { @@ -78,9 +77,9 @@ return 0; }, "JU.BS,JU.BS,~S,JU.Lst,JU.Lst,JU.M4,JU.Lst,~B,~A,JU.P3,~B,~N"); Clazz.defineMethod (c$, "getSmilesMatches", function (pattern, smiles, bsSelected, bsMatch3D, flags, asOneBitset, firstMatchOnly) { -if (pattern.length == 0 || pattern.endsWith ("///") || pattern.equals ("H") || pattern.equals ("top") || pattern.equalsIgnoreCase ("NOAROMATIC")) { +if (pattern.length == 0 || pattern.endsWith ("///") || pattern.equals ("H") || pattern.equals ("H2") || pattern.equals ("top") || pattern.equalsIgnoreCase ("NOAROMATIC")) { try { -return this.e.vwr.getSmilesOpt (bsSelected, 0, 0, flags | (pattern.equals ("H") ? 4096 : 0) | (pattern.equals ("top") ? 8192 : 0) | (pattern.equalsIgnoreCase ("NOAROMATIC") ? 16 : 0), (pattern.endsWith ("///") ? pattern : null)); +return this.e.vwr.getSmilesOpt (bsSelected, 0, 0, flags | (pattern.equals ("H2") ? 8192 : 0) | (pattern.equals ("H") ? 4096 : 0) | (pattern.equals ("top") ? 16384 : 0) | (pattern.equalsIgnoreCase ("NOAROMATIC") ? 16 : 0), (pattern.endsWith ("///") ? pattern : null)); } catch (ex) { if (Clazz.exceptionOf (ex, Exception)) { this.e.evalError (ex.getMessage (), null); @@ -90,15 +89,15 @@ throw ex; } }var b; if (bsMatch3D == null) { -var isSmarts = ((flags & 2) == 2); -var isOK = true; try { if (smiles == null) { b = this.e.vwr.getSubstructureSetArray (pattern, bsSelected, flags); } else if (pattern.equals ("chirality")) { return this.e.vwr.calculateChiralityForSmiles (smiles); } else { -var map = this.sm.find (pattern, smiles, (isSmarts ? 2 : 1) | (firstMatchOnly ? 8 : 0)); +var isSmarts = ((flags & 2) == 2); +var ignoreElements = ((flags & 16384) == 16384); +var map = this.e.vwr.getSmilesMatcher ().find (pattern, smiles, (isSmarts ? 2 : 1) | (firstMatchOnly ? 8 : 0) | (ignoreElements ? 16384 : 0)); if (!asOneBitset) return (!firstMatchOnly ? map : map.length == 0 ? Clazz.newIntArray (0, 0) : map[0]); var bs = new JU.BS (); for (var j = 0; j < map.length; j++) { @@ -171,4 +170,32 @@ if (v - diff[i][0] > 180) v -= 360; }diff[i][pt] = v; } }, "~A,~A,~A,~N"); +Clazz.defineMethod (c$, "mapPolyhedra", +function (i1, i2, isSmiles, m) { +var ptsA = new JU.Lst (); +var ptsB = new JU.Lst (); +var data; +data = Clazz.newArray (-1, [Integer.$valueOf (i1), null]); +this.e.getShapePropertyData (21, "syminfo", data); +var p1 = data[1]; +data[0] = Integer.$valueOf (i2); +data[1] = null; +this.e.getShapePropertyData (21, "syminfo", data); +var p2 = data[1]; +if (p1 == null || p2 == null) return NaN; +var smiles1 = p1.get ("polySmiles"); +var smiles2 = p2.get ("polySmiles"); +var map = this.getSmilesMatches (smiles2, smiles1, null, null, isSmiles ? 1 : 16385, false, true); +if (map.length == 0) return NaN; +ptsA.addLast (p1.get ("center")); +var a = p1.get ("vertices"); +for (var i = 0, n = a.length; i < n; i++) ptsA.add (a[map[i + 1] - 1]); + +ptsB.addLast (p2.get ("center")); +a = p2.get ("vertices"); +for (var i = 0, n = a.length; i < n; i++) ptsB.add (a[i]); + +J.api.Interface.getInterface ("JU.Eigen", this.e.vwr, "script"); +return JU.Measure.getTransformMatrix4 (ptsA, ptsB, m, null); +}, "~N,~N,~B,JU.M4"); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SmilesGenerator.js b/qmpy/web/static/js/jsmol/j2s/JS/SmilesGenerator.js index 590e71b1..2bc70307 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SmilesGenerator.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SmilesGenerator.js @@ -6,7 +6,7 @@ this.ac = 0; this.bsSelected = null; this.bsAromatic = null; this.flags = 0; -this.explicitH = false; +this.explicitH = 0; this.ringSets = null; this.vTemp = null; this.nPairs = 0; @@ -14,6 +14,7 @@ this.nPairsMax = 0; this.bsBondsUp = null; this.bsBondsDn = null; this.bsToDo = null; +this.bsIgnoreH = new JU.BS (); this.prevAtom = null; this.prevSp2Atoms = null; this.alleneStereo = null; @@ -34,6 +35,7 @@ this.isPolyhedral = false; this.aromaticRings = null; this.sm = null; this.iHypervalent = 0; +this.is2D = false; this.ptAtom = 0; this.ptSp2Atom0 = 0; this.atemp = null; @@ -57,17 +59,36 @@ this.flags = flags; this.atoms = atoms; this.ac = ac; bsSelected = JU.BSUtil.copy (bsSelected); -this.bsSelected = bsSelected; +this.bsSelected = JU.BS.copy (bsSelected); this.flags = flags = JS.SmilesSearch.addFlags (flags, comment == null ? "" : comment.toUpperCase ()); if ((flags & 1048576) == 1048576) return this.getBioSmiles (bsSelected, comment, flags); this.openSMILES = ((flags & 5) == 5); this.addAtomComment = ((flags & 131072) == 131072); this.aromaticDouble = ((flags & 512) == 512); -this.explicitH = ((flags & 4096) == 4096); -this.topologyOnly = ((flags & 8192) == 8192); +this.explicitH = ((flags & 8192) == 8192 ? 8192 : (flags & 4096) == 4096 ? 4096 : 0); +if (this.explicitH == 8192) { +var bsHa = new JU.BS (); +for (var i = bsSelected.nextSetBit (0); i >= 0; i = bsSelected.nextSetBit (i + 1)) { +var a = atoms[i]; +if (a.getCovalentHydrogenCount () == 3 && (a.getCovalentBondCount () == 4)) { +var doIgnore = true; +bsHa.clearAll (); +for (var j = a.getBondCount (); --j >= 0; ) { +var aj = a.getBondedAtomIndex (j); +if (atoms[aj].getElementNumber () == 1) { +doIgnore = (atoms[aj].getElementNumber () == 1); +if (doIgnore) bsHa.set (aj); + else break; +}if (doIgnore) { +this.bsIgnoreH.set (i); +bsSelected.andNot (bsHa); +}} +}} +}this.topologyOnly = ((flags & 16384) == 16384); this.getAromatic = !((flags & 16) == 16); this.noStereo = ((flags & 32) == 32); this.isPolyhedral = ((flags & 65536) == 65536); +this.is2D = ((flags & 134217728) == 134217728); return this.getSmilesComponent (atoms[ipt], bsSelected, true, false, false); }, "JS.SmilesMatcher,~A,~N,JU.BS,~S,~N"); Clazz.defineMethod (c$, "getBioSmiles", @@ -186,14 +207,14 @@ sb.append (JU.Elements.elementNameFromNumber (atom.getElementNumber ())); }, "JU.SB,JU.Node,~S,~B"); Clazz.defineMethod (c$, "getSmilesComponent", function (atom, bs, allowBioResidues, allowConnectionsToOutsideWorld, forceBrackets) { -if (!this.explicitH && atom.getAtomicAndIsotopeNumber () == 1 && atom.getEdges ().length > 0) atom = this.atoms[atom.getBondedAtomIndex (0)]; +if (this.explicitH == 0 && atom.getAtomicAndIsotopeNumber () == 1 && atom.getEdges ().length > 0) atom = this.atoms[atom.getBondedAtomIndex (0)]; this.bsSelected = JU.JmolMolecule.getBranchBitSet (this.atoms, atom.getIndex (), JU.BSUtil.copy (bs), null, -1, true, allowBioResidues); bs.andNot (this.bsSelected); this.iHypervalent = -1; for (var i = this.bsSelected.nextSetBit (0); i >= 0 && this.iHypervalent < 0; i = this.bsSelected.nextSetBit (i + 1)) if (this.atoms[i].getCovalentBondCount () > 4 || this.isPolyhedral) this.iHypervalent = i; this.bsIncludingH = JU.BSUtil.copy (this.bsSelected); -if (!this.explicitH) for (var j = this.bsSelected.nextSetBit (0); j >= 0; j = this.bsSelected.nextSetBit (j + 1)) { +if (this.explicitH == 0) for (var j = this.bsSelected.nextSetBit (0); j >= 0; j = this.bsSelected.nextSetBit (j + 1)) { var a = this.atoms[j]; if (a.getAtomicAndIsotopeNumber () == 1 && a.getBondCount () > 0 && a.getBondedAtomIndex (0) != this.iHypervalent) this.bsSelected.clear (j); } @@ -234,12 +255,12 @@ var keys = this.sm.getAtropisomerKeys (s, this.atoms, this.ac, this.bsSelected, for (var i = 1; i < keys.length; ) { var pt = s.indexOf ("^-"); if (pt < 0) break; -s = s.substring (0, pt + 1) + keys.substring (i, i + 2) + s.substring (pt + 1); +s = s.substring (0, pt + 1) + keys.substring (i, i + 3).trim () + s.substring (pt + 1); i += 3; } } catch (e) { if (Clazz.exceptionOf (e, Exception)) { -System.out.println ("???"); +e.printStackTrace (); s = s0; } else { throw e; @@ -304,7 +325,7 @@ var atomA = atom12[j]; var bb = (atomA).getEdges (); for (var b = 0; b < bb.length; b++) { var other; -if (bb[b].getCovalentOrder () != 1 || !this.explicitH && (other = bb[b].getOtherNode (atomA)).getElementNumber () == 1 && other.getIsotopeNumber () == 0) continue; +if (bb[b].getCovalentOrder () != 1 || this.explicitH == 0 && (other = bb[b].getOtherNode (atomA)).getElementNumber () == 1 && other.getIsotopeNumber () == 0) continue; edges[j][edgeCount++] = bb[b]; if (this.getBondStereochemistry (bb[b], atomA) != '\0') { b0 = bb[b]; @@ -345,7 +366,7 @@ var atomIndex = atom.getIndex (); if (!this.bsToDo.get (atomIndex)) return null; this.ptAtom++; this.bsToDo.clear (atomIndex); -var includeHs = (atomIndex == this.iHypervalent || this.explicitH); +var includeHs = (atomIndex == this.iHypervalent || this.explicitH != 0 && !this.bsIgnoreH.get (atomIndex)); var isExtension = (!this.bsSelected.get (atomIndex)); var prevIndex = (this.prevAtom == null ? -1 : this.prevAtom.getIndex ()); var isAromatic = this.bsAromatic.get (atomIndex); @@ -361,7 +382,7 @@ var bondPrev = null; var bonds = atom.getEdges (); if (this.polySmilesCenter != null) { allowBranches = false; -this.sortBonds (atom, this.prevAtom, this.polySmilesCenter); +this.sortPolyBonds (atom, this.prevAtom, this.polySmilesCenter); }var aH = null; var stereoFlag = (isAromatic ? 10 : 0); if (JU.Logger.debugging) JU.Logger.debug (sb.toString ()); @@ -511,7 +532,7 @@ var groupType = (atom).getBioStructureTypeName (); if (this.addAtomComment) sb.append ("\n//* " + atom.toString () + " *//\t"); if (this.topologyOnly) sb.append ("*"); else if (isExtension && groupType.length != 0 && atomName.length != 0) this.addBracketedBioName (sb, atom, "." + atomName, false); - else sb.append (JS.SmilesAtom.getAtomLabel (atomicNumber, isotope, (forceBrackets ? -1 : valence), charge, osclass, nH, isAromatic, atat != null ? atat : this.noStereo ? null : this.checkStereoPairs (atom, this.alleneStereo == null ? atomIndex : -1, stereo, stereoFlag))); + else sb.append (JS.SmilesAtom.getAtomLabel (atomicNumber, isotope, (forceBrackets ? -1 : valence), charge, osclass, nH, isAromatic, atat != null ? atat : this.noStereo ? null : this.checkStereoPairs (atom, this.alleneStereo == null ? atomIndex : -1, stereo, stereoFlag, prevIndex == -1), this.is2D)); sb.appendSB (sbRings); if (bondNext != null) { sb.appendSB (sbBranches); @@ -558,7 +579,7 @@ for (var i = this.aromaticRings.size (); --i >= 0; ) if ((bs = this.aromaticRing return false; }, "~N,~N"); -Clazz.defineMethod (c$, "sortBonds", +Clazz.defineMethod (c$, "sortPolyBonds", function (atom, refAtom, center) { if (this.smilesStereo == null) try { this.smilesStereo = JS.SmilesStereo.newStereo (null); @@ -568,7 +589,7 @@ if (Clazz.exceptionOf (e, JS.InvalidSmilesException)) { throw e; } } -this.smilesStereo.sortBondsByStereo (atom, refAtom, center, atom.getEdges (), this.vTemp.vA); +this.smilesStereo.sortPolyBondsByStereo (atom, refAtom, center, atom.getEdges (), this.vTemp.vA); }, "JU.SimpleNode,JU.SimpleNode,JU.P3"); Clazz.defineMethod (c$, "sortInorganic", function (atom, v, vTemp) { @@ -640,26 +661,55 @@ stereo[i + 1] = bond1.getOtherNode (atom); } v.addLast (pair0[1]); stereo[n - 1] = pair0[1].getOtherNode (atom); -return JS.SmilesStereo.getStereoFlag (atom, stereo, n, vTemp); +return JS.SmilesStereo.getStereoFlag (atom, stereo, n, vTemp, this.is2D); }, "JU.SimpleNode,JU.Lst,JS.VTemp"); Clazz.defineMethod (c$, "checkStereoPairs", - function (atom, atomIndex, stereo, stereoFlag) { -if (stereoFlag < 4) return ""; -if (atomIndex >= 0 && stereoFlag == 4 && (atom.getElementNumber ()) == 6) { + function (atom, atomIndex, stereo, stereoFlag, isFirst) { +if (stereoFlag == 10 || stereoFlag < (this.is2D ? 3 : 4)) return ""; +if (this.explicitH == 0 && atomIndex >= 0 && stereoFlag == 4 && (atom.getElementNumber ()) == 6) { var s = ""; for (var i = 0; i < 4; i++) { if ((s = this.addStereoCheck (0, atomIndex, stereo[i], s, JU.BSUtil.newAndSetBit (atomIndex))) == null) { -stereoFlag = 10; +return ""; +}} +}if (this.is2D) { +var dir = (stereoFlag == 4 || !isFirst ? 1 : -1); +var bonds = atom.getEdges (); +var c = null; +for (var i = atom.getBondCount (); --i >= 0; ) { +var b = bonds[i]; +if (atom === b.getAtom (0)) { +switch (b.getBondType ()) { +case 1025: +this.setStereoTemp (stereo, c = b.getAtom (1), dir); +break; +case 1041: +this.setStereoTemp (stereo, c = b.getAtom (1), -dir); +break; +} +}} +if (c == null) return ""; +if (stereoFlag == 3) { +stereo[stereoFlag++] = c; +}}return JS.SmilesStereo.getStereoFlag (atom, stereo, stereoFlag, this.vTemp, this.is2D); +}, "JU.SimpleNode,~N,~A,~N,~B"); +Clazz.defineMethod (c$, "setStereoTemp", + function (stereo, a, z) { +for (var i = 0; i < 4; i++) { +if (stereo[i] === a) { +var b = new JS.SmilesAtom (); +var c = a.getXYZ (); +b.set (c.x, c.y, z); +stereo[i] = b; break; }} -}return (stereoFlag > 6 ? "" : JS.SmilesStereo.getStereoFlag (atom, stereo, stereoFlag, this.vTemp)); -}, "JU.SimpleNode,~N,~A,~N"); +}, "~A,JU.SimpleNode,~N"); Clazz.defineMethod (c$, "addStereoCheck", function (level, atomIndex, atom, s, bsDone) { if (bsDone != null) bsDone.set (atomIndex); var n = (atom).getAtomicAndIsotopeNumber (); var nx = atom.getCovalentBondCount (); -var nh = (n == 6 && !this.explicitH ? (atom).getCovalentHydrogenCount () : 0); +var nh = (n == 6 && this.explicitH != 0 ? (atom).getCovalentHydrogenCount () : 0); if (n == 6 ? nx != 4 : n == 1 || nx > 1) return s + (++this.chainCheck); var sa = ";" + level + "/" + n + "/" + nh + "/" + nx + (level == 0 ? "," : "_"); if (n == 6) { diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SmilesMatcher.js b/qmpy/web/static/js/jsmol/j2s/JS/SmilesMatcher.js index bb9b0108..9a3cbefb 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SmilesMatcher.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SmilesMatcher.js @@ -1,41 +1,52 @@ Clazz.declarePackage ("JS"); Clazz.load (["J.api.SmilesMatcherInterface"], "JS.SmilesMatcher", ["JU.AU", "$.BS", "$.PT", "JS.InvalidSmilesException", "$.SmilesAtom", "$.SmilesBond", "$.SmilesGenerator", "$.SmilesParser", "$.SmilesSearch", "JU.BSUtil", "$.Elements", "$.Logger", "$.Node", "$.Point3fi"], function () { -c$ = Clazz.declareType (JS, "SmilesMatcher", null, J.api.SmilesMatcherInterface); +c$ = Clazz.decorateAsClass (function () { +this.okMF = true; +Clazz.instantialize (this, arguments); +}, JS, "SmilesMatcher", null, J.api.SmilesMatcherInterface); Clazz.overrideMethod (c$, "getLastException", function () { -return JS.InvalidSmilesException.getLastError (); +return (this.okMF == true ? JS.InvalidSmilesException.getLastError () : "MF_FAILED"); }); Clazz.overrideMethod (c$, "getMolecularFormula", function (pattern, isSmarts) { -JS.InvalidSmilesException.clear (); +this.clearExceptions (); var search = JS.SmilesParser.newSearch ("/nostereo/" + pattern, isSmarts, true); search.createTopoMap (null); search.nodes = search.targetAtoms; return search.getMolecularFormula (!isSmarts, null, false); }, "~S,~B"); +Clazz.defineMethod (c$, "clearExceptions", + function () { +this.okMF = true; +JS.InvalidSmilesException.clear (); +}); Clazz.overrideMethod (c$, "getSmiles", function (atoms, ac, bsSelected, bioComment, flags) { -JS.InvalidSmilesException.clear (); +this.clearExceptions (); return ( new JS.SmilesGenerator ()).getSmiles (this, atoms, ac, bsSelected, bioComment, flags); }, "~A,~N,JU.BS,~S,~N"); Clazz.overrideMethod (c$, "areEqual", function (smiles1, smiles2) { -JS.InvalidSmilesException.clear (); -var result = this.findPriv (smiles1, JS.SmilesParser.newSearch (smiles2, false, true), (smiles1.indexOf ("*") >= 0 ? 2 : 1) | 8, 2); +this.clearExceptions (); +var isWild = (smiles1.indexOf ("*") >= 0); +if (!isWild && smiles1.equals (smiles2)) return 1; +var flags = (isWild ? 2 : 1) | 8; +var result = this.matchPriv (smiles1, null, 0, null, null, false, flags, 2, JS.SmilesParser.newSearch (smiles2, false, true)); return (result == null ? -1 : result.length); }, "~S,~S"); Clazz.defineMethod (c$, "areEqualTest", function (smiles, search) { -var ret = this.findPriv (smiles, search, 9, 2); +var ret = this.matchPriv (smiles, null, 0, null, null, false, 9, 2, search); return (ret != null && ret.length == 1); }, "~S,JS.SmilesSearch"); Clazz.overrideMethod (c$, "find", function (pattern, target, flags) { -JS.InvalidSmilesException.clear (); +this.clearExceptions (); target = JS.SmilesParser.cleanPattern (target); pattern = JS.SmilesParser.cleanPattern (pattern); var search = JS.SmilesParser.newSearch (target, false, true); -var array = this.findPriv (pattern, search, flags, 3); +var array = this.matchPriv (pattern, null, 0, null, null, false, flags, 3, search); for (var i = array.length; --i >= 0; ) { var a = array[i]; for (var j = a.length; --j >= 0; ) a[j] = (search.targetAtoms[a[j]]).mapIndex; @@ -45,7 +56,7 @@ return array; }, "~S,~S,~N"); Clazz.overrideMethod (c$, "getAtoms", function (target) { -JS.InvalidSmilesException.clear (); +this.clearExceptions (); target = JS.SmilesParser.cleanPattern (target); var search = JS.SmilesParser.newSearch (target, false, true); search.createTopoMap ( new JU.BS ()); @@ -81,11 +92,11 @@ return smiles; }, "~S"); Clazz.overrideMethod (c$, "getSubstructureSet", function (pattern, atoms, ac, bsSelected, flags) { -return this.matchPriv (pattern, atoms, ac, bsSelected, null, true, flags | JS.SmilesParser.getFlags (pattern), 1); +return this.matchPriv (pattern, atoms, ac, bsSelected, null, true, flags | JS.SmilesParser.getFlags (pattern), 1, null); }, "~S,~A,~N,JU.BS,~N"); Clazz.overrideMethod (c$, "getMMFF94AtomTypes", function (smarts, atoms, ac, bsSelected, ret, vRings) { -JS.InvalidSmilesException.clear (); +this.clearExceptions (); var sp = new JS.SmilesParser (true, true); var search = null; var flags = (770); @@ -114,11 +125,11 @@ if (bsDone.cardinality () == ac) return; }, "~A,~A,~N,JU.BS,JU.Lst,~A"); Clazz.overrideMethod (c$, "getSubstructureSetArray", function (pattern, atoms, ac, bsSelected, bsAromatic, flags) { -return this.matchPriv (pattern, atoms, ac, bsSelected, bsAromatic, true, flags, 2); +return this.matchPriv (pattern, atoms, ac, bsSelected, bsAromatic, true, flags, 2, null); }, "~S,~A,~N,JU.BS,JU.BS,~N"); Clazz.defineMethod (c$, "getAtropisomerKeys", function (pattern, atoms, ac, bsSelected, bsAromatic, flags) { -return this.matchPriv (pattern, atoms, ac, bsSelected, bsAromatic, false, flags, 4); +return this.matchPriv (pattern, atoms, ac, bsSelected, bsAromatic, false, flags, 4, null); }, "~S,~A,~N,JU.BS,JU.BS,~N"); Clazz.overrideMethod (c$, "polyhedronToSmiles", function (center, faces, atomCount, points, flags, details) { @@ -133,6 +144,7 @@ atoms[i].atomNumber = (pt).getAtomNumber (); atoms[i].setT (pt); } else { atoms[i].elementNumber = (Clazz.instanceOf (pt, JU.Point3fi) ? (pt).sD : -2); +if (pt != null) atoms[i].setT (pt); }atoms[i].index = i; } var nBonds = 0; @@ -155,58 +167,74 @@ if (n == 0 || n != atoms[i].bonds.length) atoms[i].bonds = JU.AU.arrayCopyObject var s = null; var g = new JS.SmilesGenerator (); if (points != null) g.polySmilesCenter = center; -JS.InvalidSmilesException.clear (); +this.clearExceptions (); s = g.getSmiles (this, atoms, atomCount, JU.BSUtil.newBitSet2 (0, atomCount), null, flags | 4096 | 16 | 32); if ((flags & 65536) == 65536) { -s = "//* " + center + " *//\t[" + JU.Elements.elementSymbolFromNumber (center.getElementNumber ()) + "@PH" + atomCount + (details == null ? "" : "/" + details + "/") + "]." + s; +s = ((flags & 131072) == 0 ? "" : "//* " + center + " *//\t") + "[" + JU.Elements.elementSymbolFromNumber (center.getElementNumber ()) + "@PH" + atomCount + (details == null ? "" : "/" + details + "/") + "]." + s; }return s; }, "JU.Node,~A,~N,~A,~N,~S"); Clazz.overrideMethod (c$, "getCorrelationMaps", function (pattern, atoms, atomCount, bsSelected, flags) { -return this.matchPriv (pattern, atoms, atomCount, bsSelected, null, true, flags, 3); +return this.matchPriv (pattern, atoms, atomCount, bsSelected, null, true, flags, 3, null); }, "~S,~A,~N,JU.BS,~N"); -Clazz.defineMethod (c$, "findPriv", - function (pattern, search, flags, mode) { -var bsAromatic = new JU.BS (); -search.setFlags (search.flags | JS.SmilesParser.getFlags (pattern)); -search.createTopoMap (bsAromatic); -return this.matchPriv (pattern, search.targetAtoms, -search.targetAtoms.length, null, bsAromatic, bsAromatic.isEmpty (), flags, mode); -}, "~S,JS.SmilesSearch,~N,~N"); Clazz.defineMethod (c$, "matchPriv", - function (pattern, atoms, ac, bsSelected, bsAromatic, doTestAromatic, flags, mode) { -JS.InvalidSmilesException.clear (); + function (pattern, atoms, ac, bsSelected, bsAromatic, doTestAromatic, flags, mode, searchTarget) { +this.clearExceptions (); try { var isSmarts = ((flags & 2) == 2); var search = JS.SmilesParser.newSearch (pattern, isSmarts, false); +var isTopo = ((flags & 16384) == 16384); +if (searchTarget != null) { +search.haveTopo = true; +bsAromatic = new JU.BS (); +searchTarget.setFlags (searchTarget.flags | JS.SmilesParser.getFlags (pattern)); +searchTarget.createTopoMap (bsAromatic); +atoms = searchTarget.targetAtoms; +ac = searchTarget.targetAtoms.length; +if (isSmarts) { +var a1 = searchTarget.elementCounts; +var a2 = search.elementCounts; +for (var i = Math.max (searchTarget.elementNumberMax, search.elementNumberMax); i > 0; i--) { +if (a1[i] < a2[i]) { +this.okMF = false; +break; +}} +} else { +var mf = (isTopo ? null : search.getMolecularFormulaImpl (true, null, false)); +this.okMF = (mf == null || mf.equals (searchTarget.getMolecularFormulaImpl (true, null, false))); +}searchTarget.mf = search.mf = null; +}if (this.okMF) { if (!isSmarts && !search.patternAromatic) { if (bsAromatic == null) bsAromatic = new JU.BS (); -JS.SmilesSearch.normalizeAromaticity (search.patternAtoms, bsAromatic, search.flags); +search.normalizeAromaticity (bsAromatic); search.isNormalized = true; }search.targetAtoms = atoms; -search.targetAtomCount = Math.abs (ac); -if (ac < 0) search.haveTopo = true; +search.targetAtomCount = ac; +search.setSelected (bsSelected); if (ac != 0 && (bsSelected == null || !bsSelected.isEmpty ())) { var is3D = !(Clazz.instanceOf (atoms[0], JS.SmilesAtom)); -search.setSelected (bsSelected); search.getSelections (); if (!doTestAromatic) search.bsAromatic = bsAromatic; search.setRingData (null, null, is3D || doTestAromatic); search.exitFirstMatch = ((flags & 8) == 8); search.mapUnique = ((flags & 128) == 128); -}switch (mode) { +}}switch (mode) { case 1: search.asVector = false; -return search.search (); +return (this.okMF ? search.search () : new JU.BS ()); case 2: +if (!this.okMF) return new Array (0); search.asVector = true; var vb = search.search (); return vb.toArray ( new Array (vb.size ())); case 4: +if (!this.okMF) return ""; search.exitFirstMatch = true; search.setAtropicity = true; search.search (); return search.atropKeys; case 3: +if (!this.okMF) return Clazz.newIntArray (0, 0, 0); search.getMaps = true; search.setFlags (flags | search.flags); var vl = search.search (); @@ -215,14 +243,14 @@ return vl.toArray (JU.AU.newInt2 (vl.size ())); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { if (JU.Logger.debugging) e.printStackTrace (); -if (JS.InvalidSmilesException.getLastError () == null) JS.InvalidSmilesException.clear (); +if (JS.InvalidSmilesException.getLastError () == null) this.clearExceptions (); throw new JS.InvalidSmilesException (JS.InvalidSmilesException.getLastError ()); } else { throw e; } } return null; -}, "~S,~A,~N,JU.BS,JU.BS,~B,~N,~N"); +}, "~S,~A,~N,JU.BS,JU.BS,~B,~N,~N,JS.SmilesSearch"); Clazz.overrideMethod (c$, "cleanSmiles", function (smiles) { return JS.SmilesParser.cleanPattern (smiles); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SmilesParser.js b/qmpy/web/static/js/jsmol/j2s/JS/SmilesParser.js index 091d63d8..f1a8e7db 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SmilesParser.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SmilesParser.js @@ -512,7 +512,7 @@ if (this.isSmarts && ch == '!') { ch = JS.SmilesParser.getChar (pattern, ++index); if (ch == '\0') throw new JS.InvalidSmilesException ("invalid '!'"); newAtom.not = isNot = true; -}var biopt = pattern.indexOf ('.'); +}var biopt = (pattern.indexOf ("@PH") >= 0 ? -1 : pattern.indexOf ('.')); if (biopt >= 0) { newAtom.isBioResidue = true; var resOrName = pattern.substring (index, biopt); @@ -770,7 +770,7 @@ Clazz.defineMethod (c$, "checkLogic", var pt = pattern.lastIndexOf ("!"); if (atom != null) atom.pattern = pattern; while (pt > 0) { -if (",;&!".indexOf (pattern.charAt (pt - 1)) < 0) pattern = pattern.substring (0, pt) + "&" + pattern.substring (pt); +if (",;&!(".indexOf (pattern.charAt (pt - 1)) < 0) pattern = pattern.substring (0, pt) + "&" + pattern.substring (pt); pt = pattern.lastIndexOf ("!", pt - 1); } pt = pattern.indexOf (','); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SmilesSearch.js b/qmpy/web/static/js/jsmol/j2s/JS/SmilesSearch.js index b26075da..63cb6f4c 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SmilesSearch.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SmilesSearch.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JS"); -Clazz.load (["JU.JmolMolecule", "JU.BS", "$.Lst"], "JS.SmilesSearch", ["java.lang.Float", "java.util.Hashtable", "JU.AU", "$.SB", "JS.InvalidSmilesException", "$.SmilesAromatic", "$.SmilesAtom", "$.SmilesBond", "$.SmilesMeasure", "$.SmilesParser", "$.VTemp", "JU.BSUtil", "$.Edge", "$.Logger"], function () { +Clazz.load (["JU.JmolMolecule", "JU.BS", "$.Lst"], "JS.SmilesSearch", ["java.lang.Float", "java.util.Hashtable", "JU.AU", "$.SB", "JS.InvalidSmilesException", "$.SmilesAromatic", "$.SmilesAtom", "$.SmilesBond", "$.SmilesMeasure", "$.SmilesParser", "$.SmilesStereo", "$.VTemp", "JU.BSUtil", "$.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.isSmarts = false; this.top = null; @@ -18,6 +18,7 @@ this.aromaticDefined = false; this.aromaticUnknown = false; this.noAromatic = false; this.ignoreAtomClass = false; +this.ignoreElement = false; this.ignoreStereochemistry = false; this.invertStereochemistry = false; this.exitFirstMatch = false; @@ -65,6 +66,8 @@ this.bsReturn = null; this.bsCheck = null; this.mapUnique = false; this.bsAromaticRings = null; +this.polyhedronStereo = null; +this.polyAtom = null; Clazz.instantialize (this, arguments); }, JS, "SmilesSearch", JU.JmolMolecule); Clazz.prepareFields (c$, function () { @@ -92,7 +95,8 @@ c$.addFlags = Clazz.defineMethod (c$, "addFlags", function (flags, strFlags) { if (strFlags.indexOf ("OPEN") >= 0) flags |= 5; if (strFlags.indexOf ("BIO") >= 0) flags |= 1048576; -if (strFlags.indexOf ("HYDROGEN") >= 0) flags |= 4096; +if (strFlags.indexOf ("HYDROGEN2") >= 0) flags |= 8192; + else if (strFlags.indexOf ("HYDROGEN") >= 0) flags |= 4096; if (strFlags.indexOf ("FIRSTMATCHONLY") >= 0) flags |= 8; if (strFlags.indexOf ("STRICT") >= 0) flags |= 256; if (strFlags.indexOf ("PLANAR") >= 0) flags |= 1024; @@ -100,7 +104,7 @@ if (strFlags.indexOf ("NOAROMATIC") >= 0 || strFlags.indexOf ("NONAROMATIC") >= if (strFlags.indexOf ("AROMATICDOUBLE") >= 0) flags |= 512; if (strFlags.indexOf ("AROMATICDEFINED") >= 0) flags |= 128; if (strFlags.indexOf ("MMFF94") >= 0) flags |= 768; -if (strFlags.indexOf ("TOPOLOGY") >= 0) flags |= 8192; +if (strFlags.indexOf ("TOPOLOGY") >= 0) flags |= 16384; if (strFlags.indexOf ("NOATOMCLASS") >= 0) flags |= 2048; if (strFlags.indexOf ("NOSTEREO") >= 0) { flags |= 32; @@ -126,12 +130,13 @@ this.aromaticStrict = ((flags & 256) == 256); this.aromaticPlanar = ((flags & 1024) == 1024); this.aromaticMMFF94 = ((flags & 768) == 768); this.aromaticDefined = ((flags & 128) == 128); -this.noAromatic = ((flags & 16) == 16); +this.noAromatic = new Boolean (this.noAromatic | ((flags & 16) == 16)).valueOf (); this.aromaticUnknown = !this.noAromatic && !this.aromaticOpen && !this.aromaticDouble && !this.aromaticStrict && !this.aromaticPlanar && !this.aromaticMMFF94 && !this.aromaticDefined; this.groupByModel = ((flags & 67108864) == 67108864); this.ignoreAtomClass = ((flags & 2048) == 2048); this.ignoreStereochemistry = ((flags & 32) == 32); this.invertStereochemistry = !this.ignoreStereochemistry && ((flags & 64) == 64); +this.ignoreElement = ((flags & 16384) == 16384); }, "~N"); Clazz.defineMethod (c$, "set", function () { @@ -164,6 +169,7 @@ for (var k = this.ac; --k >= 0; ) if (this.patternAtoms[k].component == ia) this }}); Clazz.defineMethod (c$, "setSelected", function (bs) { +this.selectedAtomCount = (bs == null ? this.targetAtomCount : bs.cardinality ()); if (bs == null) { bs = JU.BS.newN (this.targetAtomCount); bs.setBits (0, this.targetAtomCount); @@ -218,8 +224,8 @@ return n; Clazz.defineMethod (c$, "setRingData", function (bsA, vRings, doProcessAromatic) { if (this.isTopology || this.patternBioSequence) this.needAromatic = false; -if (this.needAromatic) this.needRingData = true; this.needAromatic = new Boolean (this.needAromatic & ( new Boolean ((bsA == null) & !this.noAromatic).valueOf ())).valueOf (); +if (this.needAromatic) this.needRingData = true; if (!this.needAromatic) { this.bsAromatic.clearAll (); if (bsA != null) this.bsAromatic.or (bsA); @@ -249,7 +255,7 @@ this.ringCounts = Clazz.newIntArray (this.targetAtomCount, 0); this.ringConnections = Clazz.newIntArray (this.targetAtomCount, 0); this.ringData = new Array (this.ringDataMax + 1); }this.ringSets = new JU.Lst (); -if (this.targetAtomCount < 3) return; +if (this.selectedAtomCount < 3) return; var s = "****"; var max = this.ringDataMax; while (s.length < max) s += s; @@ -309,6 +315,7 @@ search.mapUnique = this.mapUnique; search.targetAtoms = this.targetAtoms; search.targetAtomCount = this.targetAtomCount; search.bsSelected = this.bsSelected; +search.selectedAtomCount = this.selectedAtomCount; search.htNested = this.htNested; search.haveTopo = this.haveTopo; search.bsCheck = this.bsCheck; @@ -349,12 +356,8 @@ return this.search2 (false); Clazz.defineMethod (c$, "search2", function (firstAtomOnly) { this.setFlags (this.flags); -if (!this.isRingCheck && JU.Logger.debugging && !this.isSilent) JU.Logger.debug ("SmilesSearch processing " + this.pattern); +if (!this.isRingCheck && JU.Logger.debuggingHigh && !this.isSilent) JU.Logger.debug ("SmilesSearch processing " + this.pattern); if (this.vReturn == null && (this.asVector || this.getMaps)) this.vReturn = new JU.Lst (); -if (this.bsSelected == null) { -this.bsSelected = JU.BS.newN (this.targetAtomCount); -this.bsSelected.setBits (0, this.targetAtomCount); -}this.selectedAtomCount = this.bsSelected.cardinality (); if (this.subSearches != null) { for (var i = 0; i < this.subSearches.length; i++) { if (this.subSearches[i] == null) continue; @@ -362,7 +365,7 @@ this.subsearch (this.subSearches[i], 3); if (this.exitFirstMatch) { if (this.vReturn == null ? this.bsReturn.nextSetBit (0) >= 0 : this.vReturn.size () > 0) break; }} -} else if (this.ac > 0) { +} else if (this.ac > 0 && this.ac <= this.selectedAtomCount) { if (this.nestedBond == null) { this.clearBsFound (-1); } else { @@ -388,6 +391,8 @@ var ii = a.getOffsetResidueAtom ("\0", 1); if (ii >= 0) bs.set (ii); ii = a.getOffsetResidueAtom ("\0", -1); if (ii >= 0) bs.set (ii); +} else if (pa === this.polyAtom) { +bs.set (pa.getMatchingAtomIndex ()); } else { jmolBonds = a.getEdges (); for (var k = 0; k < jmolBonds.length; k++) bs.set (jmolBonds[k].getOtherNode (a).getIndex ()); @@ -442,8 +447,13 @@ if (this.doCheckAtom (ia) && !this.nextTargetAtom (newPatternAtom, this.targetAt } this.clearBsFound (iAtom); return true; -}if (!this.ignoreStereochemistry && !this.isRingCheck && !this.checkStereochemistry ()) return true; -var bs = new JU.BS (); +}if (!this.ignoreStereochemistry && !this.isRingCheck) { +if (JU.Logger.debuggingHigh) { +for (var i = 0; i < atomNum; i++) JU.Logger.debug ("pattern atoms " + this.patternAtoms[i] + " " + this.patternAtoms[i].matchingComponent); + +JU.Logger.debug ("--ss-- " + this.bsFound.cardinality ()); +}if (!this.checkStereochemistry ()) return true; +}var bs = new JU.BS (); var nMatch = 0; for (var j = 0; j < this.ac; j++) { var i = this.patternAtoms[j].getMatchingAtomIndex (); @@ -538,11 +548,7 @@ if (!this.checkMatchBond (patternAtom, atom1, patternBond, iAtom, matchingAtom, patternAtom = this.patternAtoms[patternAtom.index]; patternAtom.setMatchingAtom (this.targetAtoms[iAtom], iAtom); patternAtom.matchingComponent = c; -if (JU.Logger.debuggingHigh && !this.isRingCheck) { -for (var i = 0; i <= atomNum; i++) JU.Logger.debug ("pattern atoms " + this.patternAtoms[i] + " " + this.patternAtoms[i].matchingComponent); - -JU.Logger.debug ("--ss--"); -}this.bsFound.set (iAtom); +this.bsFound.set (iAtom); if (!this.nextPatternAtom (atomNum, iAtom, firstAtomOnly, c)) return false; if (iAtom >= 0) this.clearBsFound (iAtom); return true; @@ -568,7 +574,7 @@ if (!patternAtom.isBioAtom) this.setNested (patternAtom.iNested, o); break; }var na = targetAtom.getElementNumber (); var n = patternAtom.elementNumber; -if (na >= 0 && n >= 0 && n != na) break; +if (na >= 0 && n >= 0 && n != na && !this.ignoreElement) break; if (patternAtom.isBioResidue) { var a = targetAtom; if (patternAtom.bioAtomName != null && (patternAtom.isLeadAtom () ? !a.isLeadAtom () : !patternAtom.bioAtomName.equals (a.getAtomName ().toUpperCase ()))) break; @@ -629,7 +635,7 @@ if (n >= 0 && n != targetAtom.getTotalHydrogenCount ()) break; if ((n = patternAtom.implicitHydrogenCount) != -2147483648) { na = targetAtom.getImplicitHydrogenCount (); if (n == -1 ? na == 0 : n != na) break; -}if (patternAtom.degree > 0 && patternAtom.degree != targetAtom.getCovalentBondCount () - targetAtom.getImplicitHydrogenCount ()) break; +}if (patternAtom.degree > 0 && patternAtom.degree != targetAtom.getCovalentBondCount ()) break; if (patternAtom.nonhydrogenDegree > 0 && patternAtom.nonhydrogenDegree != targetAtom.getCovalentBondCount () - targetAtom.getCovalentHydrogenCount ()) break; if (this.isSmarts && patternAtom.valence > 0 && patternAtom.valence != targetAtom.getTotalValence ()) break; if (patternAtom.connectivity > 0 && patternAtom.connectivity != targetAtom.getCovalentBondCountPlusMissingH ()) break; @@ -858,7 +864,7 @@ if (dbAtom1a == null || dbAtom2a == null) return false; if (this.haveTopo) this.setTopoCoordinates (dbAtom1, dbAtom2, dbAtom1a, dbAtom2a, bondType); var d = JS.SmilesMeasure.setTorsionData (dbAtom1a, dbAtom1, dbAtom2, dbAtom2a, this.v, isAtropisomer); if (isAtropisomer) { -d *= dir1 * (bondType == 65537 ? 1 : -1) * (indexOrder ? 1 : -1); +d *= dir1 * (bondType == 65537 ? 1 : -1) * (indexOrder ? 1 : -1) * 1 * -1; if (JU.Logger.debugging) JU.Logger.info ("atrop dihedral " + d + " " + sAtom1 + " " + sAtom2 + " " + b); if (d < 1.0) return false; } else { @@ -866,29 +872,46 @@ if (this.v.vTemp1.dot (this.v.vTemp2) * dir1 * dir2 < 0) return false; }} if (this.setAtropicity) { this.atropKeys = ""; -for (var i = 0; i < lstAtrop.size (); i++) this.atropKeys += "," + this.getAtropIndex ((b = lstAtrop.get (i)), true) + this.getAtropIndex (b, false); +for (var i = 0; i < lstAtrop.size (); i++) this.atropKeys += "," + this.getAtropIndex (lstAtrop.get (i)); }return true; }); Clazz.defineMethod (c$, "getAtropIndex", - function (b, isFirst) { -var s1 = (isFirst ? b.atom1 : b.atom2); -var a1 = s1.getMatchingAtom (); -var a11 = JU.Edge.getAtropismNode (b.matchingBond.order, a1, isFirst); -var b1 = s1.bonds; -for (var i = s1.getBondCount (); --i >= 0; ) if ((b1[i].getOtherNode (s1)).getMatchingAtom () === a11) return i + 1; - -return 0; -}, "JS.SmilesBond,~B"); + function (b) { +var nodes = new Array (4); +var s = ""; +nodes[1] = b.atom1.getMatchingAtom (); +nodes[2] = b.atom2.getMatchingAtom (); +var b1 = b.atom1.bonds; +var a; +for (var i = b.atom1.getBondCount (); --i >= 0; ) { +if ((a = b1[i].getOtherNode (b.atom1)) !== b.atom2) { +s += (i + 1); +nodes[0] = a.getMatchingAtom (); +break; +}} +b1 = b.atom2.bonds; +for (var i = 0; i <= b.atom2.getBondCount (); i++) { +if ((a = b1[i].getOtherNode (b.atom2)) !== b.atom1) { +s += (i + 1); +nodes[3] = a.getMatchingAtom (); +break; +}} +if (s.equals ("22")) s = ""; +s = (JS.SmilesStereo.getAtropicStereoFlag (nodes) == 1 ? "" : "^") + s; +return (s + " ").substring (0, 3); +}, "JS.SmilesBond"); Clazz.defineMethod (c$, "setTopoCoordinates", function (dbAtom1, dbAtom2, dbAtom1a, dbAtom2a, bondType) { dbAtom1.set (-1, 0, 0); dbAtom2.set (1, 0, 0); if (bondType != 2) { var bond = dbAtom1.getBondTo (dbAtom2); -var dir = (bond.order == 65537 ? 1 : -1); +var ok1 = dbAtom1.getBondedAtomIndex (bond.atropType[0]) == dbAtom1a.index; +var ok2 = dbAtom2.getBondedAtomIndex (bond.atropType[1]) == dbAtom2a.index; +var dir = (bond.order == 65537 ? 1 : -1) * (ok1 == ok2 ? 1 : -1); dbAtom1a.set (-1, 1, 0); -dbAtom2a.set (1, 1, dir / 2.0); +dbAtom2a.set (1, 1, dir / 2.0 * 1 * -1); return; }var nBonds = 0; var dir1 = 0; @@ -1002,6 +1025,8 @@ break; var atom2 = atoms[sBond.atom2.getMatchingAtomIndex ()]; var b = new JS.SmilesBond (atom1, atom2, order, false); b.isConnection = sBond.isConnection; +b.atropType = sBond.atropType; +b.isNot = sBond.isNot; atom2.bondCount--; if (JU.Logger.debugging) JU.Logger.info ("" + b); } else { @@ -1026,10 +1051,12 @@ var sAtom = this.patternAtoms[i]; if (sAtom.stereo != null) sAtom.stereo.fixStereo (sAtom); } }, "JU.BS"); -c$.normalizeAromaticity = Clazz.defineMethod (c$, "normalizeAromaticity", -function (atoms, bsAromatic, flags) { +Clazz.defineMethod (c$, "normalizeAromaticity", +function (bsAromatic) { +var atoms = this.patternAtoms; var ss = new JS.SmilesSearch (); -ss.setFlags (flags); +ss.noAromatic = this.noAromatic; +ss.setFlags (this.flags); ss.targetAtoms = atoms; ss.targetAtomCount = atoms.length; ss.bsSelected = JU.BSUtil.newBitSet2 (0, atoms.length); @@ -1046,7 +1073,7 @@ if (a.isAromatic || a.elementNumber == -2 || a.elementNumber == 0) continue; a.setSymbol (a.symbol.toLowerCase ()); } } -}}, "~A,JU.BS,~N"); +}}, "JU.BS"); Clazz.defineMethod (c$, "getSelections", function () { var ht = this.top.htNested; @@ -1079,5 +1106,6 @@ return sb.toString (); Clazz.defineStatics (c$, "SUBMODE_NESTED", 1, "SUBMODE_RINGCHECK", 2, -"SUBMODE_OR", 3); +"SUBMODE_OR", 3, +"ATROPIC_SWITCH", 1); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SmilesStereo.js b/qmpy/web/static/js/jsmol/j2s/JS/SmilesStereo.js index 4c3aa34f..adf1e1d5 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SmilesStereo.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SmilesStereo.js @@ -145,21 +145,26 @@ throw e; return true; }, "JS.SmilesAtom"); Clazz.defineMethod (c$, "setTopoCoordinates", -function (atom, sAtom, sAtom2, cAtoms) { -var chClass = atom.stereo.chiralClass; -var chiralOrder = atom.stereo.chiralOrder; -atom.set (0, 0, 0); +function (sAtom0, pAtom, sAtom2, cAtoms, isNot) { +var chiralOrder = (sAtom0.stereo == null ? 0 : sAtom0.stereo.chiralOrder); +var chClass = (sAtom0.stereo == null ? 1 : sAtom0.stereo.chiralClass); +sAtom0.set (0, 0, 0); var map; if (this.jmolAtoms == null) { map = Clazz.newIntArray (-1, [0, 1, 2, 3]); } else { -atom = this.jmolAtoms[sAtom.getMatchingAtomIndex ()]; -atom.set (0, 0, 0); +sAtom0 = this.jmolAtoms[pAtom.getMatchingAtomIndex ()]; +sAtom0.set (0, 0, 0); var a2 = (chClass == 2 ? this.jmolAtoms[sAtom2.getMatchingAtomIndex ()] : null); -map = this.getMappedTopoAtoms (atom, a2, cAtoms); +map = this.getMappedTopoAtoms (sAtom0, a2, cAtoms, chiralOrder == 0 ? Clazz.newIntArray (cAtoms.length, 0) : null); }var pt; switch (chClass) { case 1: +sAtom0.set (0, 0, 0.2); +var a = 6.283185307179586 / cAtoms.length; +for (var i = cAtoms.length; --i >= 0; ) { +cAtoms[map[i]].set ((Math.cos (i * a)), Math.sin (i * a), isNot ? 1 : -1); +} break; case 2: case 4: @@ -241,10 +246,10 @@ default: return false; } return true; -}, "JS.SmilesAtom,JS.SmilesAtom,JS.SmilesAtom,~A"); +}, "JS.SmilesAtom,JS.SmilesAtom,JS.SmilesAtom,~A,~B"); Clazz.defineMethod (c$, "getMappedTopoAtoms", - function (atom, a2, cAtoms) { -var map = Clazz.newIntArray (cAtoms[4] == null ? 4 : cAtoms[5] == null ? 5 : 6, 0); + function (atom, a2, cAtoms, map) { +if (map == null) map = Clazz.newIntArray (cAtoms[4] == null ? 4 : cAtoms[5] == null ? 5 : 6, 0); for (var i = 0; i < map.length; i++) { map[i] = (cAtoms[i] == null ? 10004 + i * 10000 : cAtoms[i].getIndex ()); } @@ -259,7 +264,7 @@ for (var i = 0; i < map.length; i++) { map[i] = map[i] % 10; } return map; -}, "JS.SmilesAtom,JS.SmilesAtom,~A"); +}, "JS.SmilesAtom,JS.SmilesAtom,~A,~A"); c$.getTopoMapPt = Clazz.defineMethod (c$, "getTopoMapPt", function (map, i, atom, cAtom, bonds, n000) { if (cAtom.index == -2147483648) { @@ -278,18 +283,20 @@ Clazz.defineMethod (c$, "getJmolAtom", function (i) { return (i < 0 || i >= this.jmolAtoms.length ? null : this.jmolAtoms[i]); }, "~N"); -Clazz.defineMethod (c$, "sortBondsByStereo", -function (atom, atomPrev, ref, bonds, vTemp) { +Clazz.defineMethod (c$, "sortPolyBondsByStereo", +function (atom, ref, center, bonds, vTemp) { if (bonds.length < 2 || !(Clazz.instanceOf (atom, JU.T3))) return; -if (atomPrev == null) atomPrev = bonds[0].getOtherNode (atom); +var checkAlign = (ref != null); +ref = bonds[0].getOtherNode (atom); var aTemp = Clazz.newArray (bonds.length, 0, null); if (this.sorter == null) this.sorter = new JS.PolyhedronStereoSorter (); -vTemp.sub2 (atomPrev, ref); +vTemp.sub2 (ref, center); this.sorter.setRef (vTemp); -for (var i = bonds.length; --i >= 0; ) { +var nb = bonds.length; +var f0 = 0; +for (var i = nb; --i >= 0; ) { var a = bonds[i].getOtherNode (atom); -var f = (a === atomPrev ? 0 : this.sorter.isAligned (a, ref, atomPrev) ? -999 : JU.Measure.computeTorsion (atom, atomPrev, ref, a, true)); -if (bonds.length > 2) f += 360; +var f = f0 + (a === ref ? 0 : checkAlign && this.sorter.isAligned (a, center, ref) ? -999 : JU.Measure.computeTorsion (ref, atom, center, a, true)); aTemp[i] = Clazz.newArray (-1, [bonds[i], Float.$valueOf (f), a]); } java.util.Arrays.sort (aTemp, this.sorter); @@ -307,10 +314,9 @@ var invertStereochemistry = search.invertStereochemistry; if (JU.Logger.debugging) JU.Logger.debug ("checking stereochemistry..."); for (var i = 0; i < search.ac; i++) { var pAtom = search.patternAtoms[i]; -if (pAtom.stereo == null) continue; +if (pAtom.stereo == null && search.polyhedronStereo == null) continue; var isNot = (pAtom.not != invertStereochemistry); -var atom0 = pAtom.getMatchingAtom (); -switch (this.checkStereoForAtom (pAtom, atom0, isNot, haveTopo)) { +switch (this.checkStereoForAtom (pAtom, isNot, haveTopo)) { case 0: continue; case 1: @@ -322,7 +328,7 @@ return false; return true; }, "JS.SmilesSearch,JS.VTemp"); Clazz.defineMethod (c$, "checkStereoForAtom", -function (pAtom, atom0, isNot, haveTopo) { +function (pAtom, isNot, haveTopo) { var atom1 = null; var atom2 = null; var atom3 = null; @@ -332,16 +338,25 @@ var atom6 = null; var pAtom2 = null; var sAtom0 = null; var jn; +var atom0 = pAtom.getMatchingAtom (); if (haveTopo) sAtom0 = atom0; var nH = Math.max (pAtom.explicitHydrogenCount, 0); -var order = pAtom.stereo.chiralOrder; -var chiralClass = pAtom.stereo.chiralClass; -if (haveTopo && sAtom0.getChiralClass () != chiralClass) return -1; +var order = (pAtom.stereo == null ? 0 : pAtom.stereo.chiralOrder); +var chiralClass = (pAtom.stereo == null ? 1 : pAtom.stereo.chiralClass); +if (haveTopo && this.chiralOrder != 0 && sAtom0.getChiralClass () != chiralClass) return -1; if (JU.Logger.debugging) JU.Logger.debug ("...type " + chiralClass + " for pattern atom \n " + pAtom + "\n " + atom0); switch (chiralClass) { case 1: +if (pAtom.bondCount == 0) { +this.search.polyhedronStereo = pAtom.stereo; +return 0; +}if (this.chiralOrder == 0) { +var atoms12N = new Array (pAtom.bondCount); +for (var i = 0; i < atoms12N.length; i++) atoms12N[i] = this.getJmolAtom (pAtom.getMatchingBondedAtom (i)); + +return (haveTopo && !this.setTopoCoordinates (sAtom0, pAtom, null, atoms12N, this.search.polyhedronStereo.isNot ? !isNot : isNot) || !this.checkPolyHedralWinding (pAtom.getMatchingAtom (), atoms12N) ? -1 : 0); +}if (nH > 1) return 0; if (pAtom.stereo.isNot) isNot = !isNot; -if (nH > 1 || pAtom.bondCount == 0) return 0; if (haveTopo) { return 0; }var bonds = pAtom.bonds; @@ -387,7 +402,7 @@ return 0; case 2: jn = this.getAlleneAtoms (pAtom, null); if (jn == null) return 0; -if (haveTopo && !this.setTopoCoordinates (sAtom0, pAtom, pAtom2, jn)) return -1; +if (haveTopo && !this.setTopoCoordinates (sAtom0, pAtom, pAtom2, jn, false)) return -1; if (!JS.SmilesStereo.checkStereochemistryAll (isNot, atom0, chiralClass, order, jn[0], jn[1], jn[2], jn[3], null, null, this.v)) return -1; return 0; case 8: @@ -416,12 +431,18 @@ atom3 = this.getJmolAtom (pAtom.getMatchingBondedAtom (2 - nH)); atom4 = this.getJmolAtom (pAtom.getMatchingBondedAtom (3 - nH)); atom5 = this.getJmolAtom (pAtom.getMatchingBondedAtom (4 - nH)); atom6 = this.getJmolAtom (pAtom.getMatchingBondedAtom (5 - nH)); -if (haveTopo && !this.setTopoCoordinates (sAtom0, pAtom, null, Clazz.newArray (-1, [atom1, atom2, atom3, atom4, atom5, atom6]))) return -1; +if (haveTopo && !this.setTopoCoordinates (sAtom0, pAtom, null, Clazz.newArray (-1, [atom1, atom2, atom3, atom4, atom5, atom6]), false)) return -1; if (!JS.SmilesStereo.checkStereochemistryAll (isNot, atom0, chiralClass, order, atom1, atom2, atom3, atom4, atom5, atom6, this.v)) return -1; return 0; } return 0; -}, "JS.SmilesAtom,JU.Node,~B,~B"); +}, "JS.SmilesAtom,~B,~B"); +Clazz.defineMethod (c$, "checkPolyHedralWinding", + function (a0, a) { +for (var i = 0; i < a.length - 2; i++) if (JS.SmilesStereo.getHandedness (a[i], a[i + 1], a[i + 2], a0, this.v) != 1) return false; + +return true; +}, "JU.Node,~A"); Clazz.defineMethod (c$, "getAlleneAtoms", function (pAtom, pAtom1) { if (pAtom1 == null) pAtom1 = pAtom.getBond (0).getOtherAtom (pAtom); @@ -493,7 +514,7 @@ v.scaleAdd2 (2, pAtom.getMatchingAtom (), v); (jn[k]).setT (v); }, "JS.SmilesAtom,~A,~N"); c$.getStereoFlag = Clazz.defineMethod (c$, "getStereoFlag", -function (atom0, atoms, nAtoms, v) { +function (atom0, atoms, nAtoms, v, is2D) { var atom1 = atoms[0]; var atom2 = atoms[1]; var atom3 = atoms[2]; @@ -511,6 +532,7 @@ case 4: if (atom3 == null || atom4 == null) return ""; var d = JU.Measure.getNormalThroughPoints (atom1, atom2, atom3, v.vTemp, v.vA); if (Math.abs (JU.Measure.distanceToPlaneV (v.vTemp, d, atom4)) < 0.2) { +if (is2D) return ""; chiralClass = 7; if (JS.SmilesStereo.checkStereochemistryAll (false, atom0, chiralClass, 1, atom1, atom2, atom3, atom4, atom5, atom6, v)) return "@SP1"; if (JS.SmilesStereo.checkStereochemistryAll (false, atom0, chiralClass, 2, atom1, atom2, atom3, atom4, atom5, atom6, v)) return "@SP2"; @@ -519,7 +541,7 @@ if (JS.SmilesStereo.checkStereochemistryAll (false, atom0, chiralClass, 3, atom1 return (JS.SmilesStereo.checkStereochemistryAll (false, atom0, chiralClass, 1, atom1, atom2, atom3, atom4, atom5, atom6, v) ? "@" : "@@"); }} return ""; -}, "JU.SimpleNode,~A,~N,JS.VTemp"); +}, "JU.SimpleNode,~A,~N,JS.VTemp,~B"); c$.checkStereochemistryAll = Clazz.defineMethod (c$, "checkStereochemistryAll", function (isNot, atom0, chiralClass, order, atom1, atom2, atom3, atom4, atom5, atom6, v) { switch (chiralClass) { @@ -627,6 +649,9 @@ atomCount = n; if (pt < len && pattern.charAt (pt) == '(') { details = JS.SmilesParser.getSubPattern (pattern, pt, '('); pt += details.length + 2; +} else if (pt < len && pattern.charAt (pt) == '@') { +details = "@"; +pt++; }if (pt < len && pattern.charAt (pt) == '/') { directives = JS.SmilesParser.getSubPattern (pattern, pt, '/'); pt += directives.length + 2; @@ -642,7 +667,10 @@ throw e; index = pt; }}if (order < 1 || stereoClass < 0) throw new JS.InvalidSmilesException ("Invalid stereochemistry descriptor"); }newAtom.stereo = new JS.SmilesStereo (stereoClass, order, atomCount, details, directives); -newAtom.stereo.search = search; +if (stereoClass == 1) { +search.polyAtom = newAtom; +search.noAromatic = true; +}newAtom.stereo.search = search; if (JS.SmilesParser.getChar (pattern, index) == '?') { JU.Logger.info ("Ignoring '?' in stereochemistry"); index++; @@ -652,7 +680,11 @@ Clazz.defineMethod (c$, "getPolyhedralOrders", function () { var po = this.polyhedralOrders = JU.AU.newInt2 (this.atomCount); if (this.details == null) return; -var temp = Clazz.newIntArray (this.details.length, 0); +if (this.details.length > 0 && this.details.charAt (0) == '@') this.details = "!" + this.details.substring (1); +if (this.details.length == 0 || this.details.equals ("!")) { +for (var i = 2; i <= this.atomCount; i++) this.details += (i < 10 ? i : "%" + i); + +}var temp = Clazz.newIntArray (this.details.length, 0); var ret = Clazz.newIntArray (1, 0); var msg = null; var pt = 0; @@ -693,7 +725,12 @@ if (msg != null) { msg += ": " + s.substring (0, index) + "<<"; throw new JS.InvalidSmilesException (msg); }} while (index < len); +return; }); +c$.getAtropicStereoFlag = Clazz.defineMethod (c$, "getAtropicStereoFlag", +function (nodes) { +return (JU.Measure.computeTorsion (nodes[0], nodes[1], nodes[2], nodes[3], true) < 0 ? 1 : -1); +}, "~A"); Clazz.defineStatics (c$, "DEFAULT", 0, "POLYHEDRAL", 1, diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SpaceGroup.js b/qmpy/web/static/js/jsmol/j2s/JS/SpaceGroup.js index 56c2f8ed..f9279ef1 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SpaceGroup.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SpaceGroup.js @@ -31,7 +31,6 @@ this.isBio = false; this.isBilbao = false; this.latticeType = "P"; this.nHallOperators = null; -this.info = null; Clazz.instantialize (this, arguments); }, JS, "SpaceGroup"); c$.getNull = Clazz.defineMethod (c$, "getNull", @@ -164,6 +163,7 @@ return sg.dumpInfoObj (); }var sb = new JU.SB (); while (sg != null) { sb.append (sg.dumpInfo ()); +if (sg.index >= JS.SpaceGroup.SG.length) break; sg = JS.SpaceGroup.determineSpaceGroupNS (spaceGroup, sg); } return sb.toString (); @@ -348,7 +348,7 @@ this.xyzList.put (xxx + "!", Integer.$valueOf (this.operationCount)); if (this.operations == null) this.operations = new Array (4); if (this.operationCount == this.operations.length) this.operations = JU.AU.arrayCopyObject (this.operations, this.operationCount * 2); this.operations[this.operationCount++] = op; -op.index = this.operationCount; +op.number = this.operationCount; if (op.timeReversal != 0) this.operations[0].timeReversal = 1; if (JU.Logger.debugging) JU.Logger.debug ("\naddOperation " + this.operationCount + op.dumpInfo ()); return this.operationCount - 1; @@ -604,6 +604,7 @@ for (var i = 0; i < nOps; i++) { var newOp = new JS.SymmetryOperation (null, null, 0, 0, true); newOp.modDim = this.modDim; var op = this.operations[i]; +newOp.divisor = op.divisor; newOp.linearRotTrans = JU.AU.arrayCopyF (op.linearRotTrans, -1); newOp.setFromMatrix (data, false); if (magRev != -2) newOp.setTimeReversal (op.timeReversal * magRev); @@ -637,6 +638,13 @@ this.name = name; if (name != null && name.startsWith ("HM:")) { this.setHMSymbol (name.substring (3)); }}, "~S"); +Clazz.defineMethod (c$, "getRawOperation", +function (i) { +var op = new JS.SymmetryOperation (null, null, 0, 0, false); +op.setMatrixFromXYZ (this.operations[i].xyzOriginal, 0, false); +op.doFinalize (); +return op; +}, "~N"); Clazz.defineStatics (c$, "canonicalSeitzList", null, "NAME_UNK", 0, diff --git a/qmpy/web/static/js/jsmol/j2s/JS/Symmetry.js b/qmpy/web/static/js/jsmol/j2s/JS/Symmetry.js index 58db293c..77fed9ec 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/Symmetry.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/Symmetry.js @@ -87,6 +87,10 @@ Clazz.overrideMethod (c$, "getSpaceGroupOperation", function (i) { return (this.spaceGroup == null || this.spaceGroup.operations == null || i >= this.spaceGroup.operations.length ? null : this.spaceGroup.finalOperations == null ? this.spaceGroup.operations[i] : this.spaceGroup.finalOperations[i]); }, "~N"); +Clazz.overrideMethod (c$, "getSpaceGroupOperationRaw", +function (i) { +return this.spaceGroup.getRawOperation (i); +}, "~N"); Clazz.overrideMethod (c$, "getSpaceGroupXyz", function (i, doNormalize) { return this.spaceGroup.getXyz (i, doNormalize); @@ -389,9 +393,9 @@ Clazz.defineMethod (c$, "getDesc", return (this.desc == null ? (this.desc = (J.api.Interface.getInterface ("JS.SymmetryDesc", modelSet.vwr, "eval"))) : this.desc).set (modelSet); }, "JM.ModelSet"); Clazz.overrideMethod (c$, "getSymmetryInfoAtom", -function (modelSet, iatom, xyz, op, pt, pt2, id, type, scaleFactor, nth, options) { -return this.getDesc (modelSet).getSymopInfo (iatom, xyz, op, pt, pt2, id, type, scaleFactor, nth, options); -}, "JM.ModelSet,~N,~S,~N,JU.P3,JU.P3,~S,~N,~N,~N,~N"); +function (modelSet, iatom, xyz, op, translation, pt, pt2, id, type, scaleFactor, nth, options) { +return this.getDesc (modelSet).getSymopInfo (iatom, xyz, op, translation, pt, pt2, id, type, scaleFactor, nth, options); +}, "JM.ModelSet,~N,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N"); Clazz.overrideMethod (c$, "getSpaceGroupInfo", function (modelSet, sgName, modelIndex, isFull, cellParams) { var isForModel = (sgName == null); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SymmetryDesc.js b/qmpy/web/static/js/jsmol/j2s/JS/SymmetryDesc.js index 74aa0c9c..3501724c 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SymmetryDesc.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SymmetryDesc.js @@ -13,7 +13,7 @@ this.modelSet = modelSet; return this; }, "JM.ModelSet"); Clazz.defineMethod (c$, "getSymopInfo", -function (iAtom, xyz, op, pt, pt2, id, type, scaleFactor, nth, options) { +function (iAtom, xyz, op, translation, pt, pt2, id, type, scaleFactor, nth, options) { if (type == 0) type = JS.SymmetryDesc.getType (id); var ret = (type == 1140850689 ? new JU.BS () : ""); if (iAtom < 0) return ret; @@ -21,16 +21,16 @@ var iModel = this.modelSet.at[iAtom].mi; var uc = this.modelSet.am[iModel].biosymmetry; if (uc == null && (uc = this.modelSet.getUnitCell (iModel)) == null) return ret; if (type != 135176 || op != 2147483647) { -return this.getSymmetryInfo (uc, iModel, iAtom, uc, xyz, op, pt, pt2, id, type, scaleFactor, nth, options); +return this.getSymmetryInfo (uc, iModel, iAtom, uc, xyz, op, translation, pt, pt2, id, type, scaleFactor, nth, options); }var s = ""; var ops = uc.getSymmetryOperations (); if (ops != null) { if (id == null) id = "sg"; var n = ops.length; -for (op = 0; op < n; op++) s += this.getSymmetryInfo (uc, iModel, iAtom, uc, xyz, op, pt, pt2, id + op, 135176, scaleFactor, nth, options); +for (op = 0; op < n; op++) s += this.getSymmetryInfo (uc, iModel, iAtom, uc, xyz, op, translation, pt, pt2, id + op, 135176, scaleFactor, nth, options); }return s; -}, "~N,~S,~N,JU.P3,JU.P3,~S,~N,~N,~N,~N"); +}, "~N,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N"); Clazz.defineMethod (c$, "getSpaceGroupInfo", function (sym, modelIndex, sgName, symOp, pt1, pt2, drawID, scaleFactor, nth, isFull, isForModel, options, cellInfo) { var info = null; @@ -69,11 +69,13 @@ var op = ops[i]; var isNewIncomm = (i == 0 && op.xyz.indexOf ("x4") >= 0); var iop = (!isNewIncomm && sym.getSpaceGroupOperation (i) != null ? i : isBio ? sym.addBioMoleculeOperation (sg.finalOperations[i], false) : sym.addSpaceGroupOperation ("=" + op.xyz, i + 1)); if (iop < 0) continue; +var xyzOriginal = op.xyzOriginal; op = sym.getSpaceGroupOperation (i); if (op == null) continue; +op.xyzOriginal = xyzOriginal; if (op.timeReversal != 0 || op.modDim > 0) isStandard = false; if (slist != null) slist += ";" + op.xyz; -var ret = (symOp > 0 && symOp - 1 != iop ? null : this.createInfoArray (op, cellInfo, pt1, pt2, drawID, scaleFactor, options)); +var ret = (symOp > 0 && symOp - 1 != iop ? null : this.createInfoArray (op, cellInfo, pt1, pt2, drawID, scaleFactor, options, false)); if (ret != null) { if (nth > 0 && ++nop != nth) continue; infolist[i] = ret; @@ -112,9 +114,15 @@ if (id.equalsIgnoreCase ("time")) return 268435633; if (id.equalsIgnoreCase ("info")) return 1275068418; type = JS.T.getTokFromName (id); if (type != 0) return type; -for (type = 0; type < JS.SymmetryDesc.keys.length; type++) if (id.equalsIgnoreCase (JS.SymmetryDesc.keys[type])) return -1 - type; +type = JS.SymmetryDesc.getKeyType (id); +return (type < 0 ? type : 1073742327); +}, "~S"); +c$.getKeyType = Clazz.defineMethod (c$, "getKeyType", + function (id) { +if ("type".equals (id)) id = "_type"; +for (var type = 0; type < JS.SymmetryDesc.keys.length; type++) if (id.equalsIgnoreCase (JS.SymmetryDesc.keys[type])) return -1 - type; -return 1073741961; +return 0; }, "~S"); c$.nullReturn = Clazz.defineMethod (c$, "nullReturn", function (type) { @@ -123,7 +131,9 @@ case 135176: return "draw ID sym_* delete"; case 1073741961: case 1825200146: +case 1073741974: case 1145047050: +case 11: case 1073742078: return ""; case 1140850689: @@ -134,7 +144,8 @@ return null; }, "~N"); c$.getInfo = Clazz.defineMethod (c$, "getInfo", function (info, type) { -if (type < 0 && type >= -JS.SymmetryDesc.keys.length) return info[-1 - type]; +if (info.length == 0) return ""; +if (type < 0 && -type <= JS.SymmetryDesc.keys.length && -type <= info.length) return info[-1 - type]; switch (type) { case 1073742327: case 1073741982: @@ -186,7 +197,7 @@ return info[16]; } }, "~A,~N"); Clazz.defineMethod (c$, "createInfoArray", - function (op, uc, pta00, ptTarget, id, scaleFactor, options) { + function (op, uc, pta00, ptTarget, id, scaleFactor, options, haveTranslation) { if (!op.isFinalized) op.doFinalize (); var isTimeReversed = (op.timeReversal == -1); if (scaleFactor == 0) scaleFactor = 1; @@ -332,7 +343,7 @@ var type = info1; if (isInversionOnly) { ptemp.setT (ipt); uc.toFractional (ptemp, false); -info1 = "Ci: " + JS.SymmetryDesc.strCoord (ptemp, op.isBio); +info1 = "Ci: " + JS.SymmetryDesc.strCoord (op, ptemp, op.isBio); type = "inversion center"; } else if (isRotation) { if (haveInversion) { @@ -341,11 +352,11 @@ type = info1 = (Clazz.doubleToInt (360 / ang)) + "-bar axis"; type = info1 = (Clazz.doubleToInt (360 / ang)) + "-fold screw axis"; ptemp.setT (ax1); uc.toFractional (ptemp, false); -info1 += "|translation: " + JS.SymmetryDesc.strCoord (ptemp, op.isBio); +info1 += "|translation: " + JS.SymmetryDesc.strCoord (op, ptemp, op.isBio); } else { type = info1 = "C" + (Clazz.doubleToInt (360 / ang)) + " axis"; }} else if (trans != null) { -var s = " " + JS.SymmetryDesc.strCoord (ftrans, op.isBio); +var s = " " + JS.SymmetryDesc.strCoord (op, ftrans, op.isBio); if (isTranslation) { type = info1 = "translation"; info1 += ":" + s; @@ -353,7 +364,7 @@ info1 += ":" + s; var fx = Math.abs (JS.SymmetryOperation.approxF (ftrans.x)); var fy = Math.abs (JS.SymmetryOperation.approxF (ftrans.y)); var fz = Math.abs (JS.SymmetryOperation.approxF (ftrans.z)); -s = " " + JS.SymmetryDesc.strCoord (ftrans, op.isBio); +s = " " + JS.SymmetryDesc.strCoord (op, ftrans, op.isBio); if (fx != 0 && fy != 0 && fz != 0) { if (fx == 0.25 && fy == 0.25 && fz == 0.25) { info1 = "d-"; @@ -381,7 +392,7 @@ type = info1 = "mirror plane"; }if (haveInversion && !isInversionOnly) { ptemp.setT (ipt); uc.toFractional (ptemp, false); -info1 += "|inversion center at " + JS.SymmetryDesc.strCoord (ptemp, op.isBio); +info1 += "|inversion center at " + JS.SymmetryDesc.strCoord (op, ptemp, op.isBio); }if (isTimeReversed) { info1 += "|time-reversed"; type += " (time-reversed)"; @@ -494,7 +505,7 @@ draw1.append ("\nvar p0 = " + JU.Escape.eP (ptemp2)); draw1.append ("\nvar set2 = within(0.2,p0);if(!set2){set2 = within(0.2,p0.uxyz.xyz)}"); if (Clazz.instanceOf (pta00, JM.Atom)) draw1.append ("\n set2 &= {_" + (pta00).getElementSymbol () + "}"); draw1.append ("\nsym_target = set2;if (set2) {"); -if (options != 1073742066 && ptTarget == null) { +if (options != 1073742066 && ptTarget == null && !haveTranslation) { draw1.append (drawid).append ("offsetFrameX diameter 0.20 @{set2.xyz} @{set2.xyz + ").append (JU.Escape.eP (vt1)).append ("*0.9} color red"); draw1.append (drawid).append ("offsetFrameY diameter 0.20 @{set2.xyz} @{set2.xyz + ").append (JU.Escape.eP (vt2)).append ("*0.9} color green"); draw1.append (drawid).append ("offsetFrameZ diameter 0.20 @{set2.xyz} @{set2.xyz + ").append (JU.Escape.eP (vt3)).append ("*0.9} color purple"); @@ -532,8 +543,18 @@ m2.m13 += vtrans.y; m2.m23 += vtrans.z; }xyzNew = (op.isBio ? m2.toString () : op.modDim > 0 ? op.xyzOriginal : JS.SymmetryOperation.getXYZFromMatrix (m2, false, false, false)); if (op.timeReversal != 0) xyzNew = op.fixMagneticXYZ (m2, xyzNew, true); -return Clazz.newArray (-1, [xyzNew, op.xyzOriginal, info1, cmds, JS.SymmetryDesc.approx0 (ftrans), JS.SymmetryDesc.approx0 (trans), JS.SymmetryDesc.approx0 (ipt), JS.SymmetryDesc.approx0 (pa1), plane == null ? JS.SymmetryDesc.approx0 (ax1) : null, ang1 != 0 ? Integer.$valueOf (ang1) : null, m2, vtrans.lengthSquared () > 0 ? vtrans : null, op.getCentering (), Integer.$valueOf (op.timeReversal), plane, type, Integer.$valueOf (op.index)]); -}, "JS.SymmetryOperation,J.api.SymmetryInterface,JU.P3,JU.P3,~S,~N,~N"); +var f0 = JS.SymmetryDesc.approx0 (ftrans); +var cift = null; +var cifi = (op.number < 0 ? 0 : op.number); +if (!xyzNew.equals (op.xyzOriginal)) { +if (op.number > 0) { +var orig = JS.SymmetryOperation.getMatrixFromXYZ (op.xyzOriginal); +orig.sub (m2); +cift = new JU.P3 (); +orig.getTranslation (cift); +}}var cif2 = cifi + (cift == null ? " [0 0 0]" : " [" + Clazz.floatToInt (-cift.x) + " " + Clazz.floatToInt (-cift.y) + " " + Clazz.floatToInt (-cift.z) + "]"); +return Clazz.newArray (-1, [xyzNew, op.xyzOriginal, info1, cmds, f0, JS.SymmetryDesc.approx0 (trans), JS.SymmetryDesc.approx0 (ipt), JS.SymmetryDesc.approx0 (pa1), (plane == null ? JS.SymmetryDesc.approx0 (ax1) : null), (ang1 != 0 ? Integer.$valueOf (ang1) : null), m2, (vtrans.lengthSquared () > 0 ? vtrans : null), op.getCentering (), Integer.$valueOf (op.timeReversal), plane, type, Integer.$valueOf (op.number), cif2, op.xyzCanonical]); +}, "JS.SymmetryOperation,J.api.SymmetryInterface,JU.P3,JU.P3,~S,~N,~N,~B"); c$.drawLine = Clazz.defineMethod (c$, "drawLine", function (s, id, diameter, pt0, pt1, color) { s.append (id).append (" diameter ").appendF (diameter).append (JU.Escape.eP (pt0)).append (JU.Escape.eP (pt1)).append (" color ").append (color); @@ -564,10 +585,10 @@ uc.toCartesian (p0, false); return p0; }, "JS.SymmetryOperation,J.api.SymmetryInterface,JU.P3,JU.V3"); c$.strCoord = Clazz.defineMethod (c$, "strCoord", - function (p, isBio) { + function (op, p, isBio) { JS.SymmetryDesc.approx0 (p); -return (isBio ? p.x + " " + p.y + " " + p.z : JS.SymmetryOperation.fcoord (p)); -}, "JU.T3,~B"); +return (isBio ? p.x + " " + p.y + " " + p.z : op.fcoord2 (p)); +}, "JS.SymmetryOperation,JU.T3,~B"); c$.approx0 = Clazz.defineMethod (c$, "approx0", function (pt) { if (pt != null) { @@ -585,19 +606,40 @@ pt.z = JS.SymmetryOperation.approxF (pt.z); }return pt; }, "JU.T3"); Clazz.defineMethod (c$, "getSymmetryInfo", - function (sym, iModel, iatom, uc, xyz, op, pt, pt2, id, type, scaleFactor, nth, options) { -if (type == 1073741994) return uc.getLatticeType (); + function (sym, iModel, iatom, uc, xyz, op, translation, pt, pt2, id, type, scaleFactor, nth, options) { +var returnType = 0; var nullRet = JS.SymmetryDesc.nullReturn (type); +switch (type) { +case 1073741994: +return uc.getLatticeType (); +case 1275068418: +returnType = JS.SymmetryDesc.getType (id); +switch (returnType) { +case 1140850689: +case 135176: +case 1073741961: +case 1073742001: +case 134217751: +type = returnType; +break; +default: +returnType = JS.SymmetryDesc.getKeyType (id); +break; +} +break; +} var iop = op; var offset = (options == 1073742066 && (type == 1140850689 || type == 134217751) ? pt2 : null); if (offset != null) pt2 = null; var info = null; +var xyzOriginal = null; if (pt2 == null) { if (xyz == null) { var ops = uc.getSymmetryOperations (); if (ops == null || op == 0 || Math.abs (op) > ops.length) return nullRet; iop = Math.abs (op) - 1; -xyz = ops[iop].xyz; +xyz = (translation == null ? ops[iop].xyz : ops[iop].getxyzTrans (translation)); +xyzOriginal = ops[iop].xyzOriginal; } else { iop = op = 0; }var symTemp = new JS.Symmetry (); @@ -606,7 +648,8 @@ var isBio = uc.isBio (); var i = (isBio ? symTemp.addBioMoleculeOperation (uc.spaceGroup.finalOperations[iop], op < 0) : symTemp.addSpaceGroupOperation ((op < 0 ? "!" : "=") + xyz, Math.abs (op))); if (i < 0) return nullRet; var opTemp = symTemp.getSpaceGroupOperation (i); -opTemp.index = op - 1; +if (xyzOriginal != null) opTemp.xyzOriginal = xyzOriginal; +opTemp.number = op; if (!isBio) opTemp.getCentering (); if (pt == null && iatom >= 0) pt = this.modelSet.at[iatom]; if (type == 134217751 || type == 1140850689) { @@ -622,12 +665,15 @@ uc.unitize (sympt); if (options == 1073742066) sympt.add (offset); }symTemp.toCartesian (sympt, false); return (type == 1140850689 ? this.getAtom (uc, iModel, iatom, sympt) : sympt); -}info = this.createInfoArray (opTemp, uc, pt, null, (id == null ? "sym" : id), scaleFactor, options); -} else { +}info = this.createInfoArray (opTemp, uc, pt, null, (id == null ? "sym" : id), scaleFactor, options, (translation != null)); +if (type == 1275068418 && id != null) { +returnType = JS.SymmetryDesc.getKeyType (id); +}} else { var stype = "info"; var asString = false; switch (type) { case 1275068418: +returnType = JS.SymmetryDesc.getKeyType (id); id = stype = null; asString = false; if (nth == 0) nth = -1; @@ -647,7 +693,7 @@ id = stype = null; default: if (nth == 0) nth = 1; } -var ret1 = this.getSymopInfoForPoints (sym, iModel, op, pt, pt2, id, stype, scaleFactor, nth, asString, options); +var ret1 = this.getSymopInfoForPoints (sym, iModel, op, translation, pt, pt2, id, stype, scaleFactor, nth, asString, options); if (asString) return ret1; if (Clazz.instanceOf (ret1, String)) return nullRet; info = ret1; @@ -655,13 +701,18 @@ if (type == 1140850689) { if (!(Clazz.instanceOf (pt, JM.Atom)) && !(Clazz.instanceOf (pt2, JM.Atom))) iatom = -1; return (info == null ? nullRet : this.getAtom (uc, iModel, iatom, info[7])); }}if (info == null) return nullRet; -if (nth < 0 && op <= 0 && (type == 1275068418 || info.length > 0 && Clazz.instanceOf (info[0], Array))) { +var isList = (info.length > 0 && Clazz.instanceOf (info[0], Array)); +if (nth < 0 && op <= 0 && (type == 1275068418 || isList)) { +if (type == 1275068418 && info.length > 0 && !(Clazz.instanceOf (info[0], Array))) info = Clazz.newArray (-1, [info]); var lst = new JU.Lst (); -for (var i = 0; i < info.length; i++) lst.addLast (JS.SymmetryDesc.getInfo (info[i], type)); +for (var i = 0; i < info.length; i++) lst.addLast (JS.SymmetryDesc.getInfo (info[i], returnType < 0 ? returnType : type)); return lst; -}return JS.SymmetryDesc.getInfo (info, type); -}, "JS.Symmetry,~N,~N,JS.Symmetry,~S,~N,JU.P3,JU.P3,~S,~N,~N,~N,~N"); +} else if (returnType < 0 && (nth >= 0 || op > 0)) { +type = returnType; +}if (nth > 0 && isList) info = (info)[0]; +return JS.SymmetryDesc.getInfo (info, type); +}, "JS.Symmetry,~N,~N,JS.Symmetry,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N"); Clazz.defineMethod (c$, "getAtom", function (uc, iModel, iAtom, sympt) { var bsElement = null; @@ -678,7 +729,7 @@ if (bsElement != null) bsResult.and (bsElement); }return bsResult; }, "JS.Symmetry,~N,~N,JU.T3"); Clazz.defineMethod (c$, "getSymopInfoForPoints", - function (sym, modelIndex, symOp, pt1, pt2, drawID, stype, scaleFactor, nth, asString, options) { + function (sym, modelIndex, symOp, translation, pt1, pt2, drawID, stype, scaleFactor, nth, asString, options) { var ret = (asString ? "" : null); var sginfo = this.getSpaceGroupInfo (sym, modelIndex, null, symOp, pt1, pt2, drawID, scaleFactor, nth, false, true, options, null); if (sginfo == null) return ret; @@ -710,9 +761,9 @@ for (var i = 0; i < n; i++) a[i] = infolist[i]; return a; }if (sb.length () == 0) return (drawID != null ? "draw " + drawID + "* delete" : ret); return sb.toString (); -}, "JS.Symmetry,~N,~N,JU.P3,JU.P3,~S,~S,~N,~N,~B,~N"); +}, "JS.Symmetry,~N,~N,JU.P3,JU.P3,JU.P3,~S,~S,~N,~N,~B,~N"); Clazz.defineStatics (c$, -"keys", Clazz.newArray (-1, ["xyz", "xyzOriginal", "label", null, "fractionalTranslation", "cartesianTranslation", "inversionCenter", null, "axisVector", "rotationAngle", "matrix", "unitTranslation", "centeringVector", "timeReversal", "plane", "_type", "id"]), +"keys", Clazz.newArray (-1, ["xyz", "xyzOriginal", "label", null, "fractionalTranslation", "cartesianTranslation", "inversionCenter", null, "axisVector", "rotationAngle", "matrix", "unitTranslation", "centeringVector", "timeReversal", "plane", "_type", "id", "cif2", "xyzCanonical"]), "KEY_DRAW", 3, "KEY_POINT", 7); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/SymmetryOperation.js b/qmpy/web/static/js/jsmol/j2s/JS/SymmetryOperation.js index e7fa500f..7dbd641f 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/SymmetryOperation.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/SymmetryOperation.js @@ -1,7 +1,8 @@ Clazz.declarePackage ("JS"); -Clazz.load (["JU.M4"], "JS.SymmetryOperation", ["java.lang.Boolean", "$.Float", "java.util.Hashtable", "JU.Matrix", "$.P3", "$.PT", "$.SB", "$.V3", "JU.Logger", "$.Parser"], function () { +Clazz.load (["JU.M4"], "JS.SymmetryOperation", ["java.lang.Boolean", "$.Character", "$.Float", "java.util.Hashtable", "JU.Matrix", "$.P3", "$.PT", "$.SB", "$.V3", "JU.Logger", "$.Parser"], function () { c$ = Clazz.decorateAsClass (function () { this.xyzOriginal = null; +this.xyzCanonical = null; this.xyz = null; this.doNormalize = true; this.isFinalized = false; @@ -13,12 +14,13 @@ this.linearRotTrans = null; this.rsvs = null; this.isBio = false; this.sigma = null; -this.index = 0; +this.number = 0; this.subsystemCode = null; this.timeReversal = 0; this.unCentered = false; this.isCenteringOp = false; this.magOp = 3.4028235E38; +this.divisor = 12; this.info = null; Clazz.instantialize (this, arguments); }, JS, "SymmetryOperation", JU.M4); @@ -27,18 +29,20 @@ function (subsystemCode, sigma) { this.subsystemCode = subsystemCode; this.sigma = sigma; }, "~S,JU.Matrix"); -Clazz.overrideConstructor (c$, +Clazz.makeConstructor (c$, function (op, atoms, atomIndex, countOrId, doNormalize) { +Clazz.superConstructor (this, JS.SymmetryOperation, []); this.doNormalize = doNormalize; if (op == null) { this.opId = countOrId; return; }this.xyzOriginal = op.xyzOriginal; this.xyz = op.xyz; +this.divisor = op.divisor; this.opId = op.opId; this.modDim = op.modDim; this.myLabels = op.myLabels; -this.index = op.index; +this.number = op.number; this.linearRotTrans = op.linearRotTrans; this.sigma = op.sigma; this.subsystemCode = op.subsystemCode; @@ -70,24 +74,46 @@ this.setElement (3, 3, 1); }, "~B"); Clazz.defineMethod (c$, "doFinalize", function () { -JS.SymmetryOperation.div12 (this); +JS.SymmetryOperation.div12 (this, this.divisor); if (this.modDim > 0) { var a = this.rsvs.getArray (); -for (var i = a.length - 1; --i >= 0; ) a[i][3 + this.modDim] /= 12; +for (var i = a.length - 1; --i >= 0; ) a[i][3 + this.modDim] = JS.SymmetryOperation.finalizeD (a[i][3 + this.modDim], this.divisor); }this.isFinalized = true; }); c$.div12 = Clazz.defineMethod (c$, "div12", - function (op) { -op.m03 /= 12; -op.m13 /= 12; -op.m23 /= 12; + function (op, divisor) { +op.m03 = JS.SymmetryOperation.finalizeF (op.m03, divisor); +op.m13 = JS.SymmetryOperation.finalizeF (op.m13, divisor); +op.m23 = JS.SymmetryOperation.finalizeF (op.m23, divisor); return op; -}, "JU.M4"); +}, "JU.M4,~N"); +c$.finalizeF = Clazz.defineMethod (c$, "finalizeF", + function (m, divisor) { +if (divisor == 0) { +if (m == 0) return 0; +var n = Clazz.floatToInt (m); +return ((n >> 8) * 1 / (n & 255)); +}return m / divisor; +}, "~N,~N"); +c$.finalizeD = Clazz.defineMethod (c$, "finalizeD", + function (m, divisor) { +if (divisor == 0) { +if (m == 0) return 0; +var n = Clazz.doubleToInt (m); +return ((n >> 8) * 1 / (n & 255)); +}return m / divisor; +}, "~N,~N"); Clazz.defineMethod (c$, "getXyz", function (normalized) { return (normalized && this.modDim == 0 || this.xyzOriginal == null ? this.xyz : this.xyzOriginal); }, "~B"); +Clazz.defineMethod (c$, "getxyzTrans", +function (t) { +var m = JU.M4.newM4 (this); +m.add (t); +return JS.SymmetryOperation.getXYZFromMatrix (m, false, false, false); +}, "JU.P3"); c$.newPoint = Clazz.defineMethod (c$, "newPoint", function (m, atom1, atom2, x, y, z) { m.rotTrans2 (atom1, atom2); @@ -108,7 +134,7 @@ for (var j = 0; j < 3; j++) sb.appendI (Clazz.floatToInt (r[j])).append ("\t"); var trans = r[3]; if (trans != Clazz.floatToInt (trans)) trans = 12 * trans; -sb.append (JS.SymmetryOperation.twelfthsOf (isCanonical ? (Clazz.floatToInt (trans) + 12) % 12 : Clazz.floatToInt (trans))).append ("\t]\n"); +sb.append (JS.SymmetryOperation.twelfthsOf (isCanonical ? JS.SymmetryOperation.normalizeTwelfths (trans / 12, 12, true) : Clazz.floatToInt (trans))).append ("\t]\n"); } return sb.toString (); }, "JU.M4,~B"); @@ -116,6 +142,7 @@ Clazz.defineMethod (c$, "setMatrixFromXYZ", function (xyz, modDim, allowScaling) { if (xyz == null) return false; this.xyzOriginal = xyz; +this.divisor = JS.SymmetryOperation.setDivisor (xyz); xyz = xyz.toLowerCase (); this.setModDim (modDim); var isReverse = (xyz.startsWith ("!")); @@ -151,15 +178,28 @@ xyz = xyz.substring (0, pt); allowScaling = false; }var strOut = JS.SymmetryOperation.getMatrixFromString (this, xyz, this.linearRotTrans, allowScaling); if (strOut == null) return false; +this.xyzCanonical = strOut; if (mxyz != null) { var isProper = (JU.M4.newA16 (this.linearRotTrans).determinant3 () == 1); this.timeReversal = (((xyz.indexOf ("-x") < 0) == (mxyz.indexOf ("-mx") < 0)) == isProper ? 1 : -1); }this.setMatrix (isReverse); -this.xyz = (isReverse ? JS.SymmetryOperation.getXYZFromMatrix (this, true, false, false) : strOut); +this.xyz = (isReverse ? JS.SymmetryOperation.getXYZFromMatrix (this, true, false, false) : this.doNormalize ? strOut : xyz); if (this.timeReversal != 0) this.xyz += (this.timeReversal == 1 ? ",m" : ",-m"); if (JU.Logger.debugging) JU.Logger.debug ("" + this); return true; }, "~S,~N,~B"); +c$.setDivisor = Clazz.defineMethod (c$, "setDivisor", + function (xyz) { +var pt = xyz.indexOf ('/'); +var len = xyz.length; +while (pt > 0 && pt < len - 1) { +var c = xyz.charAt (pt + 1); +if ("2346".indexOf (c) < 0 || pt < len - 2 && Character.isDigit (xyz.charAt (pt + 2))) { +return 0; +}pt = xyz.indexOf ('/', pt + 1); +} +return 12; +}, "~S"); Clazz.defineMethod (c$, "setModDim", function (dim) { var n = (dim + 4) * (dim + 4); @@ -193,14 +233,17 @@ v = this.linearRotTrans[i]; if (Math.abs (v) < 0.00001) v = 0; var isTrans = ((i + 1) % (n + 1) == 0); if (isTrans) { +var denom = (this.divisor == 0 ? (Clazz.floatToInt (v)) & 255 : this.divisor); +if (denom == 0) denom = 12; +v = JS.SymmetryOperation.finalizeF (v, this.divisor); if (offset != null) { -v /= 12; if (pt < offset.length) v += offset[pt++]; -}v = JS.SymmetryOperation.normalizeTwelfths ((v < 0 ? -1 : 1) * Math.abs (v * 12) / 12, this.doNormalize); +}v = JS.SymmetryOperation.normalizeTwelfths ((v < 0 ? -1 : 1) * Math.abs (v * denom) / denom, denom, this.doNormalize); +if (this.divisor == 0) v = JS.SymmetryOperation.toDivisor (v, denom); rowPt++; }this.linearRotTrans[i] = v; } -this.linearRotTrans[this.linearRotTrans.length - 1] = 1; +this.linearRotTrans[this.linearRotTrans.length - 1] = this.divisor; this.setMatrix (isReverse); this.isFinalized = (offset == null); this.xyz = JS.SymmetryOperation.getXYZFromMatrix (this, true, false, false); @@ -209,8 +252,8 @@ return true; c$.getMatrixFromXYZ = Clazz.defineMethod (c$, "getMatrixFromXYZ", function (xyz) { var linearRotTrans = Clazz.newFloatArray (16, 0); -xyz = JS.SymmetryOperation.getMatrixFromString (null, xyz, linearRotTrans, false); -return (xyz == null ? null : JS.SymmetryOperation.div12 (JU.M4.newA16 (linearRotTrans))); +xyz = JS.SymmetryOperation.getMatrixFromString (null, "!" + xyz, linearRotTrans, false); +return (xyz == null ? null : JS.SymmetryOperation.div12 (JU.M4.newA16 (linearRotTrans), JS.SymmetryOperation.setDivisor (xyz))); }, "~S"); c$.getMatrixFromString = Clazz.defineMethod (c$, "getMatrixFromString", function (op, xyz, linearRotTrans, allowScaling) { @@ -219,7 +262,8 @@ var isDecimal = false; var isNegative = false; var modDim = (op == null ? 0 : op.modDim); var nRows = 4 + modDim; -var doNormalize = (op != null && op.doNormalize); +var divisor = (op == null ? JS.SymmetryOperation.setDivisor (xyz) : op.divisor); +var doNormalize = (op == null ? !xyz.startsWith ("!") : op.doNormalize); var dimOffset = (modDim > 0 ? 3 : 0); linearRotTrans[linearRotTrans.length - 1] = 1; var transPt = xyz.indexOf (';') + 1; @@ -237,11 +281,14 @@ var tpt0 = 0; var rowPt = 0; var ch; var iValue = 0; -var tensDenom = 0; +var denom = 0; +var numer = 0; var decimalMultiplier = 1; var strT = ""; var strOut = ""; -for (var i = 0; i < xyz.length; i++) { +var ret = Clazz.newIntArray (1, 0); +var len = xyz.length; +for (var i = 0; i < len; i++) { switch (ch = xyz.charAt (i)) { case ';': break; @@ -258,7 +305,7 @@ case '+': isNegative = false; continue; case '/': -tensDenom = 0; +denom = 0; isDenominator = true; continue; case 'x': @@ -291,16 +338,18 @@ rotPt = i; i = transPt - 1; transPt = -i; iValue = 0; -tensDenom = 0; +denom = 0; continue; }transPt = i + 1; i = rotPt; -}iValue = JS.SymmetryOperation.normalizeTwelfths (iValue, doNormalize); -linearRotTrans[tpt0 + nRows - 1] = iValue; -strT += JS.SymmetryOperation.xyzFraction12 (iValue, false, true); +}iValue = JS.SymmetryOperation.normalizeTwelfths (iValue, denom == 0 ? 12 : divisor == 0 ? denom : divisor, doNormalize); +linearRotTrans[tpt0 + nRows - 1] = (divisor == 0 && denom > 0 ? iValue = JS.SymmetryOperation.toDivisor (numer, denom) : iValue); +strT += JS.SymmetryOperation.xyzFraction12 (iValue, (divisor == 0 ? denom : divisor), false, true); strOut += (strOut === "" ? "" : ",") + strT; if (rowPt == nRows - 2) return strOut; iValue = 0; +numer = 0; +denom = 0; strT = ""; if (rowPt++ > 2 && modDim == 0) { JU.Logger.warn ("Symmetry Operation? " + xyz); @@ -311,7 +360,7 @@ isDecimal = true; decimalMultiplier = 1; continue; case '0': -if (!isDecimal && (isDenominator || !allowScaling)) continue; +if (!isDecimal && divisor == 12 && (isDenominator || !allowScaling)) continue; default: var ich = ch.charCodeAt (0) - 48; if (ich >= 0 && ich <= 9) { @@ -321,15 +370,15 @@ if (iValue < 0) isNegative = true; iValue += decimalMultiplier * ich * (isNegative ? -1 : 1); continue; }if (isDenominator) { -if (ich == 1) { -tensDenom = 1; -continue; -}if (tensDenom == 1) { -ich += tensDenom * 10; -}if (iValue == 0) { -linearRotTrans[xpt] /= ich; +ret[0] = i; +denom = JU.PT.parseIntNext (xyz, ret); +if (denom < 0) return null; +i = ret[0] - 1; +if (iValue == 0) { +linearRotTrans[xpt] /= denom; } else { -iValue /= ich; +numer = Clazz.floatToInt (iValue); +iValue /= denom; }} else { iValue = iValue * 10 + (isNegative ? -1 : 1) * ich; isNegative = false; @@ -346,20 +395,34 @@ for (var i = n; --i >= 0; ) xyz = JU.PT.rep (xyz, JS.SymmetryOperation.labelsXn[ return xyz; }, "~S,~N"); +c$.toDivisor = Clazz.defineMethod (c$, "toDivisor", + function (numer, denom) { +var n = Clazz.floatToInt (numer); +if (n != numer) { +var f = numer - n; +denom = Clazz.floatToInt (Math.abs (denom / f)); +n = Clazz.floatToInt (Math.abs (numer) / f); +}return ((n << 8) + denom); +}, "~N,~N"); c$.xyzFraction12 = Clazz.defineMethod (c$, "xyzFraction12", - function (n12ths, allPositive, halfOrLess) { + function (n12ths, denom, allPositive, halfOrLess) { var n = n12ths; +if (denom != 12) { +var $in = Clazz.floatToInt (n); +denom = ($in & 255); +n = $in >> 8; +}var half = (Clazz.doubleToInt (denom / 2)); if (allPositive) { -while (n < 0) n += 12; +while (n < 0) n += denom; } else if (halfOrLess) { -while (n > 6) n -= 12; +while (n > half) n -= denom; -while (n < -6.0) n += 12; +while (n < -half) n += denom; -}var s = JS.SymmetryOperation.twelfthsOf (n); +}var s = (denom == 12 ? JS.SymmetryOperation.twelfthsOf (n) : n == 0 ? "0" : n + "/" + denom); return (s.charAt (0) == '0' ? "" : n > 0 ? "+" + s : s); -}, "~N,~B,~B"); +}, "~N,~N,~B,~B"); c$.twelfthsOf = Clazz.defineMethod (c$, "twelfthsOf", function (n12ths) { var str = ""; @@ -404,77 +467,37 @@ break; n = (Clazz.doubleToInt (n * m / 12)); }return str + n + "/" + m; }, "~N"); -c$.fortyEighthsOf = Clazz.defineMethod (c$, "fortyEighthsOf", -function (n48ths) { -var str = ""; -if (n48ths < 0) { -n48ths = -n48ths; -str = "-"; -}var m = 12; -var n = Math.round (n48ths); -if (Math.abs (n - n48ths) > 0.01) { -var f = n48ths / 48; -var max = 20; -for (m = 5; m < max; m++) { -var fm = f * m; -n = Math.round (fm); -if (Math.abs (n - fm) < 0.01) break; -} -if (m == max) return str + f; -} else { -if (n == 48) return str + "1"; -if (n < 48) return str + JS.SymmetryOperation.twelfths[n % 48]; -switch (n % 48) { -case 0: -return "" + Clazz.doubleToInt (n / 48); -case 2: -case 10: -m = 6; -break; -case 3: -case 9: -m = 4; -break; -case 4: -case 8: -m = 3; -break; -case 6: -m = 2; -break; -default: -break; -} -n = (Clazz.doubleToInt (n * m / 12)); -}return str + n + "/" + m; -}, "~N"); c$.plusMinus = Clazz.defineMethod (c$, "plusMinus", function (strT, x, sx) { return (x == 0 ? "" : (x < 0 ? "-" : strT.length == 0 ? "" : "+") + (x == 1 || x == -1 ? "" : "" + Clazz.floatToInt (Math.abs (x))) + sx); }, "~S,~N,~S"); c$.normalizeTwelfths = Clazz.defineMethod (c$, "normalizeTwelfths", - function (iValue, doNormalize) { -iValue *= 12; + function (iValue, divisor, doNormalize) { +iValue *= divisor; +var half = Clazz.doubleToInt (divisor / 2); if (doNormalize) { -while (iValue > 6) iValue -= 12; +while (iValue > half) iValue -= divisor; -while (iValue <= -6) iValue += 12; +while (iValue <= -half) iValue += divisor; }return iValue; -}, "~N,~B"); +}, "~N,~N,~B"); c$.getXYZFromMatrix = Clazz.defineMethod (c$, "getXYZFromMatrix", function (mat, is12ths, allPositive, halfOrLess) { var str = ""; var op = (Clazz.instanceOf (mat, JS.SymmetryOperation) ? mat : null); if (op != null && op.modDim > 0) return JS.SymmetryOperation.getXYZFromRsVs (op.rsvs.getRotation (), op.rsvs.getTranslation (), is12ths); var row = Clazz.newFloatArray (4, 0); +var denom = Clazz.floatToInt (mat.getElement (3, 3)); +if (denom == 1) denom = 12; + else mat.setElement (3, 3, 1); for (var i = 0; i < 3; i++) { var lpt = (i < 3 ? 0 : 3); mat.getRow (i, row); var term = ""; for (var j = 0; j < 3; j++) if (row[j] != 0) term += JS.SymmetryOperation.plusMinus (term, row[j], JS.SymmetryOperation.labelsXYZ[j + lpt]); -term += JS.SymmetryOperation.xyzFraction12 ((is12ths ? row[3] : row[3] * 12), allPositive, halfOrLess); +term += JS.SymmetryOperation.xyzFraction12 ((is12ths ? row[3] : row[3] * denom), denom, allPositive, halfOrLess); str += "," + term; } return str.substring (1); @@ -521,6 +544,18 @@ vRot[i] = JU.V3.newV (ptTemp); } return vRot; }, "~A,JS.UnitCell,JU.P3,JU.M3"); +Clazz.defineMethod (c$, "fcoord2", +function (p) { +if (this.divisor == 12) return JS.SymmetryOperation.fcoord (p); +return this.fc2 (this.linearRotTrans[3]) + " " + this.fc2 (this.linearRotTrans[7]) + " " + this.fc2 (this.linearRotTrans[11]); +}, "JU.T3"); +Clazz.defineMethod (c$, "fc2", + function (f) { +var num = Clazz.floatToInt (f); +var denom = (num & 255); +num = num >> 8; +return (num == 0 ? "0" : num + "/" + denom); +}, "~N"); c$.fcoord = Clazz.defineMethod (c$, "fcoord", function (p) { return JS.SymmetryOperation.fc (p.x) + " " + JS.SymmetryOperation.fc (p.y) + " " + JS.SymmetryOperation.fc (p.z); @@ -531,8 +566,9 @@ var xabs = Math.abs (x); var m = (x < 0 ? "-" : ""); var x24 = Clazz.floatToInt (JS.SymmetryOperation.approxF (xabs * 24)); if (x24 / 24 == Clazz.floatToInt (x24 / 24)) return m + (Clazz.doubleToInt (x24 / 24)); -if (x24 % 8 != 0) return m + JS.SymmetryOperation.twelfthsOf (x24 >> 1); -return (x24 == 0 ? "0" : x24 == 24 ? m + "1" : m + (Clazz.doubleToInt (x24 / 8)) + "/3"); +if (x24 % 8 != 0) { +return m + JS.SymmetryOperation.twelfthsOf (x24 >> 1); +}return (x24 == 0 ? "0" : x24 == 24 ? m + "1" : m + (Clazz.doubleToInt (x24 / 8)) + "/3"); }, "~N"); c$.approxF = Clazz.defineMethod (c$, "approxF", function (f) { @@ -551,7 +587,7 @@ var r = ra[i][j]; if (r != 0) { s += (r < 0 ? "-" : s.endsWith (",") ? "" : "+") + (Math.abs (r) == 1 ? "" : "" + Clazz.doubleToInt (Math.abs (r))) + "x" + (j + 1); }} -s += JS.SymmetryOperation.xyzFraction12 (Clazz.doubleToInt (va[i][0] * (is12ths ? 1 : 12)), false, true); +s += JS.SymmetryOperation.xyzFraction12 (Clazz.doubleToInt (va[i][0] * (is12ths ? 1 : 12)), 12, false, true); } return JU.PT.rep (s.substring (1), ",+", ","); }, "JU.Matrix,JU.Matrix,~B"); @@ -601,7 +637,7 @@ if (this.info == null) { this.info = new java.util.Hashtable (); this.info.put ("xyz", this.xyz); if (this.centering != null) this.info.put ("centering", this.centering); -this.info.put ("index", Integer.$valueOf (this.index)); +this.info.put ("index", Integer.$valueOf (this.number - 1)); this.info.put ("isCenteringOp", Boolean.$valueOf (this.isCenteringOp)); if (this.linearRotTrans != null) this.info.put ("linearRotTrans", this.linearRotTrans); this.info.put ("modulationDimension", Integer.$valueOf (this.modDim)); @@ -614,8 +650,9 @@ if (this.xyzOriginal != null) this.info.put ("xyzOriginal", this.xyzOriginal); }); Clazz.defineStatics (c$, "atomTest", null, -"twelfths", Clazz.newArray (-1, ["0", "1/12", "1/6", "1/4", "1/3", "5/12", "1/2", "7/12", "2/3", "3/4", "5/6", "11/12"]), -"fortyeigths", Clazz.newArray (-1, ["0", "1/48", "1/24", "1/16", "1/12", "5/48", "1/8", "7/48", "1/6", "3/16", "5/24", "11/48", "1/4", "13/48", "7/24", "5/16", "1/3", "17/48", "3/8", "19/48", "5/12", "7/16", "11/24", "23/48", "1/2", "25/48", "13/24", "9/16", "7/12", "29/48", "15/24", "31/48", "2/3", "11/12", "17/16", "35/48", "3/4", "37/48", "19/24", "13/16", "5/6", "41/48", "7/8", "43/48", "11/12", "15/16", "23/24", "47/48"])); +"DIVISOR_MASK", 0xFF, +"DIVISOR_OFFSET", 8, +"twelfths", Clazz.newArray (-1, ["0", "1/12", "1/6", "1/4", "1/3", "5/12", "1/2", "7/12", "2/3", "3/4", "5/6", "11/12"])); c$.labelsXYZ = c$.prototype.labelsXYZ = Clazz.newArray (-1, ["x", "y", "z"]); c$.labelsXn = c$.prototype.labelsXn = Clazz.newArray (-1, ["x1", "x2", "x3", "x4", "x5", "x6", "x7", "x8", "x9", "x10", "x11", "x12", "x13"]); c$.labelsXnSub = c$.prototype.labelsXnSub = Clazz.newArray (-1, ["x", "y", "z", "a", "b", "c", "d", "e", "f", "g", "h", "i", "j"]); diff --git a/qmpy/web/static/js/jsmol/j2s/JS/T.js b/qmpy/web/static/js/jsmol/j2s/JS/T.js index 3dfbe472..8d3106b0 100644 --- a/qmpy/web/static/js/jsmol/j2s/JS/T.js +++ b/qmpy/web/static/js/jsmol/j2s/JS/T.js @@ -286,7 +286,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "hbond", 1613238294, "history", 1610616855, "image", 4120, -"initialize", 266265, +"initialize", 4121, "invertSelected", 4122, "loop", 528411, "macro", 4124, @@ -299,6 +299,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "navigate", 4131, "parallel", 102436, "plot", 4133, +"privat", 4134, "process", 102439, "quit", 266281, "ramachandran", 4138, @@ -549,10 +550,10 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "getproperty", 1275072526, "helix", 136314895, "$in", 1275068432, +"inchi", 1275068433, "label", 1825200146, "measure", 1745489939, "modulation", 1275072532, -"now", 134217749, "pivot", 1275068437, "plane", 134217750, "point", 134217751, @@ -595,6 +596,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "smiles", 134218757, "contact", 134353926, "eval", 134218759, +"now", 134218760, "add", 1275069441, "cross", 1275069442, "distance", 1275069443, @@ -677,14 +679,15 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "bondtolerance", 570425348, "cameradepth", 570425350, "defaultdrawarrowscale", 570425352, -"defaulttranslucent", 570425354, -"dipolescale", 570425355, -"drawfontsize", 570425356, -"ellipsoidaxisdiameter", 570425357, -"exportscale", 570425358, -"gestureswipefactor", 570425359, -"hbondsangleminimum", 570425360, -"hbondsdistancemaximum", 570425361, +"defaulttranslucent", 570425353, +"dipolescale", 570425354, +"drawfontsize", 570425355, +"ellipsoidaxisdiameter", 570425356, +"exportscale", 570425357, +"gestureswipefactor", 570425358, +"hbondsangleminimum", 570425359, +"hbondnodistancemaximum", 570425360, +"hbondhxdistancemaximum", 570425361, "hoverdelay", 570425362, "loadatomdatatolerance", 570425363, "minbonddistance", 570425364, @@ -792,12 +795,13 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "cartoonsteps", 603979811, "bondmodeor", 603979812, "bondpicking", 603979814, -"cartoonbaseedges", 603979816, -"cartoonsfancy", 603979817, -"cartoonladders", 603979818, -"cartoonribose", 603979819, -"cartoonrockets", 603979820, -"celshading", 603979821, +"cartoonbaseedges", 603979815, +"cartoonsfancy", 603979816, +"cartoonladders", 603979817, +"cartoonribose", 603979818, +"cartoonrockets", 603979819, +"celshading", 603979820, +"checkcir", 603979821, "chaincasesensitive", 603979822, "ciprule6full", 603979823, "colorrasmol", 603979824, @@ -951,7 +955,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "cancel", 1073741874, "cap", 1073741875, "cavity", 1073741876, -"check", 1073741878, +"check", 1073741877, "chemical", 1073741879, "circle", 1073741880, "clash", 1073741881, @@ -1010,7 +1014,6 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "homo", 1073741973, "id", 1073741974, "ignore", 1073741976, -"inchi", 1073741977, "inchikey", 1073741978, "increment", 1073741981, "info", 1073741982, @@ -1234,8 +1237,8 @@ JS.T.tokenMap.put (lcase, tokenThis); tokenLast = tokenThis; } arrayPairs = null; -var sTokens = Clazz.newArray (-1, ["+=", "-=", "*=", "/=", "\\=", "&=", "|=", "not", "!", "xor", "tog", "<", "<=", ">=", ">", "!=", "<>", "LIKE", "within", ".", "..", "[", "]", "{", "}", "$", "%", ";", "++", "--", "**", "\\", "animation", "anim", "assign", "axes", "backbone", "background", "bind", "bondorder", "boundbox", "boundingBox", "break", "calculate", "capture", "cartoon", "cartoons", "case", "catch", "cd", "center", "centre", "centerat", "cgo", "color", "colour", "compare", "configuration", "conformation", "config", "connect", "console", "contact", "contacts", "continue", "data", "default", "define", "@", "delay", "delete", "density", "depth", "dipole", "dipoles", "display", "dot", "dots", "draw", "echo", "ellipsoid", "ellipsoids", "else", "elseif", "end", "endif", "exit", "eval", "file", "files", "font", "for", "format", "frame", "frames", "frank", "function", "functions", "geosurface", "getProperty", "goto", "halo", "halos", "helix", "helixalpha", "helix310", "helixpi", "hbond", "hbonds", "help", "hide", "history", "hover", "if", "in", "initialize", "invertSelected", "isosurface", "javascript", "label", "labels", "lcaoCartoon", "lcaoCartoons", "load", "log", "loop", "measure", "measures", "monitor", "monitors", "meshribbon", "meshribbons", "message", "minimize", "minimization", "mo", "model", "models", "modulation", "move", "moveTo", "mutate", "navigate", "navigation", "nbo", "origin", "out", "parallel", "pause", "wait", "plot", "plot3d", "pmesh", "polygon", "polyhedra", "polyhedron", "print", "process", "prompt", "quaternion", "quaternions", "quit", "ramachandran", "rama", "refresh", "reset", "unset", "restore", "restrict", "return", "ribbon", "ribbons", "rocket", "rockets", "rotate", "rotateSelected", "save", "select", "selectionHalos", "selectionHalo", "showSelections", "sheet", "show", "slab", "spacefill", "cpk", "spin", "ssbond", "ssbonds", "star", "stars", "step", "steps", "stereo", "strand", "strands", "structure", "_structure", "strucNo", "struts", "strut", "subset", "subsystem", "synchronize", "sync", "trace", "translate", "translateSelected", "try", "unbind", "unitcell", "var", "vector", "vectors", "vibration", "while", "wireframe", "write", "zap", "zoom", "zoomTo", "atom", "atoms", "axisangle", "basepair", "basepairs", "orientation", "orientations", "pdbheader", "polymer", "polymers", "residue", "residues", "rotation", "row", "sequence", "seqcode", "shape", "state", "symbol", "symmetry", "spaceGroup", "transform", "translation", "url", "_", "abs", "absolute", "acos", "add", "adpmax", "adpmin", "align", "altloc", "altlocs", "ambientOcclusion", "amino", "angle", "array", "as", "atomID", "_atomID", "_a", "atomIndex", "atomName", "atomno", "atomType", "atomX", "atomY", "atomZ", "average", "babel", "babel21", "back", "backlit", "backshell", "balls", "baseModel", "best", "beta", "bin", "bondCount", "bonded", "bottom", "branch", "brillouin", "bzone", "wignerSeitz", "cache", "carbohydrate", "cell", "chain", "chains", "chainNo", "chemicalShift", "cs", "clash", "clear", "clickable", "clipboard", "connected", "context", "constraint", "contourLines", "coord", "coordinates", "coords", "cos", "cross", "covalentRadius", "covalent", "direction", "displacement", "displayed", "distance", "div", "DNA", "domains", "dotted", "DSSP", "DSSR", "element", "elemno", "_e", "error", "exportScale", "fill", "find", "fixedTemperature", "forcefield", "formalCharge", "charge", "eta", "front", "frontlit", "frontOnly", "fullylit", "fx", "fy", "fz", "fxyz", "fux", "fuy", "fuz", "fuxyz", "group", "groups", "group1", "groupID", "_groupID", "_g", "groupIndex", "hidden", "highlight", "hkl", "hydrophobicity", "hydrophobic", "hydro", "id", "identify", "ident", "image", "info", "infoFontSize", "inline", "insertion", "insertions", "intramolecular", "intra", "intermolecular", "inter", "bondingRadius", "ionicRadius", "ionic", "isAromatic", "Jmol", "JSON", "join", "keys", "last", "left", "length", "lines", "list", "magneticShielding", "ms", "mass", "max", "mep", "mesh", "middle", "min", "mlp", "mode", "modify", "modifyOrCreate", "modt", "modt1", "modt2", "modt3", "modx", "mody", "modz", "modo", "modxyz", "molecule", "molecules", "modelIndex", "monomer", "morph", "movie", "mouse", "mul", "mul3", "nboCharges", "nci", "next", "noDelay", "noDots", "noFill", "noMesh", "none", "null", "inherit", "normal", "noBackshell", "noContourLines", "notFrontOnly", "noTriangles", "now", "nucleic", "occupancy", "omega", "only", "opaque", "options", "partialCharge", "phi", "pivot", "plane", "planar", "play", "playRev", "point", "points", "pointGroup", "polymerLength", "pop", "previous", "prev", "probe", "property", "properties", "protein", "psi", "purine", "push", "PyMOL", "pyrimidine", "random", "range", "rasmol", "replace", "resno", "resume", "rewind", "reverse", "right", "rmsd", "RNA", "rna3d", "rock", "rubberband", "saSurface", "saved", "scale", "scene", "search", "smarts", "selected", "seqid", "shapely", "sidechain", "sin", "site", "size", "smiles", "substructure", "solid", "sort", "specialPosition", "sqrt", "split", "starWidth", "starScale", "stddev", "straightness", "structureId", "supercell", "sub", "sum", "sum2", "surface", "surfaceDistance", "symop", "sx", "sy", "sz", "sxyz", "temperature", "relativeTemperature", "tensor", "theta", "thisModel", "ticks", "top", "torsion", "trajectory", "trajectories", "translucent", "transparent", "triangles", "trim", "type", "ux", "uy", "uz", "uxyz", "user", "valence", "vanderWaals", "vdw", "vdwRadius", "visible", "volume", "vx", "vy", "vz", "vxyz", "xyz", "w", "x", "y", "z", "addHydrogens", "allConnected", "angstroms", "anisotropy", "append", "arc", "area", "aromatic", "arrow", "async", "audio", "auto", "axis", "barb", "binary", "blockData", "cancel", "cap", "cavity", "centroid", "check", "chemical", "circle", "collapsed", "col", "colorScheme", "command", "commands", "contour", "contours", "corners", "count", "criterion", "create", "crossed", "curve", "cutoff", "cylinder", "diameter", "discrete", "distanceFactor", "downsample", "drawing", "dynamicMeasurements", "eccentricity", "ed", "edges", "edgesOnly", "energy", "exitJmol", "faceCenterOffset", "filter", "first", "fixed", "fix", "flat", "fps", "from", "frontEdges", "full", "fullPlane", "functionXY", "functionXYZ", "gridPoints", "hiddenLinesDashed", "homo", "ignore", "InChI", "InChIKey", "increment", "insideout", "interior", "intersection", "intersect", "internal", "lattice", "line", "lineData", "link", "lobe", "lonePair", "lp", "lumo", "macro", "manifest", "mapProperty", "map", "maxSet", "menu", "minSet", "modelBased", "molecular", "mrc", "msms", "name", "nmr", "noCross", "noDebug", "noEdges", "noHead", "noLoad", "noPlane", "object", "obj", "offset", "offsetSide", "once", "orbital", "atomicOrbital", "packed", "palindrome", "parameters", "path", "pdb", "period", "periodic", "perpendicular", "perp", "phase", "planarParam", "pocket", "pointsPerAngstrom", "radical", "rad", "reference", "remove", "resolution", "reverseColor", "rotate45", "selection", "sigma", "sign", "silent", "sphere", "squared", "stdInChI", "stdInChIKey", "stop", "title", "titleFormat", "to", "validation", "value", "variable", "variables", "vertices", "width", "wigner", "backgroundModel", "celShading", "celShadingPower", "debug", "debugHigh", "defaultLattice", "measurements", "measurement", "scale3D", "toggleLabel", "userColorScheme", "throw", "timeout", "timeouts", "window", "animationMode", "appletProxy", "atomTypes", "axesColor", "axis1Color", "axis2Color", "axis3Color", "backgroundColor", "bondmode", "boundBoxColor", "boundingBoxColor", "chirality", "cipRule", "currentLocalPath", "dataSeparator", "defaultAngleLabel", "defaultColorScheme", "defaultColors", "defaultDirectory", "defaultDistanceLabel", "defaultDropScript", "defaultLabelPDB", "defaultLabelXYZ", "defaultLoadFilter", "defaultLoadScript", "defaults", "defaultTorsionLabel", "defaultVDW", "drawFontSize", "eds", "edsDiff", "energyUnits", "fileCacheDirectory", "fontsize", "helpPath", "hoverLabel", "language", "loadFormat", "loadLigandFormat", "logFile", "measurementUnits", "nihResolverFormat", "nmrPredictFormat", "nmrUrlFormat", "pathForAllFiles", "picking", "pickingStyle", "pickLabel", "platformSpeed", "propertyColorScheme", "quaternionFrame", "smilesUrlFormat", "smiles2dImageFormat", "unitCellColor", "axesOffset", "axisOffset", "axesScale", "axisScale", "bondTolerance", "cameraDepth", "defaultDrawArrowScale", "defaultTranslucent", "dipoleScale", "ellipsoidAxisDiameter", "gestureSwipeFactor", "hbondsAngleMinimum", "hbondsDistanceMaximum", "hoverDelay", "loadAtomDataTolerance", "minBondDistance", "minimizationCriterion", "minimizationMaxAtoms", "modulationScale", "mouseDragFactor", "mouseWheelFactor", "navFPS", "navigationDepth", "navigationSlab", "navigationSpeed", "navX", "navY", "navZ", "particleRadius", "pointGroupDistanceTolerance", "pointGroupLinearTolerance", "radius", "rotationRadius", "scaleAngstromsPerInch", "sheetSmoothing", "slabRange", "solventProbeRadius", "spinFPS", "spinX", "spinY", "spinZ", "stereoDegrees", "strutDefaultRadius", "strutLengthMaximum", "vectorScale", "vectorsCentered", "vectorSymmetry", "vectorTrail", "vibrationPeriod", "vibrationScale", "visualRange", "ambientPercent", "ambient", "animationFps", "axesMode", "bondRadiusMilliAngstroms", "bondingVersion", "delayMaximumMs", "diffusePercent", "diffuse", "dotDensity", "dotScale", "ellipsoidDotCount", "helixStep", "hermiteLevel", "historyLevel", "lighting", "logLevel", "meshScale", "minimizationSteps", "minPixelSelRadius", "percentVdwAtom", "perspectiveModel", "phongExponent", "pickingSpinRate", "propertyAtomNumberField", "propertyAtomNumberColumnCount", "propertyDataColumnCount", "propertyDataField", "repaintWaitMs", "ribbonAspectRatio", "contextDepthMax", "scriptReportingLevel", "showScript", "smallMoleculeMaxAtoms", "specular", "specularExponent", "specularPercent", "specPercent", "specularPower", "specpower", "strandCount", "strandCountForMeshRibbon", "strandCountForStrands", "strutSpacing", "zDepth", "zSlab", "zshadePower", "allowEmbeddedScripts", "allowGestures", "allowKeyStrokes", "allowModelKit", "allowMoveAtoms", "allowMultiTouch", "allowRotateSelected", "antialiasDisplay", "antialiasImages", "antialiasTranslucent", "appendNew", "applySymmetryToBonds", "atomPicking", "allowAudio", "autobond", "autoFPS", "autoplayMovie", "axesMolecular", 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"isosurfacePropertySmoothingPower", "jmolInJSpecView", "justifyMeasurements", "languageTranslation", "leadAtom", "leadAtoms", "legacyAutoBonding", "legacyHAddition", "legacyJavaFloat", "logCommands", "logGestures", "macroDirectory", "measureAllModels", "measurementLabels", "measurementNumbers", "messageStyleChime", "minimizationRefresh", "minimizationSilent", "modelkitMode", "modelkit", "modulateOccupancy", "monitorEnergy", "multiplebondbananas", "multipleBondRadiusFactor", "multipleBondSpacing", "multiProcessor", "navigateSurface", "navigationMode", "navigationPeriodic", "partialDots", "pdbAddHydrogens", "pdbGetHeader", "pdbSequential", "perspectiveDepth", "preserveState", "rangeSelected", "redoMove", "refreshing", "ribbonBorder", "rocketBarrels", "saveProteinStructureState", "scriptQueue", "selectAllModels", "selectHetero", "selectHydrogen", "showAxes", "showBoundBox", "showBoundingBox", "showFrank", "showHiddenSelectionHalos", "showHydrogens", "showKeyStrokes", "showMeasurements", 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"navZ", "particleRadius", "pointGroupDistanceTolerance", "pointGroupLinearTolerance", "radius", "rotationRadius", "scaleAngstromsPerInch", "sheetSmoothing", "slabRange", "solventProbeRadius", "spinFPS", "spinX", "spinY", "spinZ", "stereoDegrees", "strutDefaultRadius", "strutLengthMaximum", "vectorScale", "vectorsCentered", "vectorSymmetry", "vectorTrail", "vibrationPeriod", "vibrationScale", "visualRange", "ambientPercent", "ambient", "animationFps", "axesMode", "bondRadiusMilliAngstroms", "bondingVersion", "delayMaximumMs", "diffusePercent", "diffuse", "dotDensity", "dotScale", "ellipsoidDotCount", "helixStep", "hermiteLevel", "historyLevel", "lighting", "logLevel", "meshScale", "minimizationSteps", "minPixelSelRadius", "percentVdwAtom", "perspectiveModel", "phongExponent", "pickingSpinRate", "propertyAtomNumberField", "propertyAtomNumberColumnCount", "propertyDataColumnCount", "propertyDataField", "repaintWaitMs", "ribbonAspectRatio", "contextDepthMax", "scriptReportingLevel", "showScript", "smallMoleculeMaxAtoms", "specular", "specularExponent", "specularPercent", "specPercent", "specularPower", "specpower", "strandCount", "strandCountForMeshRibbon", "strandCountForStrands", "strutSpacing", "zDepth", "zSlab", "zshadePower", "allowEmbeddedScripts", "allowGestures", "allowKeyStrokes", "allowModelKit", "allowMoveAtoms", "allowMultiTouch", "allowRotateSelected", "antialiasDisplay", "antialiasImages", "antialiasTranslucent", "appendNew", "applySymmetryToBonds", "atomPicking", "allowAudio", "autobond", "autoFPS", "autoplayMovie", "axesMolecular", "axesOrientationRasmol", "axesUnitCell", "axesWindow", "bondModeOr", "bondPicking", "bonds", "bond", "cartoonBaseEdges", "cartoonBlocks", "cartoonBlockHeight", "cartoonsFancy", "cartoonFancy", "cartoonLadders", "cartoonRibose", "cartoonRockets", "cartoonSteps", "chainCaseSensitive", "cipRule6Full", "colorRasmol", "debugScript", "defaultStructureDssp", "disablePopupMenu", "displayCellParameters", "showUnitcellInfo", "dotsSelectedOnly", "dotSurface", "dragSelected", "drawHover", "drawPicking", "dsspCalculateHydrogenAlways", "ellipsoidArcs", "ellipsoidArrows", "ellipsoidAxes", "ellipsoidBall", "ellipsoidDots", "ellipsoidFill", "fileCaching", "fontCaching", "fontScaling", "forceAutoBond", "fractionalRelative", "greyscaleRendering", "hbondsBackbone", "hbondsRasmol", "hbondsSolid", "hetero", "hideNameInPopup", "hideNavigationPoint", "hideNotSelected", "highResolution", "hydrogen", "hydrogens", "imageState", "isKiosk", "isosurfaceKey", "isosurfacePropertySmoothing", "isosurfacePropertySmoothingPower", "jmolInJSpecView", "justifyMeasurements", "languageTranslation", "leadAtom", "leadAtoms", "legacyAutoBonding", "legacyHAddition", "legacyJavaFloat", "logCommands", "logGestures", "macroDirectory", "measureAllModels", "measurementLabels", "measurementNumbers", "messageStyleChime", "minimizationRefresh", "minimizationSilent", "modelkitMode", "modelkit", "modulateOccupancy", "monitorEnergy", "multiplebondbananas", "multipleBondRadiusFactor", "multipleBondSpacing", "multiProcessor", "navigateSurface", "navigationMode", "navigationPeriodic", "partialDots", "pdbAddHydrogens", "pdbGetHeader", "pdbSequential", "perspectiveDepth", "preserveState", "rangeSelected", "redoMove", "refreshing", "ribbonBorder", "rocketBarrels", "saveProteinStructureState", "scriptQueue", "selectAllModels", "selectHetero", "selectHydrogen", "showAxes", "showBoundBox", "showBoundingBox", "showFrank", "showHiddenSelectionHalos", "showHydrogens", "showKeyStrokes", "showMeasurements", "showModulationVectors", "showMultipleBonds", "showNavigationPointAlways", "showTiming", "showUnitcell", "showUnitcellDetails", "slabByAtom", "slabByMolecule", "slabEnabled", "smartAromatic", "solvent", "solventProbe", "ssBondsBackbone", "statusReporting", "strutsMultiple", "syncMouse", "syncScript", "testFlag1", "testFlag2", "testFlag3", "testFlag4", "traceAlpha", "twistedSheets", "undo", "undoMove", "useMinimizationThread", "useNumberLocalization", "waitForMoveTo", "windowCentered", "wireframeRotation", "zeroBasedXyzRasmol", "zoomEnabled", "zoomHeight", "zoomLarge", "zShade"]); +var iTokens = Clazz.newIntArray (-1, [268435666, -1, -1, -1, -1, -1, -1, 268435568, -1, 268435537, 268435538, 268435859, 268435858, 268435857, 268435856, 268435861, -1, 268435862, 134217759, 1073742336, 1073742337, 268435520, 268435521, 1073742332, 1073742338, 1073742330, 268435634, 1073742339, 268435650, 268435649, 268435651, 268435635, 4097, -1, 4098, 1611272194, 1114249217, 1610616835, 4100, 4101, 1678381065, -1, 102407, 4102, 4103, 1112152066, -1, 102411, 102412, 20488, 12289, -1, 4105, 135174, 1765808134, -1, 134221831, 1094717448, -1, -1, 4106, 528395, 134353926, -1, 102408, 134221834, 102413, 12290, -1, 528397, 12291, 1073741914, 554176526, 135175, -1, 1610625028, 1275069444, 1112150019, 135176, 537022465, 1112150020, -1, 364547, 102402, 102409, 364548, 266255, 134218759, 1228935687, -1, 4114, 134320648, 1287653388, 4115, 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(" + iTokens.length + ")"); System.exit (1); diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/appletjs/JSVApplet.js b/qmpy/web/static/js/jsmol/j2s/JSV/appletjs/JSVApplet.js index be090392..d37739e7 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/appletjs/JSVApplet.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/appletjs/JSVApplet.js @@ -65,10 +65,6 @@ Clazz.overrideMethod (c$, "isSigned", function () { return this.app.isSigned (); }); -Clazz.overrideMethod (c$, "finalize", -function () { -System.out.println ("JSpecView " + this + " finalized"); -}); Clazz.overrideMethod (c$, "destroy", function () { this.app.dispose (); diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/common/Coordinate.js b/qmpy/web/static/js/jsmol/j2s/JSV/common/Coordinate.js index 2ec018c7..e14586c0 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/common/Coordinate.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/common/Coordinate.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JSV.common"); -Clazz.load (["JSV.common.CoordComparator"], "JSV.common.Coordinate", ["java.lang.Double", "java.util.Arrays", "$.StringTokenizer", "JU.DF", "$.Lst"], function () { +Clazz.load (["JSV.common.CoordComparator"], "JSV.common.Coordinate", ["java.lang.Double", "java.util.Arrays", "$.StringTokenizer", "JU.Lst"], function () { c$ = Clazz.decorateAsClass (function () { this.xVal = 0; this.yVal = 0; @@ -22,14 +22,6 @@ Clazz.defineMethod (c$, "getYVal", function () { return this.yVal; }); -Clazz.defineMethod (c$, "getXString", -function () { -return JU.DF.formatDecimalTrimmed (this.xVal, 8); -}); -Clazz.defineMethod (c$, "getYString", -function () { -return JU.DF.formatDecimalTrimmed (this.yVal, 8); -}); Clazz.defineMethod (c$, "setXVal", function (val) { this.xVal = val; @@ -97,8 +89,7 @@ return xyCoords.toArray (coord); }, "~S,~N,~N"); c$.deltaX = Clazz.defineMethod (c$, "deltaX", function (last, first, numPoints) { -var test = (last - first) / (numPoints - 1); -return test; +return (last - first) / (numPoints - 1); }, "~N,~N,~N"); c$.removeScale = Clazz.defineMethod (c$, "removeScale", function (xyCoords, xScale, yScale) { @@ -112,29 +103,6 @@ xyCoords[i].setXVal (xyCoords[i].getXVal () * xScale); xyCoords[i].setYVal (xyCoords[i].getYVal () * yScale); } }}, "~A,~N,~N"); -c$.applyShiftReference = Clazz.defineMethod (c$, "applyShiftReference", -function (xyCoords, dataPointNum, firstX, lastX, offset, observedFreq, shiftRefType) { -if (dataPointNum > xyCoords.length || dataPointNum < 0) return; -var coord; -switch (shiftRefType) { -case 0: -offset = xyCoords[xyCoords.length - dataPointNum].getXVal () - offset * observedFreq; -break; -case 1: -offset = firstX - offset * observedFreq; -break; -case 2: -offset = lastX + offset; -break; -} -for (var index = 0; index < xyCoords.length; index++) { -coord = xyCoords[index]; -coord.setXVal (coord.getXVal () - offset); -xyCoords[index] = coord; -} -firstX -= offset; -lastX -= offset; -}, "~A,~N,~N,~N,~N,~N,~N"); c$.getMinX = Clazz.defineMethod (c$, "getMinX", function (coords, start, end) { var min = 1.7976931348623157E308; diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/common/GraphSet.js b/qmpy/web/static/js/jsmol/j2s/JSV/common/GraphSet.js index 75a85a10..d7d7f04c 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/common/GraphSet.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/common/GraphSet.js @@ -1069,6 +1069,7 @@ if (this.pd.getBoolean (JSV.common.ScriptToken.YSCALEON)) this.drawYScale (gMain if (subIndex >= 0) this.draw2DUnits (gMain); }this.drawWidgets (gFront, g2, subIndex, needNewPins, doDraw1DObjects, true, false); this.drawWidgets (gFront, g2, subIndex, needNewPins, doDraw1DObjects, true, true); +this.widgetsAreSet = true; }if (this.annotations != null) this.drawAnnotations (gFront, this.annotations, null); }, "~O,~O,~O,~N,~B,~B,~B"); Clazz.defineMethod (c$, "drawSpectrumSource", diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/common/IntegralData.js b/qmpy/web/static/js/jsmol/j2s/JSV/common/IntegralData.js index 779bc62f..c8eb8206 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/common/IntegralData.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/common/IntegralData.js @@ -301,7 +301,8 @@ nCount = 0; nCount = 0; y0 = y; }} -if (this.spec.nH > 0) this.factorAllIntegrals (this.spec.nH / this.percentRange, false); +var nH = this.spec.getHydrogenCount (); +if (nH > 0) this.factorAllIntegrals (nH / this.percentRange, false); }); Clazz.defineMethod (c$, "getInfo", function (info) { diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVFileManager.js b/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVFileManager.js index d4c851b0..fe7c2637 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVFileManager.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVFileManager.js @@ -104,7 +104,6 @@ if (Clazz.instanceOf (ret, JU.SB) || Clazz.instanceOf (ret, String)) return new if (JSV.common.JSVFileManager.isAB (ret)) return new java.io.BufferedReader ( new java.io.StringReader ( String.instantialize (ret))); var bis = new java.io.BufferedInputStream (ret); var $in = bis; -if (JSV.common.JSVFileManager.isZipFile (bis)) return (JSV.common.JSViewer.getInterface ("JSV.common.JSVZipUtil")).newJSVZipFileSequentialReader ($in, subFileList, startCode); if (JSV.common.JSVFileManager.isGzip (bis)) $in = (JSV.common.JSViewer.getInterface ("JSV.common.JSVZipUtil")).newGZIPInputStream ($in); return new java.io.BufferedReader ( new java.io.InputStreamReader ($in, "UTF-8")); } catch (e) { @@ -154,9 +153,8 @@ return JSV.common.JSVFileManager.getBufferedReaderForStringOrBytes (data); }, "~S"); c$.isAB = Clazz.defineMethod (c$, "isAB", function (x) { -{ -return Clazz.isAB(x); -}}, "~O"); +return JU.AU.isAB (x); +}, "~O"); c$.isZipFile = Clazz.defineMethod (c$, "isZipFile", function (is) { try { @@ -526,7 +524,7 @@ Clazz.defineStatics (c$, c$.htCorrelationCache = c$.prototype.htCorrelationCache = new java.util.Hashtable (); Clazz.defineStatics (c$, "nciResolver", "https://cactus.nci.nih.gov/chemical/structure/%FILE/file?format=sdf&get3d=True", -"nmrdbServerH1", "http://www.nmrdb.org/tools/jmol/predict.php?POST?molfile=", -"nmrdbServerC13", "http://www.nmrdb.org/service/jsmol13c?POST?molfile=", +"nmrdbServerH1", "https://www.nmrdb.org/tools/jmol/predict.php?POST?molfile=", +"nmrdbServerC13", "https://www.nmrdb.org/service/jsmol13c?POST?molfile=", "stringCount", 0); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVZipFileSequentialReader.js b/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVZipFileSequentialReader.js index d22266ad..dcbe9a3a 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVZipFileSequentialReader.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVZipFileSequentialReader.js @@ -32,7 +32,6 @@ return this; Clazz.overrideMethod (c$, "close", function () { try { -this.close (); this.zis.close (); } catch (e) { if (Clazz.exceptionOf (e, java.io.IOException)) { diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVersion.js b/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVersion.js index 2f8a7055..66c822e4 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVersion.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/common/JSVersion.js @@ -1,20 +1,54 @@ -Jmol.___JSVDate="$Date: 2019-04-26 13:58:53 -0500 (Fri, 26 Apr 2019) $" -Jmol.___JSVSvnRev="$LastChangedRevision: 21963 $" -Jmol.___JSVVersion="14.2.8" Clazz.declarePackage ("JSV.common"); c$ = Clazz.declareType (JSV.common, "JSVersion"); Clazz.defineStatics (c$, +"VERSION_SHORT", null, "VERSION", null, -"VERSION_SHORT", null); +"date", null, +"versionInt", 0, +"majorVersion", null); { var tmpVersion = null; var tmpDate = null; -var tmpSVN = null; { -tmpVersion = Jmol.___JSVVersion; tmpDate = Jmol.___JSVDate; -tmpSVN = Jmol.___JSVSvnRev; -}if (tmpDate != null) tmpDate = tmpDate.substring (7, 23); -tmpSVN = (tmpSVN == null ? "" : "/SVN" + tmpSVN.substring (22, 27)); -JSV.common.JSVersion.VERSION_SHORT = (tmpVersion != null ? tmpVersion : "(Unknown version)"); -JSV.common.JSVersion.VERSION = JSV.common.JSVersion.VERSION_SHORT + tmpSVN + "/" + (tmpDate != null ? tmpDate : "(Unknown date)"); +tmpVersion = Jmol.___JmolVersion; tmpDate = Jmol.___JmolDate; +}if (tmpDate != null) { +tmpDate = tmpDate.substring (7, 23); +}JSV.common.JSVersion.VERSION_SHORT = (tmpVersion != null ? tmpVersion : "(Unknown_version)"); +var mv = (tmpVersion != null ? tmpVersion : "(Unknown_version)"); +JSV.common.JSVersion.date = (tmpDate != null ? tmpDate : ""); +JSV.common.JSVersion.VERSION = JSV.common.JSVersion.VERSION_SHORT + (JSV.common.JSVersion.date == null ? "" : " " + JSV.common.JSVersion.date); +var v = -1; +if (tmpVersion != null) try { +var s = JSV.common.JSVersion.VERSION_SHORT; +var major = ""; +var i = s.indexOf ("."); +if (i < 0) { +v = 100000 * Integer.parseInt (s); +s = null; +}if (s != null) { +v = 100000 * Integer.parseInt (major = s.substring (0, i)); +s = s.substring (i + 1); +i = s.indexOf ("."); +if (i < 0) { +v += 1000 * Integer.parseInt (s); +s = null; +}if (s != null) { +var m = s.substring (0, i); +major += "." + m; +mv = major; +v += 1000 * Integer.parseInt (m); +s = s.substring (i + 1); +i = s.indexOf ("_"); +if (i >= 0) s = s.substring (0, i); +i = s.indexOf (" "); +if (i >= 0) s = s.substring (0, i); +v += Integer.parseInt (s); +}}} catch (e) { +if (Clazz.exceptionOf (e, NumberFormatException)) { +} else { +throw e; +} +} +JSV.common.JSVersion.majorVersion = mv; +JSV.common.JSVersion.versionInt = v; } \ No newline at end of file diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/common/JSViewer.js b/qmpy/web/static/js/jsmol/j2s/JSV/common/JSViewer.js index 5a77ba47..188e7be7 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/common/JSViewer.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/common/JSViewer.js @@ -960,7 +960,8 @@ var isView = false; if (strUrl != null && strUrl.startsWith ("cache://")) { { data = Jmol.Cache.get(name = strUrl); -}}if (data != null) { +}}var file = null; +if (data != null) { try { fileName = name; newPath = filePath = JSV.common.JSVFileManager.getFullPathName (name); @@ -975,13 +976,13 @@ isView = true; newPath = fileName = filePath = "View" + (++this.nViews); } else if (strUrl != null) { try { +file = this.apiPlatform.newFile (strUrl); var u = new java.net.URL (JSV.common.JSVFileManager.appletDocumentBase, strUrl, null); filePath = u.toString (); this.recentURL = filePath; fileName = JSV.common.JSVFileManager.getTagName (filePath); } catch (e) { if (Clazz.exceptionOf (e, java.net.MalformedURLException)) { -var file = this.apiPlatform.newFile (strUrl); fileName = file.getName (); newPath = filePath = file.getFullPath (); this.recentURL = null; @@ -1000,7 +1001,7 @@ this.si.writeStatus (filePath + " is already open"); }if (!isAppend && !isView) this.close ("all"); this.si.setCursor (3); try { -this.si.siSetCurrentSource (isView ? JSV.source.JDXSource.createView (specs) : JSV.source.JDXReader.createJDXSource (data, filePath, this.obscureTitleFromUser === Boolean.TRUE, this.loadImaginary, firstSpec, lastSpec, this.nmrMaxY)); +this.si.siSetCurrentSource (isView ? JSV.source.JDXSource.createView (specs) : JSV.source.JDXReader.createJDXSource (file, data, filePath, this.obscureTitleFromUser === Boolean.TRUE, this.loadImaginary, firstSpec, lastSpec, this.nmrMaxY)); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { { diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/common/MeasurementData.js b/qmpy/web/static/js/jsmol/j2s/JSV/common/MeasurementData.js index f0f16f47..efa32b82 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/common/MeasurementData.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/common/MeasurementData.js @@ -61,7 +61,7 @@ var toHz = this.spec.isNMR () && units.equalsIgnoreCase ("HZ"); var data = JU.AU.newDouble2 (this.size ()); for (var pt = 0, i = this.size (); --i >= 0; ) { var y = this.get (i).getValue (); -if (toHz) y *= this.spec.observedFreq; +if (toHz) y *= this.spec.getObservedFreq (); data[pt++] = Clazz.newDoubleArray (-1, [this.get (i).getXVal (), this.get (i).getXVal2 (), y]); } return data; diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/common/Spectrum.js b/qmpy/web/static/js/jsmol/j2s/JSV/common/Spectrum.js index 8c72d421..c673cfa7 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/common/Spectrum.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/common/Spectrum.js @@ -1,29 +1,26 @@ Clazz.declarePackage ("JSV.common"); Clazz.load (["java.lang.Enum", "JSV.source.JDXDataObject", "JU.Lst"], "JSV.common.Spectrum", ["java.lang.Boolean", "$.Double", "java.util.Hashtable", "JU.PT", "JSV.common.Coordinate", "$.Parameters", "$.PeakInfo", "JSV.source.JDXSourceStreamTokenizer", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { +this.id = ""; +this.fillColor = null; this.subSpectra = null; this.peakList = null; -this.piUnitsX = null; -this.piUnitsY = null; +this.peakXLabel = null; +this.peakYLabel = null; this.selectedPeak = null; this.highlightedPeak = null; +this.convertedSpectrum = null; this.specShift = 0; +this.userYFactor = 1; this.currentSubSpectrumIndex = 0; this.$isForcedSubset = false; -this.id = ""; -this.convertedSpectrum = null; -this.userYFactor = 1; this.exportXAxisLeftToRight = false; -this.fillColor = null; +this.titleLabel = null; Clazz.instantialize (this, arguments); }, JSV.common, "Spectrum", JSV.source.JDXDataObject); Clazz.prepareFields (c$, function () { this.peakList = new JU.Lst (); }); -Clazz.overrideMethod (c$, "finalize", -function () { -System.out.println ("JDXSpectrum " + this + " finalized " + this.title); -}); Clazz.defineMethod (c$, "dispose", function () { }); @@ -46,7 +43,7 @@ Clazz.defineMethod (c$, "copy", function () { var newSpectrum = new JSV.common.Spectrum (); this.copyTo (newSpectrum); -newSpectrum.setPeakList (this.peakList, this.piUnitsX, null); +newSpectrum.setPeakList (this.peakList, this.peakXLabel, null); newSpectrum.fillColor = this.fillColor; return newSpectrum; }); @@ -59,10 +56,10 @@ function () { return this.peakList; }); Clazz.defineMethod (c$, "setPeakList", -function (list, piUnitsX, piUnitsY) { +function (list, peakXLabel, peakYLabel) { this.peakList = list; -this.piUnitsX = piUnitsX; -this.piUnitsY = piUnitsY; +this.peakXLabel = peakXLabel; +this.peakYLabel = peakYLabel; for (var i = list.size (); --i >= 0; ) this.peakList.get (i).spectrum = this; if (JU.Logger.debugging) JU.Logger.info ("Spectrum " + this.getTitle () + " peaks: " + list.size ()); @@ -135,13 +132,14 @@ return (this.selectedPeak != null ? this.selectedPeak.getTitle () : this.highlig }); Clazz.defineMethod (c$, "getTitleLabel", function () { +if (this.titleLabel != null) return this.titleLabel; var type = (this.peakList == null || this.peakList.size () == 0 ? this.getQualifiedDataType () : this.peakList.get (0).getType ()); if (type != null && type.startsWith ("NMR")) { if (this.nucleusY != null && !this.nucleusY.equals ("?")) { type = "2D" + type; } else { -type = this.nucleusX + type; -}}return (type != null && type.length > 0 ? type + " " : "") + this.getTitle (); +type = JSV.source.JDXDataObject.getNominalSpecFreq (this.nucleusX, this.getObservedFreq ()) + " MHz " + this.nucleusX + " " + type; +}}return this.titleLabel = (type != null && type.length > 0 ? type + " " : "") + this.getTitle (); }); Clazz.defineMethod (c$, "setNextPeak", function (coord, istep) { @@ -283,7 +281,7 @@ return (this.currentSubSpectrumIndex = JSV.common.Coordinate.intoRange (n, 0, th }, "~N"); Clazz.defineMethod (c$, "addSubSpectrum", function (spectrum, forceSub) { -if (!forceSub && (this.numDim < 2 || this.blockID != spectrum.blockID) || !JSV.common.Spectrum.allowSubSpec (this, spectrum)) return false; +if (!forceSub && (this.is1D () || this.blockID != spectrum.blockID) || !JSV.common.Spectrum.allowSubSpec (this, spectrum)) return false; this.$isForcedSubset = forceSub; if (this.subSpectra == null) { this.subSpectra = new JU.Lst (); @@ -347,7 +345,7 @@ keys += " titleLabel type isHZToPPM subSpectrumCount"; } else { JSV.common.Parameters.putInfo (key, info, "titleLabel", this.getTitleLabel ()); JSV.common.Parameters.putInfo (key, info, "type", this.getDataType ()); -JSV.common.Parameters.putInfo (key, info, "isHZToPPM", Boolean.$valueOf (this.$isHZtoPPM)); +JSV.common.Parameters.putInfo (key, info, "isHZToPPM", Boolean.$valueOf (this.isHZtoPPM ())); JSV.common.Parameters.putInfo (key, info, "subSpectrumCount", Integer.$valueOf (this.subSpectra == null ? 0 : this.subSpectra.size ())); }}if (keys != null) info.put ("KEYS", keys); return info; @@ -372,10 +370,6 @@ throw e; } return info; }, "~S"); -Clazz.overrideMethod (c$, "toString", -function () { -return this.getTitleLabel (); -}); Clazz.defineMethod (c$, "findMatchingPeakInfo", function (pi) { for (var i = 0; i < this.peakList.size (); i++) if (this.peakList.get (i).checkTypeMatch (pi)) return this.peakList.get (i); @@ -388,10 +382,10 @@ return (this.peakList.size () == 0 ? new JSV.common.PeakInfo () : new JSV.comm }); Clazz.defineMethod (c$, "getAxisLabel", function (isX) { -var units = (isX ? this.piUnitsX : this.piUnitsY); -if (units == null) units = (isX ? this.xLabel : this.yLabel); -if (units == null) units = (isX ? this.xUnits : this.yUnits); -return (units == null ? "" : units.equalsIgnoreCase ("WAVENUMBERS") ? "1/cm" : units.equalsIgnoreCase ("nanometers") ? "nm" : units); +var label = (isX ? this.peakXLabel : this.peakYLabel); +if (label == null) label = (isX ? this.xLabel : this.yLabel); +if (label == null) label = (isX ? this.xUnits : this.yUnits); +return (label == null ? "" : label.equalsIgnoreCase ("WAVENUMBERS") ? "1/cm" : label.equalsIgnoreCase ("nanometers") ? "nm" : label); }, "~B"); Clazz.defineMethod (c$, "findXForPeakNearest", function (x) { @@ -439,10 +433,6 @@ c$.areLinkableY = Clazz.defineMethod (c$, "areLinkableY", function (s1, s2) { return (s1.isNMR () && s2.isNMR () && s1.nucleusX.equals (s2.nucleusY)); }, "JSV.common.Spectrum,JSV.common.Spectrum"); -Clazz.defineMethod (c$, "setNHydrogens", -function (nH) { -this.nH = nH; -}, "~N"); Clazz.defineMethod (c$, "getPeakWidth", function () { var w = this.getLastX () - this.getFirstX (); @@ -461,6 +451,10 @@ function (color) { this.fillColor = color; if (this.convertedSpectrum != null) this.convertedSpectrum.fillColor = color; }, "javajs.api.GenericColor"); +Clazz.overrideMethod (c$, "toString", +function () { +return this.getTitleLabel () + (this.xyCoords == null ? "" : " xyCoords.length=" + this.xyCoords.length); +}); Clazz.pu$h(self.c$); c$ = Clazz.declareType (JSV.common.Spectrum, "IRMode", Enum); c$.getMode = Clazz.defineMethod (c$, "getMode", diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/common/Visible.js b/qmpy/web/static/js/jsmol/j2s/JSV/common/Visible.js index 61c4dea9..8cec0a84 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/common/Visible.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/common/Visible.js @@ -33,7 +33,7 @@ var zb; for (var i = xyCoords.length; --i >= 0; ) { var x = xyCoords[i].getXVal (); if (x < 400 || x > 700) continue; -cie = JSV.common.Visible.gauss (85.7145, 2.05719E-5, x - 607.263) + JSV.common.Visible.gauss (57.7256, 0.000126451, x - 457.096); +cie = JSV.common.Visible.gauss (15.2438, 4.99542E-03, x - 412.281) + JSV.common.Visible.gauss (92.747, 1.12996E-05, x - 540.046) + JSV.common.Visible.gauss (13.8872, 5.16966E-04, x - 525.74) + JSV.common.Visible.gauss (16.7377, 5.55018E-03, x - 448.038) + JSV.common.Visible.gauss (23.9973, 1.28306E-03, x - 469.107) + JSV.common.Visible.gauss (5.68614, 1.03616E-02, x - 672.024); xb = JSV.common.Visible.gauss (1.06561, 0.000500819, x - 598.623) + JSV.common.Visible.gauss (0.283831, 0.00292745, x - 435.734) + JSV.common.Visible.gauss (0.113771, 0.00192849, x - 549.271) + JSV.common.Visible.gauss (0.239103, 0.00255944, x - 460.547); yb = JSV.common.Visible.gauss (0.239617, 0.00117296, x - 530.517) + JSV.common.Visible.gauss (0.910377, 0.000300984, x - 565.635) + JSV.common.Visible.gauss (0.0311013, 0.00152386, x - 463.833); zb = JSV.common.Visible.gauss (0.988366, 0.00220336, x - 456.345) + JSV.common.Visible.gauss (0.381551, 0.000848554, x - 450.871) + JSV.common.Visible.gauss (0.355693, 0.000628546, x - 470.668) + JSV.common.Visible.gauss (0.81862, 0.00471059, x - 433.144); diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/export/Exporter.js b/qmpy/web/static/js/jsmol/j2s/JSV/export/Exporter.js index 587d0c7d..7d906b57 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/export/Exporter.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/export/Exporter.js @@ -37,6 +37,7 @@ out = viewer.getOutputChannel (file.getFullPath (), false); var msg = this.exportSpectrumOrImage (viewer, eType, index, out); var isOK = msg.startsWith ("OK"); if (isOK) viewer.si.siUpdateRecentMenus (file.getFullPath ()); +out.closeChannel (); return msg; } case 2: diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/export/FormContext.js b/qmpy/web/static/js/jsmol/j2s/JSV/export/FormContext.js index 93a3c1c7..993b1309 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/export/FormContext.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/export/FormContext.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JSV.export"); -Clazz.load (["java.util.Hashtable", "JU.Lst"], "JSV.export.FormContext", ["java.lang.Character", "$.Double", "java.util.Map", "JU.PT", "JSV.common.Coordinate", "JU.Logger"], function () { +Clazz.load (["java.util.Hashtable", "JU.Lst"], "JSV.export.FormContext", ["java.lang.Character", "$.Double", "java.util.Map", "JU.DF", "$.PT", "JSV.common.Coordinate", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.tokens = null; this.context = null; @@ -106,8 +106,8 @@ var c = varData; this.context.put ("pointCount", new Integer (vt.pointCount)); this.context.put (vt.$var + ".xVal", new Double (c.getXVal ())); this.context.put (vt.$var + ".yVal", new Double (c.getYVal ())); -this.context.put (vt.$var + ".getXString()", c.getXString ()); -this.context.put (vt.$var + ".getYString()", c.getYString ()); +this.context.put (vt.$var + ".getXString()", this.getXString (c)); +this.context.put (vt.$var + ".getYString()", this.getYString (c)); } else if (Clazz.instanceOf (varData, java.util.Map)) { for (var entry, $entry = (varData).entrySet ().iterator (); $entry.hasNext () && ((entry = $entry.next ()) || true);) this.context.put (vt.$var + "." + entry.getKey (), entry.getValue ()); @@ -117,6 +117,14 @@ continue; } return (this.strError != null ? this.strError : out != null ? out.toString () : null); }, "JU.OC"); +Clazz.defineMethod (c$, "getXString", +function (c) { +return JU.DF.formatDecimalTrimmed0 (c.getXVal (), 8); +}, "JSV.common.Coordinate"); +Clazz.defineMethod (c$, "getYString", +function (c) { +return JU.DF.formatDecimalTrimmed0 (c.getYVal (), 8); +}, "JSV.common.Coordinate"); Clazz.defineMethod (c$, "foreach", function (vt) { var data = vt.data; diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/export/JDXExporter.js b/qmpy/web/static/js/jsmol/j2s/JSV/export/JDXExporter.js index 5b149b34..79b17a3b 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/export/JDXExporter.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/export/JDXExporter.js @@ -110,9 +110,10 @@ var nl = (dataSet.startsWith ("<") && dataSet.contains (" - - - $ObFreq - - - - - - - -#if($model !="") - $model -#end - - $ObFreq - - $ObNucleus - - - -#if($molform !="") - -#end -#if($CASrn !="") - $CASrn -#end - - -#if($continuous) - - - - - - -#foreach ($coord in $xyCoords)$coord.getYString() #end - - - -#end -#if (!$continuous) - -#foreach ($coord in $xyCoords)#end - -#end - - - - + + + + $ObFreq + + + + + + + +#if($model !="") + $model +#end + + $ObFreq + + $ObNucleus + + + +#if($molform !="") + +#end +#if($CASrn !="") + $CASrn +#end + + +#if($continuous) + + + + + + +#foreach ($coord in $xyCoords)$coord.getYString() #end + + + +#end +#if (!$continuous) + +#foreach ($coord in $xyCoords)#end + +#end + + + + diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/cml_tmp.vm b/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/cml_tmp.vm index 4bdee25b..b18cc29c 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/cml_tmp.vm +++ b/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/cml_tmp.vm @@ -1,57 +1,57 @@ - - - - - - - - $model -#if($resolution !="") - - $resolution - -#end - - - -#if($molform !="") - -#end -#if($CASrn !="") - $CASrn -#end - - -#if($continuous) - - - - - - -#foreach ($coord in $xyCoords)$coord.getYString() #end - - - -#end -#if (!$continuous) - -#foreach ($coord in $xyCoords)#end - -#end - - + + + + + + + + $model +#if($resolution !="") + + $resolution + +#end + + + +#if($molform !="") + +#end +#if($CASrn !="") + $CASrn +#end + + +#if($continuous) + + + + + + +#foreach ($coord in $xyCoords)$coord.getYString() #end + + + +#end +#if (!$continuous) + +#foreach ($coord in $xyCoords)#end + +#end + + diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/plot.vm b/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/plot.vm index ce0ed1e4..cf32773c 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/plot.vm +++ b/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/plot.vm @@ -1,233 +1,240 @@ - - - - - - - - - - -$title - - - -Toggle Grid -Toggle Background -Toggle Coordinates -Reverse Plot - - - - - - - - - -#foreach ($item in $xScaleList) - $item.number -#end - - - -#foreach ($item in $yScaleList) - $item.number -#end - - - - -$xUnits -$yUnits - - - -#if($continuous) - #if($overlaid) - #foreach ($coordList in $xyCoords) - - #end - #else - - #end -#else - #if($overlaid) - #foreach ($coordList in $xyCoords) - - #end - #else - - - #end -#end - - - + + + + + + + + + + + + + + + + +$title + + + +Toggle Grid +Toggle Background +Toggle Coordinates +Reverse Plot + + + + + + + + + +#foreach ($item in $xScaleList) + $item.number +#end + + + +#foreach ($item in $yScaleList) + $item.number +#end + + + + +$xUnits +$yUnits + + + +#if($continuous) + #if($overlaid) + #foreach ($coordList in $xyCoords) + + #end + #else + + #end +#else + #if($overlaid) + #foreach ($coordList in $xyCoords) + + #end + #else + + + #end +#end + + + diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/plot_ink.vm b/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/plot_ink.vm index 1db02657..cece136f 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/plot_ink.vm +++ b/qmpy/web/static/js/jsmol/j2s/JSV/export/resources/plot_ink.vm @@ -1,103 +1,103 @@ - - - version="1.1"image/svg+xml - - - - - -#if($continuous) - #if($overlaid) - #foreach ($coordList in $xyCoords) - - #end - #else - - #end -#else - #if($overlaid) - #foreach ($coordList in $xyCoords) - - #end - #else - - #end -#end - - + + + version="1.1"image/svg+xml + + + + + +#if($continuous) + #if($overlaid) + #foreach ($coordList in $xyCoords) + + #end + #else + + #end +#else + #if($overlaid) + #foreach ($coordList in $xyCoords) + + #end + #else + + #end +#end + + diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/js2d/JsPanel.js b/qmpy/web/static/js/jsmol/j2s/JSV/js2d/JsPanel.js index 5e80526b..8b5611fe 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/js2d/JsPanel.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/js2d/JsPanel.js @@ -9,10 +9,6 @@ this.name = null; this.bgcolor = null; Clazz.instantialize (this, arguments); }, JSV.js2d, "JsPanel", null, JSV.api.JSVPanel); -Clazz.overrideMethod (c$, "finalize", -function () { -JU.Logger.info ("JSVPanel " + this + " finalized"); -}); Clazz.overrideMethod (c$, "getApiPlatform", function () { return this.apiPlatform; diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/js2d/JsPlatform.js b/qmpy/web/static/js/jsmol/j2s/JSV/js2d/JsPlatform.js index c3840824..479e1186 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/js2d/JsPlatform.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/js2d/JsPlatform.js @@ -226,4 +226,15 @@ Clazz.overrideMethod (c$, "forceAsyncLoad", function (filename) { return false; }, "~S"); +Clazz.overrideMethod (c$, "getInChI", +function () { +return null; +}); +Clazz.overrideMethod (c$, "confirm", +function (msg, msgNo) { +var ok = false; +if (ok) return 0; +if (msgNo != null) ok = false; +return (ok ? 1 : 2); +}, "~S,~S"); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/popup/JSVPopupResourceBundle.js b/qmpy/web/static/js/jsmol/j2s/JSV/popup/JSVPopupResourceBundle.js index 51199411..b75a9308 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/popup/JSVPopupResourceBundle.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/popup/JSVPopupResourceBundle.js @@ -24,6 +24,6 @@ function (title) { return this.getStuctureAsText (title, JSV.popup.JSVPopupResourceBundle.menuContents, JSV.popup.JSVPopupResourceBundle.structureContents); }, "~S"); Clazz.defineStatics (c$, -"menuContents", Clazz.newArray (-1, [ Clazz.newArray (-1, ["appMenu", "_SIGNED_FileMenu Spectra... ShowMenu OptionsMenu ZoomMenu - Integration Peaks Measurements - Script... Properties"]), Clazz.newArray (-1, ["appletMenu", "_SIGNED_FileMenu Spectra... - OptionsMenu ZoomMenu - Integration Peaks Measurements - Script... - Print... - AboutMenu"]), Clazz.newArray (-1, ["_SIGNED_FileMenu", "Open_File... Open_Simulation... Open_URL... - Add_File... Add_Simulation... Add_URL... - Save_AsMenu Export_AsMenu - Close_Views Close_Simulations Close_All"]), Clazz.newArray (-1, ["Save_AsMenu", "Original... JDXMenu CML XML(AnIML)"]), Clazz.newArray (-1, ["JDXMenu", "XY DIF DIFDUP FIX PAC SQZ"]), Clazz.newArray (-1, ["Export_AsMenu", "PDF - JAVAJPG PNG"]), Clazz.newArray (-1, ["ShowMenu", "Show_Header Show_Source Show_Overlay_Key"]), Clazz.newArray (-1, ["OptionsMenu", "Toggle_Grid Toggle_X_Axis Toggle_Y_Axis Toggle_Coordinates Toggle_Trans/Abs Reverse_Plot Points_Only - Predicted_Solution_Colour Fill_Solution_Colour_(all) Fill_Solution_Colour_(none)"]), Clazz.newArray (-1, ["ZoomMenu", "Next_Zoom Previous_Zoom Reset_Zoom - Set_X_Scale... Reset_X_Scale"]), Clazz.newArray (-1, ["AboutMenu", "VERSION"])]), -"structureContents", Clazz.newArray (-1, [ Clazz.newArray (-1, ["Open_File...", "load ?"]), Clazz.newArray (-1, ["Open_URL...", "load http://?"]), Clazz.newArray (-1, ["Open_Simulation...", "load $?"]), Clazz.newArray (-1, ["Add_File...", "load append ?"]), Clazz.newArray (-1, ["Add_URL...", "load append http://?"]), Clazz.newArray (-1, ["Add_Simulation...", "load append $?; view \"1HNMR\""]), Clazz.newArray (-1, ["Close_All", "close all"]), Clazz.newArray (-1, ["Close_Views", "close views"]), Clazz.newArray (-1, ["Close Simulations", "close simulations"]), Clazz.newArray (-1, ["Show_Header", "showProperties"]), Clazz.newArray (-1, ["Show_Source", "showSource"]), Clazz.newArray (-1, ["Show_Overlay_Key...", "showKey"]), Clazz.newArray (-1, ["Next_Zoom", "zoom next;showMenu"]), Clazz.newArray (-1, ["Previous_Zoom", "zoom prev;showMenu"]), Clazz.newArray (-1, ["Reset_Zoom", "zoom clear"]), Clazz.newArray (-1, ["Reset_X_Scale", "zoom out"]), Clazz.newArray (-1, ["Set_X_Scale...", "zoom"]), Clazz.newArray (-1, ["Spectra...", "view"]), Clazz.newArray (-1, ["Overlay_Offset...", "stackOffsetY"]), Clazz.newArray (-1, ["Script...", "script INLINE"]), Clazz.newArray (-1, ["Properties", "showProperties"]), Clazz.newArray (-1, ["Toggle_X_Axis", "XSCALEON toggle;showMenu"]), Clazz.newArray (-1, ["Toggle_Y_Axis", "YSCALEON toggle;showMenu"]), Clazz.newArray (-1, ["Toggle_Grid", "GRIDON toggle;showMenu"]), Clazz.newArray (-1, ["Toggle_Coordinates", "COORDINATESON toggle;showMenu"]), Clazz.newArray (-1, ["Reverse_Plot", "REVERSEPLOT toggle;showMenu"]), Clazz.newArray (-1, ["Points_Only", "POINTSONLY toggle;showMenu"]), Clazz.newArray (-1, ["Measurements", "SHOWMEASUREMENTS"]), Clazz.newArray (-1, ["Peaks", "SHOWPEAKLIST"]), Clazz.newArray (-1, ["Integration", "SHOWINTEGRATION"]), Clazz.newArray (-1, ["Toggle_Trans/Abs", "IRMODE TOGGLE"]), Clazz.newArray (-1, ["Predicted_Solution_Colour", "GETSOLUTIONCOLOR"]), Clazz.newArray (-1, ["Fill_Solution_Colour_(all)", "GETSOLUTIONCOLOR fillall"]), Clazz.newArray (-1, ["Fill_Solution_Colour_(none)", "GETSOLUTIONCOLOR fillallnone"]), Clazz.newArray (-1, ["Print...", "print"]), Clazz.newArray (-1, ["Original...", "write SOURCE"]), Clazz.newArray (-1, ["CML", "write CML"]), Clazz.newArray (-1, ["XML(AnIML)", "write XML"]), Clazz.newArray (-1, ["XY", "write XY"]), Clazz.newArray (-1, ["DIF", "write DIF"]), Clazz.newArray (-1, ["DIFDUP", "write DIFDUP"]), Clazz.newArray (-1, ["FIX", "write FIX"]), Clazz.newArray (-1, ["PAC", "write PAC"]), Clazz.newArray (-1, ["SQZ", "write SQZ"]), Clazz.newArray (-1, ["JPG", "write JPG"]), Clazz.newArray (-1, ["SVG", "write SVG"]), Clazz.newArray (-1, ["PNG", "write PNG"]), Clazz.newArray (-1, ["PDF", "write PDF"])])); +"menuContents", Clazz.newArray (-1, [ Clazz.newArray (-1, ["appMenu", "_SIGNED_FileMenu Spectra... ShowMenu OptionsMenu ZoomMenu - Integration Peaks Measurements - Script... Properties"]), Clazz.newArray (-1, ["appletMenu", "_SIGNED_FileMenu Spectra... - OptionsMenu ZoomMenu - Integration Peaks Measurements - Script... - Print... - AboutMenu"]), Clazz.newArray (-1, ["_SIGNED_FileMenu", "Open_File... Open_Simulation... Open_URL... - Add_File... Add_Simulation... Add_URL... - Save_AsMenu Export_AsMenu - Close_Views Close_Simulations Close_All"]), Clazz.newArray (-1, ["Save_AsMenu", "Original... JDXMenu CML XML(AnIML)"]), Clazz.newArray (-1, ["JDXMenu", "XY DIF DIFDUP FIX PAC SQZ"]), Clazz.newArray (-1, ["Export_AsMenu", "PDF - JPG PNG SVG"]), Clazz.newArray (-1, ["ShowMenu", "Show_Header Show_Source Show_Overlay_Key"]), Clazz.newArray (-1, ["OptionsMenu", "Toggle_Grid Toggle_X_Axis Toggle_Y_Axis Toggle_Coordinates Toggle_Trans/Abs Reverse_Plot - Predicted_Solution_Colour Fill_Solution_Colour_(all) Fill_Solution_Colour_(none)"]), Clazz.newArray (-1, ["ZoomMenu", "Next_Zoom Previous_Zoom Reset_Zoom - Set_X_Scale... Reset_X_Scale"]), Clazz.newArray (-1, ["AboutMenu", "VERSION"])]), +"structureContents", Clazz.newArray (-1, [ Clazz.newArray (-1, ["Open_File...", "load ?"]), Clazz.newArray (-1, ["Open_URL...", "load http://?"]), Clazz.newArray (-1, ["Open_Simulation...", "load $?"]), Clazz.newArray (-1, ["Add_File...", "load append ?"]), Clazz.newArray (-1, ["Add_URL...", "load append http://?"]), Clazz.newArray (-1, ["Add_Simulation...", "load append $?; view \"1HNMR\""]), Clazz.newArray (-1, ["Close_All", "close all"]), Clazz.newArray (-1, ["Close_Views", "close views"]), Clazz.newArray (-1, ["Close Simulations", "close simulations"]), Clazz.newArray (-1, ["Show_Header", "showProperties"]), Clazz.newArray (-1, ["Show_Source", "showSource"]), Clazz.newArray (-1, ["Show_Overlay_Key...", "showKey"]), Clazz.newArray (-1, ["Next_Zoom", "zoom next;showMenu"]), Clazz.newArray (-1, ["Previous_Zoom", "zoom prev;showMenu"]), Clazz.newArray (-1, ["Reset_Zoom", "zoom clear"]), Clazz.newArray (-1, ["Reset_X_Scale", "zoom out"]), Clazz.newArray (-1, ["Set_X_Scale...", "zoom"]), Clazz.newArray (-1, ["Spectra...", "view"]), Clazz.newArray (-1, ["Overlay_Offset...", "stackOffsetY"]), Clazz.newArray (-1, ["Script...", "script INLINE"]), Clazz.newArray (-1, ["Properties", "showProperties"]), Clazz.newArray (-1, ["Toggle_X_Axis", "XSCALEON toggle;showMenu"]), Clazz.newArray (-1, ["Toggle_Y_Axis", "YSCALEON toggle;showMenu"]), Clazz.newArray (-1, ["Toggle_Grid", "GRIDON toggle;showMenu"]), Clazz.newArray (-1, ["Toggle_Coordinates", "COORDINATESON toggle;showMenu"]), Clazz.newArray (-1, ["Reverse_Plot", "REVERSEPLOT toggle;showMenu"]), Clazz.newArray (-1, ["Measurements", "SHOWMEASUREMENTS"]), Clazz.newArray (-1, ["Peaks", "SHOWPEAKLIST"]), Clazz.newArray (-1, ["Integration", "SHOWINTEGRATION"]), Clazz.newArray (-1, ["Toggle_Trans/Abs", "IRMODE TOGGLE"]), Clazz.newArray (-1, ["Predicted_Solution_Colour", "GETSOLUTIONCOLOR"]), Clazz.newArray (-1, ["Fill_Solution_Colour_(all)", "GETSOLUTIONCOLOR fillall"]), Clazz.newArray (-1, ["Fill_Solution_Colour_(none)", "GETSOLUTIONCOLOR fillallnone"]), Clazz.newArray (-1, ["Print...", "print"]), Clazz.newArray (-1, ["Original...", "write SOURCE"]), Clazz.newArray (-1, ["CML", "write CML"]), Clazz.newArray (-1, ["XML(AnIML)", "write XML"]), Clazz.newArray (-1, ["XY", "write XY"]), Clazz.newArray (-1, ["DIF", "write DIF"]), Clazz.newArray (-1, ["DIFDUP", "write DIFDUP"]), Clazz.newArray (-1, ["FIX", "write FIX"]), Clazz.newArray (-1, ["PAC", "write PAC"]), Clazz.newArray (-1, ["SQZ", "write SQZ"]), Clazz.newArray (-1, ["JPG", "write JPG"]), Clazz.newArray (-1, ["SVG", "write SVG"]), Clazz.newArray (-1, ["PNG", "write PNG"]), Clazz.newArray (-1, ["PDF", "write PDF"])])); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/source/BrukerReader.js b/qmpy/web/static/js/jsmol/j2s/JSV/source/BrukerReader.js new file mode 100644 index 00000000..d95dbeee --- /dev/null +++ b/qmpy/web/static/js/jsmol/j2s/JSV/source/BrukerReader.js @@ -0,0 +1,258 @@ +Clazz.declarePackage ("JSV.source"); +Clazz.load (null, "JSV.source.BrukerReader", ["java.io.BufferedInputStream", "$.ByteArrayInputStream", "$.File", "$.FileInputStream", "java.lang.Double", "java.util.Hashtable", "java.util.zip.ZipInputStream", "JU.BinaryDocument", "$.Lst", "JSV.common.Coordinate", "$.Spectrum", "JSV.source.JDXReader", "$.JDXSource"], function () { +c$ = Clazz.decorateAsClass (function () { +this.allowPhasing = false; +Clazz.instantialize (this, arguments); +}, JSV.source, "BrukerReader"); +Clazz.makeConstructor (c$, +function () { +}); +Clazz.defineMethod (c$, "readBrukerZip", +function (bytes, fullPath) { +try { +var zis = new java.util.zip.ZipInputStream (bytes == null ? new java.io.FileInputStream (fullPath) : new java.io.ByteArrayInputStream (bytes)); +var ze; +var map = new java.util.Hashtable (); +var data1r = Clazz.newByteArray (0, 0); +var data1i = Clazz.newByteArray (0, 0); +var data2rr = Clazz.newByteArray (0, 0); +var root = null; +var title = null; +out : while ((ze = zis.getNextEntry ()) != null) { +var zeName = ze.getName (); +var pt = zeName.lastIndexOf ('/'); +var zeShortName = zeName.substring (pt + 1); +if (root == null) { +root = zeName.substring (0, pt + 1); +pt = root.indexOf ("/pdata/"); +if (pt >= 0) root = root.substring (0, pt + 1); +}if (!zeName.startsWith (root)) break out; +var isacq = false; +if (zeShortName.equals ("title")) { +title = String.instantialize (this.getBytes (zis, ze.getSize (), false)); +map.put ("##title", title); +} else if (zeShortName.equals ("1r")) { +data1r = this.getBytes (zis, ze.getSize (), false); +} else if (zeShortName.equals ("1i")) { +if (this.allowPhasing) data1i = this.getBytes (zis, ze.getSize (), false); +} else if (zeShortName.equals ("2rr")) { +data2rr = this.getBytes (zis, ze.getSize (), false); +} else if (zeShortName.equals ("proc2s") || zeShortName.equals ("acqu2s")) { +JSV.source.JDXReader.getHeaderMapS ( new java.io.ByteArrayInputStream (this.getBytes (zis, ze.getSize (), false)), map, "_2"); +} else if (zeShortName.equals ("procs") || (isacq = zeShortName.equals ("acqus"))) { +if (isacq) { +root = zeName.substring (0, pt + 1); +}JSV.source.JDXReader.getHeaderMap ( new java.io.ByteArrayInputStream (this.getBytes (zis, ze.getSize (), false)), map); +}} +zis.close (); +map.put ("##TITLE", (title == null ? "" : title)); +return this.getSource (fullPath, map, data1r, data1i, data2rr); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +return null; +} else { +throw e; +} +} +}, "~A,~S"); +Clazz.defineMethod (c$, "readBrukerDir", +function (fullPath) { +var dir = new java.io.File (fullPath); +if (!dir.isDirectory ()) { +dir = dir.getParentFile (); +}var procs = new java.io.File (dir, "procs"); +if (!procs.exists ()) procs = new java.io.File (dir, "pdata/1/procs"); +var pdata = procs.getParentFile (); +var brukerDir = pdata.getParentFile ().getParentFile (); +var map = new java.util.Hashtable (); +this.mapParameters (brukerDir, "acqus", map, null); +this.mapParameters (brukerDir, "acqu2s", map, "_2"); +this.mapParameters (pdata, "procs", map, null); +this.mapParameters (pdata, "proc2s", map, "_2"); +map.put ("##TITLE", String.instantialize (this.getFileContentsAsBytes ( new java.io.File (pdata, "title")))); +var data1r = this.getFileContentsAsBytes ( new java.io.File (procs.getParent (), "1r")); +var data1i = (this.allowPhasing ? this.getFileContentsAsBytes ( new java.io.File (procs.getParent (), "1i")) : Clazz.newByteArray (0, 0)); +var data2rr = this.getFileContentsAsBytes ( new java.io.File (procs.getParent (), "2rr")); +return this.getSource (brukerDir.toString (), map, data1r, data1i, data2rr); +}, "~S"); +Clazz.defineMethod (c$, "mapParameters", + function (dir, fname, map, suffix) { +var f = new java.io.File (dir, fname); +if (!f.exists ()) return; +var is = new java.io.FileInputStream (f); +JSV.source.JDXReader.getHeaderMapS (is, map, suffix); +is.close (); +}, "java.io.File,~S,java.util.Map,~S"); +Clazz.defineMethod (c$, "getSource", + function (brukerDir, map, data1r, data1i, data2rr) { +var dtypp = Integer.parseInt (map.get ("##$DTYPP")); +var byteorp = (dtypp == 0 ? Integer.parseInt (map.get ("##$BYTORDP")) : 2147483647); +if (dtypp == -2147483648 || byteorp == -2147483648) return null; +var source = null; +if (data1r.length > 0) { +source = new JSV.source.JDXSource ((data1i.length == 0 ? 0 : 2), brukerDir); +this.setSource (this.getData (data1r, dtypp, byteorp), this.getData (data1i, dtypp, byteorp), map, source, false); +} else if (data2rr.length > 0) { +source = new JSV.source.JDXSource (2, brukerDir); +this.setSource (this.getData (data2rr, dtypp, byteorp), null, map, source, true); +}return source; +}, "~S,java.util.Map,~A,~A,~A"); +Clazz.defineMethod (c$, "setSource", + function (datar, datai, map, source, is2D) { +var LDRTable = new JU.Lst (); +var spectrum0 = new JSV.common.Spectrum (); +spectrum0.setTitle (map.get ("##TITLE")); +spectrum0.setJcampdx (is2D ? "6.0" : "5.1"); +spectrum0.setDataClass ("XYDATA"); +spectrum0.setDataType (is2D ? "nD NMR SPECTRUM" : "NMR SPECTRUM"); +spectrum0.setContinuous (true); +spectrum0.setIncreasing (false); +spectrum0.setLongDate (map.get ("##$DATE")); +spectrum0.setOrigin ("Bruker BioSpin GmbH/JSpecView"); +spectrum0.setOwner (map.get ("##OWNER")); +var freq = JSV.source.BrukerReader.parseDouble (map.get ("##$SFO1")); +var ref = JSV.source.BrukerReader.parseDouble (map.get ("##$ABSF1")); +if (ref == 0) { +ref = JSV.source.BrukerReader.parseDouble (map.get ("##$OFFSET")); +}var nuc1 = this.cleanJDXValue (map.get ("##$NUC1")); +var nuc2 = this.cleanJDXValue (map.get ("##$NUC2")); +if (nuc2.length == 0) nuc2 = nuc1; +var sw_hz = JSV.source.BrukerReader.parseDouble (map.get ("##$SWP")); +var sw = sw_hz / freq; +var shift = ref - sw; +var solvent = this.cleanJDXValue (map.get ("##$SOLVENT")); +var shiftType = "INTERNAL"; +JSV.source.JDXReader.addHeader (LDRTable, "##.SHIFTREFERENCE", shiftType + ", " + solvent + ", 1, " + ref); +JSV.source.JDXReader.addHeader (LDRTable, "##.OBSERVEFREQUENCY", "" + freq); +JSV.source.JDXReader.addHeader (LDRTable, "##.OBSERVENUCLEUS", nuc1); +JSV.source.JDXReader.addHeader (LDRTable, "##SPECTROMETER/DATA SYSTEM", this.cleanJDXValue (map.get ("##$INSTRUM"))); +spectrum0.setHeaderTable (LDRTable); +spectrum0.setObservedNucleus (nuc1); +spectrum0.setObservedFreq (freq); +spectrum0.setHZtoPPM (true); +if (is2D) { +source.isCompoundSource = true; +spectrum0.setNumDim (2); +spectrum0.setNucleusAndFreq (nuc2, false); +var si0 = Integer.parseInt (map.get ("##$SI")); +var si1 = Integer.parseInt (map.get ("##$SI_2")); +var ref1 = JSV.source.BrukerReader.parseDouble (map.get ("##$ABSF1_2")); +if (ref1 == 0) { +ref1 = JSV.source.BrukerReader.parseDouble (map.get ("##$OFFSET")); +}var freq1 = JSV.source.BrukerReader.parseDouble (map.get ("##$SFO1_2")); +var sw_hz1 = JSV.source.BrukerReader.parseDouble (map.get ("##$SWP_2")); +var npoints = si0; +var xfactor = sw_hz / npoints; +var xfactor1 = sw_hz1 / si1; +var freq2 = freq1; +freq1 = ref1 * freq1 - xfactor1; +spectrum0.fileNPoints = npoints; +spectrum0.fileFirstX = sw_hz - xfactor; +spectrum0.fileLastX = 0; +var f = 1; +for (var j = 0, pt = 0; j < si1; j++) { +var spectrum = new JSV.common.Spectrum (); +spectrum0.copyTo (spectrum); +spectrum.setTitle (spectrum0.getTitle ()); +spectrum.setY2D (freq1); +spectrum.blockID = Math.random (); +spectrum0.fileNPoints = npoints; +spectrum0.fileFirstX = sw_hz - xfactor; +spectrum0.fileLastX = 0; +spectrum.setY2DUnits ("HZ"); +spectrum.setXFactor (1); +spectrum.setYFactor (1); +spectrum.setObservedNucleus (nuc2); +spectrum.setObservedFreq (freq2); +var xyCoords = new Array (npoints); +for (var i = 0; i < npoints; i++) { +xyCoords[npoints - i - 1] = new JSV.common.Coordinate ().set ((npoints - i) * xfactor / freq + shift, datar[pt++] * f); +} +spectrum.setXYCoords (xyCoords); +source.addJDXSpectrum (null, spectrum, j > 0); +freq1 -= xfactor1; +} +} else { +var npoints = datar.length; +var xfactor = sw_hz / npoints; +spectrum0.fileFirstX = sw_hz - xfactor; +spectrum0.fileLastX = 0; +spectrum0.fileNPoints = npoints; +var xyCoords = new Array (npoints); +for (var i = 0; i < npoints; i++) { +xyCoords[npoints - i - 1] = new JSV.common.Coordinate ().set ((npoints - i - 1) * xfactor / freq + shift, datar[i]); +} +spectrum0.setXYCoords (xyCoords); +spectrum0.fileNPoints = npoints; +spectrum0.setXFactor (xfactor); +spectrum0.setYFactor (1); +spectrum0.setXUnits ("ppm"); +spectrum0.setYUnits ("ARBITRARY UNITS"); +spectrum0.setNumDim (1); +if (spectrum0.getMaxY () >= 10000) spectrum0.normalizeSimulation (1000); +source.addJDXSpectrum (null, spectrum0, false); +}}, "~A,~A,java.util.Map,JSV.source.JDXSource,~B"); +c$.parseDouble = Clazz.defineMethod (c$, "parseDouble", + function (val) { +return (val == null || val.length == 0 ? NaN : Double.parseDouble (val)); +}, "~S"); +Clazz.defineMethod (c$, "getData", + function (bytes, dtypp, byteorp) { +var len = Clazz.doubleToInt (bytes.length / (dtypp == 0 ? 4 : 8)); +var doc = new JU.BinaryDocument (); +doc.setStream ( new java.io.BufferedInputStream ( new java.io.ByteArrayInputStream (bytes)), byteorp != 0); +var ad = Clazz.newDoubleArray (len, 0); +var d = 0; +var dmin = 1.7976931348623157E308; +var dmax = -1.7976931348623157E308; +if (dtypp == 0) { +for (var i = 0; i < len; i++) { +var f = 1; +ad[i] = d = doc.readInt () * f; +if (d < dmin) dmin = d; +if (d > dmax) dmax = d; +} +} else { +for (var i = 0; i < len; i++) { +ad[i] = d = doc.readDouble (); +if (d < dmin) dmin = d; +if (d > dmax) dmax = d; +} +}doc.close (); +return ad; +}, "~A,~N,~N"); +Clazz.defineMethod (c$, "cleanJDXValue", + function (val) { +var s = (val == null ? "" : val.startsWith ("<") ? val.substring (1, val.length - 1) : val); +return (s.equals ("off") ? "" : s); +}, "~S"); +Clazz.defineMethod (c$, "getFileContentsAsBytes", + function (file) { +if (!file.exists ()) return Clazz.newByteArray (0, 0); +var len = file.length (); +return this.getBytes ( new java.io.FileInputStream (file), len, true); +}, "java.io.File"); +Clazz.defineMethod (c$, "getBytes", + function ($in, len, andClose) { +var bytes = Clazz.newByteArray (len, 0); +try { +var pos = 0; +while (len > 0) { +var n = $in.read (bytes, pos, len); +if (n < 0) break; +len -= n; +pos += n; +} +if (andClose) $in.close (); +return bytes; +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +} else { +throw e; +} +} +return Clazz.newByteArray (0, 0); +}, "java.io.InputStream,~N,~B"); +Clazz.defineStatics (c$, +"TYPE_INT", 0); +}); diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXDataObject.js b/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXDataObject.js index cbeb68fe..926b37c7 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXDataObject.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXDataObject.js @@ -1,46 +1,45 @@ Clazz.declarePackage ("JSV.source"); -Clazz.load (["JSV.source.JDXHeader"], "JSV.source.JDXDataObject", ["java.lang.Character", "$.Double", "JU.DF", "$.PT", "JSV.common.Annotation", "$.Coordinate", "$.Integral", "JSV.exception.JSVException", "JU.Logger"], function () { +Clazz.load (["JSV.source.JDXHeader", "java.util.Hashtable"], "JSV.source.JDXDataObject", ["java.lang.Character", "$.Double", "JU.DF", "$.PT", "JSV.common.Annotation", "$.Coordinate", "$.Integral", "JSV.exception.JSVException", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { +this.sourceID = ""; +this.isSimulation = false; +this.blockID = 0; this.filePath = null; this.filePathForwardSlash = null; -this.isSimulation = false; this.inlineData = null; -this.sourceID = ""; -this.blockID = 0; +this.fileShiftRef = 1.7976931348623157E308; +this.fileShiftRefType = -1; +this.fileShiftRefDataPt = -1; +this.minX = NaN; +this.minY = NaN; +this.maxX = NaN; +this.maxY = NaN; +this.deltaX = NaN; +this.xyCoords = null; +this.continuous = false; +this.$isHZtoPPM = false; +this.xIncreases = true; this.fileFirstX = 1.7976931348623157E308; this.fileLastX = 1.7976931348623157E308; -this.nPointsFile = -1; +this.fileNPoints = -1; this.xFactor = 1.7976931348623157E308; this.yFactor = 1.7976931348623157E308; -this.varName = ""; +this.nucleusX = null; +this.nucleusY = "?"; +this.freq2dX = NaN; +this.freq2dY = NaN; +this.y2DUnits = ""; +this.parent = null; this.xUnits = ""; this.yUnits = ""; this.xLabel = null; this.yLabel = null; -this.nH = 0; +this.varName = ""; this.observedNucl = ""; this.observedFreq = 1.7976931348623157E308; -this.parent = null; -this.offset = 1.7976931348623157E308; -this.shiftRefType = -1; -this.dataPointNum = -1; this.numDim = 1; -this.nucleusX = null; -this.nucleusY = "?"; -this.freq2dX = NaN; -this.freq2dY = NaN; +this.nH = 0; this.y2D = NaN; -this.y2DUnits = ""; -this.$isHZtoPPM = false; -this.xIncreases = true; -this.continuous = false; -this.xyCoords = null; -this.minX = NaN; -this.minY = NaN; -this.maxX = NaN; -this.maxY = NaN; -this.deltaX = NaN; -this.normalizationFactor = 1; Clazz.instantialize (this, arguments); }, JSV.source, "JDXDataObject", JSV.source.JDXHeader); Clazz.defineMethod (c$, "setInlineData", @@ -67,9 +66,10 @@ Clazz.defineMethod (c$, "setBlockID", function (id) { this.blockID = id; }, "~N"); -Clazz.defineMethod (c$, "isImaginary", +Clazz.defineMethod (c$, "checkJDXRequiredTokens", function () { -return this.varName.contains ("IMAG"); +var missingTag = (this.fileFirstX == 1.7976931348623157E308 ? "##FIRSTX" : this.fileLastX == 1.7976931348623157E308 ? "##LASTX" : this.fileNPoints == -1 ? "##NPOINTS" : this.xFactor == 1.7976931348623157E308 ? "##XFACTOR" : this.yFactor == 1.7976931348623157E308 ? "##YFACTOR" : null); +if (missingTag != null) throw new JSV.exception.JSVException ("Error Reading Data Set: " + missingTag + " not found"); }); Clazz.defineMethod (c$, "setXFactor", function (xFactor) { @@ -87,10 +87,13 @@ Clazz.defineMethod (c$, "getYFactor", function () { return this.yFactor; }); -Clazz.defineMethod (c$, "checkRequiredTokens", +Clazz.defineMethod (c$, "setVarName", +function (name) { +this.varName = name; +}, "~S"); +Clazz.defineMethod (c$, "isImaginary", function () { -var err = (this.fileFirstX == 1.7976931348623157E308 ? "##FIRSTX" : this.fileLastX == 1.7976931348623157E308 ? "##LASTX" : this.nPointsFile == -1 ? "##NPOINTS" : this.xFactor == 1.7976931348623157E308 ? "##XFACTOR" : this.yFactor == 1.7976931348623157E308 ? "##YFACTOR" : null); -if (err != null) throw new JSV.exception.JSVException ("Error Reading Data Set: " + err + " not found"); +return this.varName.contains ("IMAG"); }); Clazz.defineMethod (c$, "setXUnits", function (xUnits) { @@ -120,8 +123,12 @@ this.yLabel = value; Clazz.defineMethod (c$, "setObservedNucleus", function (value) { this.observedNucl = value; -if (this.numDim == 1) this.parent.nucleusX = this.nucleusX = this.fixNucleus (value); +if (this.is1D ()) this.parent.nucleusX = this.nucleusX = this.fixNucleus (value); }, "~S"); +Clazz.defineMethod (c$, "getObservedNucleus", +function () { +return this.observedNucl; +}); Clazz.defineMethod (c$, "setObservedFreq", function (observedFreq) { this.observedFreq = observedFreq; @@ -130,10 +137,26 @@ Clazz.defineMethod (c$, "getObservedFreq", function () { return this.observedFreq; }); +Clazz.defineMethod (c$, "setHydrogenCount", +function (nH) { +this.nH = nH; +}, "~N"); +Clazz.defineMethod (c$, "getHydrogenCount", +function () { +return this.nH; +}); Clazz.defineMethod (c$, "is1D", function () { return this.numDim == 1; }); +Clazz.defineMethod (c$, "getNumDim", +function () { +return this.numDim; +}); +Clazz.defineMethod (c$, "setNumDim", +function (n) { +this.numDim = n; +}, "~N"); Clazz.defineMethod (c$, "setY2D", function (d) { this.y2D = d; @@ -161,8 +184,8 @@ var freq; if (this.observedNucl.indexOf (nuc) >= 0) { freq = this.observedFreq; } else { -var g1 = JSV.source.JDXDataObject.getGyroMagneticRatio (this.observedNucl); -var g2 = JSV.source.JDXDataObject.getGyroMagneticRatio (nuc); +var g1 = JSV.source.JDXDataObject.getGyromagneticRatio (this.fixNucleus (this.observedNucl)); +var g2 = JSV.source.JDXDataObject.getGyromagneticRatio (nuc); freq = this.observedFreq * g2 / g1; }if (isX) this.freq2dX = freq; else this.freq2dY = freq; @@ -172,16 +195,30 @@ Clazz.defineMethod (c$, "fixNucleus", function (nuc) { return JU.PT.rep (JU.PT.trim (nuc, "[]^<>"), "NUC_", ""); }, "~S"); -c$.getGyroMagneticRatio = Clazz.defineMethod (c$, "getGyroMagneticRatio", - function (nuc) { +c$.getNominalSpecFreq = Clazz.defineMethod (c$, "getNominalSpecFreq", +function (nuc, freq) { +var d = freq * JSV.source.JDXDataObject.getGyromagneticRatio ("1H") / JSV.source.JDXDataObject.getGyromagneticRatio (nuc); +var century = Math.round (d / 100) * 100; +return (Double.isNaN (d) ? -1 : Math.abs (d - century) < 2 ? century : Math.round (d)); +}, "~S,~N"); +c$.getGyromagneticRatio = Clazz.defineMethod (c$, "getGyromagneticRatio", +function (nuc) { +var v = null; +try { +v = JSV.source.JDXDataObject.gyroMap.get (nuc); +if (v != null) return v.doubleValue (); var pt = 0; -while (pt < nuc.length && !Character.isDigit (nuc.charAt (pt))) pt++; - -pt = JU.PT.parseInt (nuc.substring (pt)); -var i = 0; -for (; i < JSV.source.JDXDataObject.gyroData.length; i += 2) if (JSV.source.JDXDataObject.gyroData[i] >= pt) break; +while (pt < nuc.length && Character.isDigit (nuc.charAt (pt))) pt++; -return (JSV.source.JDXDataObject.gyroData[i] == pt ? JSV.source.JDXDataObject.gyroData[i + 1] : NaN); +v = JSV.source.JDXDataObject.gyroMap.get (nuc.substring (0, pt)); +if (v != null) JSV.source.JDXDataObject.gyroMap.put (nuc, v); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +} else { +throw e; +} +} +return (v == null ? NaN : v.doubleValue ()); }, "~S"); Clazz.defineMethod (c$, "isTransmittance", function () { @@ -257,7 +294,7 @@ Clazz.defineMethod (c$, "shouldDisplayXAxisIncreasing", function () { var dt = this.dataType.toUpperCase (); var xu = this.xUnits.toUpperCase (); -if (dt.contains ("NMR") && !(dt.contains ("FID"))) { +if (dt.contains ("NMR") && !dt.contains ("FID")) { return false; } else if (dt.contains ("LINK") && xu.contains ("CM")) { return false; @@ -309,7 +346,7 @@ if (Double.isNaN (dx)) return ""; var precision = 1; var units = ""; if (this.isNMR ()) { -if (this.numDim == 1) { +if (this.is1D ()) { var isIntegral = (Clazz.instanceOf (m, JSV.common.Integral)); if (this.isHNMR () || isIntegral) { if (!isIntegral) { @@ -376,13 +413,13 @@ Clazz.defineMethod (c$, "getMaxY", function () { return (Double.isNaN (this.maxY) ? (this.maxY = JSV.common.Coordinate.getMaxY (this.xyCoords, 0, this.xyCoords.length - 1)) : this.maxY); }); -Clazz.defineMethod (c$, "doNormalize", +Clazz.defineMethod (c$, "normalizeSimulation", function (max) { if (!this.isNMR () || !this.is1D ()) return; -this.normalizationFactor = max / this.getMaxY (); +var f = max / this.getMaxY (); this.maxY = NaN; -JSV.common.Coordinate.applyScale (this.xyCoords, 1, this.normalizationFactor); -JU.Logger.info ("Y values have been scaled by a factor of " + this.normalizationFactor); +JSV.common.Coordinate.applyScale (this.xyCoords, 1, f); +JU.Logger.info ("Y values have been scaled by a factor of " + f); }, "~N"); Clazz.defineMethod (c$, "getDeltaX", function () { @@ -408,9 +445,9 @@ newObj.setContinuous (this.continuous); newObj.setIncreasing (this.xIncreases); newObj.observedFreq = this.observedFreq; newObj.observedNucl = this.observedNucl; -newObj.offset = this.offset; -newObj.dataPointNum = this.dataPointNum; -newObj.shiftRefType = this.shiftRefType; +newObj.fileShiftRef = this.fileShiftRef; +newObj.fileShiftRefDataPt = this.fileShiftRefDataPt; +newObj.fileShiftRefType = this.fileShiftRefType; newObj.$isHZtoPPM = this.$isHZtoPPM; newObj.numDim = this.numDim; newObj.nucleusX = this.nucleusX; @@ -463,11 +500,58 @@ if (this.isNMR ()) { return Clazz.newDoubleArray (-1, [x, y, x * this.observedFreq, (dx * this.observedFreq > 20 ? 0 : dx * this.observedFreq), (ddx * this.observedFreq > 20 ? 0 : ddx * this.observedFreq), (dddx * this.observedFreq > 20 ? 0 : dddx * this.observedFreq)]); }return Clazz.newDoubleArray (-1, [x, y]); }, "JSV.common.Measurement,~A,~N"); +Clazz.defineMethod (c$, "finalizeCoordinates", +function () { +var freq = (Double.isNaN (this.freq2dX) ? this.observedFreq : this.freq2dX); +var isHz = (freq != 1.7976931348623157E308 && this.getXUnits ().toUpperCase ().equals ("HZ")); +if (this.fileShiftRef != 1.7976931348623157E308 && freq != 1.7976931348623157E308 && this.dataType.toUpperCase ().contains ("SPECTRUM") && this.jcampdx.indexOf ("JEOL") < 0) { +this.applyShiftReference (isHz ? freq : 1, this.fileShiftRef); +}if (this.fileFirstX > this.fileLastX) JSV.common.Coordinate.reverse (this.xyCoords); +if (isHz) { +JSV.common.Coordinate.applyScale (this.xyCoords, (1.0 / freq), 1); +this.setXUnits ("PPM"); +this.setHZtoPPM (true); +}}); +Clazz.defineMethod (c$, "setShiftReference", +function (shift, pt, type) { +this.fileShiftRef = shift; +this.fileShiftRefDataPt = (pt > 0 ? pt : 1); +this.fileShiftRefType = type; +}, "~N,~N,~N"); +Clazz.defineMethod (c$, "isShiftTypeSpecified", +function () { +return (this.fileShiftRefType != -1); +}); +Clazz.defineMethod (c$, "applyShiftReference", + function (referenceFreq, shift) { +if (this.fileShiftRefDataPt > this.xyCoords.length || this.fileShiftRefDataPt < 0) return; +var coord; +switch (this.fileShiftRefType) { +case 0: +shift = this.xyCoords[this.fileShiftRefDataPt - 1].getXVal () - shift * referenceFreq; +break; +case 1: +shift = this.fileFirstX - shift * referenceFreq; +break; +case 2: +shift = this.fileLastX + shift; +break; +} +for (var index = 0; index < this.xyCoords.length; index++) { +coord = this.xyCoords[index]; +coord.setXVal (coord.getXVal () - shift); +this.xyCoords[index] = coord; +} +}, "~N,~N"); Clazz.defineStatics (c$, "ERROR", 1.7976931348623157E308, -"SCALE_NONE", 0, -"SCALE_TOP", 1, -"SCALE_BOTTOM", 2, -"SCALE_TOP_BOTTOM", 3, +"REF_TYPE_UNSPECIFIED", -1, +"REF_TYPE_STANDARD", 0, +"REF_TYPE_BRUKER", 1, +"REF_TYPE_VARIAN", 2, "gyroData", Clazz.newDoubleArray (-1, [1, 42.5774806, 2, 6.53590131, 3, 45.4148, 3, 32.436, 6, 6.2661, 7, 16.5483, 9, 5.9842, 10, 4.5752, 11, 13.663, 13, 10.70839657, 14, 3.07770646, 15, 4.31726570, 17, 5.7742, 19, 40.07757016, 21, 3.3631, 23, 11.26952167, 25, 2.6083, 27, 11.1031, 29, 8.4655, 31, 17.25144090, 33, 3.2717, 35, 4.1765, 37, 3.4765, 37, 5.819, 39, 3.46, 39, 1.9893, 40, 2.4737, 41, 1.0919, 43, 2.8688, 45, 10.3591, 47, 2.4041, 49, 2.4048, 50, 4.2505, 51, 11.2133, 53, 2.4115, 55, 10.5763, 57, 1.3816, 59, 10.077, 61, 3.8114, 63, 11.2982, 65, 12.103, 67, 2.6694, 69, 10.2478, 71, 13.0208, 73, 1.4897, 75, 7.315, 77, 8.1571, 79, 10.7042, 81, 11.5384, 83, 1.6442, 85, 4.1254, 87, 13.9811, 87, 1.8525, 89, 2.0949, 91, 3.9748, 93, 10.4523, 95, 2.7874, 97, 2.8463, 99, 9.6294, 99, 1.9553, 101, 2.1916, 103, 1.3477, 105, 1.957, 107, 1.7331, 109, 1.9924, 111, 9.0692, 113, 9.4871, 113, 9.3655, 115, 9.3856, 115, 14.0077, 117, 15.261, 119, 15.966, 121, 10.2551, 123, 5.5532, 123, 11.2349, 125, 13.5454, 127, 8.5778, 129, 11.8604, 131, 3.5159, 133, 5.6234, 135, 4.2582, 137, 4.7634, 138, 5.6615, 139, 6.0612, 137, 4.88, 139, 5.39, 141, 2.37, 141, 13.0359, 143, 2.319, 145, 1.429, 143, 11.59, 147, 5.62, 147, 1.7748, 149, 14631, 151, 10.5856, 153, 4.6745, 155, 1.312, 157, 1.72, 159, 10.23, 161, 1.4654, 163, 2.0508, 165, 9.0883, 167, 1.2281, 169, 3.531, 171, 7.5261, 173, 2.073, 175, 4.8626, 176, 3.451, 177, 1.7282, 179, 1.0856, 180, 4.087, 181, 5.1627, 183, 1.7957, 185, 9.7176, 187, 9.817, 187, 0.9856, 189, 3.3536, 191, 0.7658, 191, 0.8319, 195, 9.2922, 197, 0.7406, 199, 7.7123, 201, 2.8469, 203, 24.7316, 205, 24.9749, 207, 9.034, 209, 6.963, 209, 11.7, 211, 9.16, 223, 5.95, 223, 1.3746, 225, 11.187, 227, 5.6, 229, 1.4, 231, 10.2, 235, 0.83, 237, 9.57, 239, 3.09, 243, 4.6, 1E100])); -}); +c$.gyroMap = c$.prototype.gyroMap = new java.util.Hashtable (); +{ +for (var i = 0, n = JSV.source.JDXDataObject.gyroData.length - 1; i < n; i += 2) JSV.source.JDXDataObject.gyroMap.put ("" + Clazz.doubleToInt (JSV.source.JDXDataObject.gyroData[i]), Double.$valueOf (JSV.source.JDXDataObject.gyroData[i + 1])); + +}}); diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXDecompressor.js b/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXDecompressor.js index 415f9b7e..0edc6012 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXDecompressor.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXDecompressor.js @@ -1,32 +1,27 @@ Clazz.declarePackage ("JSV.source"); -Clazz.load (null, "JSV.source.JDXDecompressor", ["java.lang.Double", "JSV.common.Coordinate", "JU.Logger"], function () { +Clazz.load (["java.util.Iterator"], "JSV.source.JDXDecompressor", ["java.lang.Double", "JSV.common.Coordinate", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.xFactor = 0; this.yFactor = 0; -this.deltaX = 0; this.nPoints = 0; this.ich = 0; -this.lineNumber = 0; this.t = null; this.firstX = 0; -this.dx = 0; +this.lastX = 0; this.maxY = 4.9E-324; this.minY = 1.7976931348623157E308; this.debugging = false; this.xyCoords = null; -this.ipt = 0; this.line = null; -this.lastLine = null; this.lineLen = 0; this.errorLog = null; -this.difVal = -2147483648; this.lastDif = -2147483648; this.dupCount = 0; -this.xval = 0; -this.yval = 0; -this.firstLastX = null; +this.nptsFound = 0; +this.lastY = 0; +this.isDIF = true; Clazz.instantialize (this, arguments); -}, JSV.source, "JDXDecompressor"); +}, JSV.source, "JDXDecompressor", null, java.util.Iterator); Clazz.defineMethod (c$, "getMinY", function () { return this.minY; @@ -36,107 +31,237 @@ function () { return this.maxY; }); Clazz.makeConstructor (c$, -function (t, firstX, xFactor, yFactor, deltaX, nPoints) { +function (t, firstX, lastX, xFactor, yFactor, nPoints) { this.t = t; this.firstX = firstX; +this.lastX = lastX; this.xFactor = xFactor; this.yFactor = yFactor; -this.deltaX = deltaX; this.nPoints = nPoints; -this.lineNumber = t.labelLineNo; this.debugging = JU.Logger.isActiveLevel (6); }, "JSV.source.JDXSourceStreamTokenizer,~N,~N,~N,~N,~N"); -Clazz.defineMethod (c$, "addPoint", - function (pt) { -if (this.ipt == this.xyCoords.length) { -var t = new Array (this.ipt * 2); -System.arraycopy (this.xyCoords, 0, t, 0, this.ipt); -this.xyCoords = t; -}var d = pt.getYVal (); -if (d > this.maxY) this.maxY = d; - else if (d < this.minY) this.minY = d; -if (this.debugging) this.logError ("Coord: " + this.ipt + pt); -this.xyCoords[this.ipt++] = pt; -this.firstLastX[1] = pt.getXVal (); -}, "JSV.common.Coordinate"); +Clazz.makeConstructor (c$, +function (line, lastY) { +this.line = line.trim (); +this.lineLen = line.length; +this.lastY = lastY; +}, "~S,~N"); Clazz.defineMethod (c$, "decompressData", -function (errorLog, firstLastX) { +function (errorLog) { this.errorLog = errorLog; -this.firstLastX = firstLastX; -if (this.debugging) this.logError ("firstX=" + this.firstX + " xFactor=" + this.xFactor + " yFactor=" + this.yFactor + " deltaX=" + this.deltaX + " nPoints=" + this.nPoints); -this.testAlgorithm (); +var deltaXcalc = JSV.common.Coordinate.deltaX (this.lastX, this.firstX, this.nPoints); +if (this.debugging) this.logError ("firstX=" + this.firstX + " lastX=" + this.lastX + " xFactor=" + this.xFactor + " yFactor=" + this.yFactor + " deltaX=" + deltaXcalc + " nPoints=" + this.nPoints); this.xyCoords = new Array (this.nPoints); -var difMax = Math.abs (0.35 * this.deltaX); -var dif14 = Math.abs (1.4 * this.deltaX); -var dif06 = Math.abs (0.6 * this.deltaX); +var difFracMax = 0.5; +var prevXcheck = 0; +var prevIpt = 0; +var lastXExpected = this.lastX; +var x = this.lastX = this.firstX; +var lastLine = null; +var ipt = 0; +var yval = 0; +var haveWarned = false; +var lineNumber = this.t.labelLineNo; try { while ((this.line = this.t.readLineTrimmed ()) != null && this.line.indexOf ("##") < 0) { -this.lineNumber++; -if (this.debugging) this.logError (this.lineNumber + "\t" + this.line); +lineNumber++; if ((this.lineLen = this.line.length) == 0) continue; this.ich = 0; -var isCheckPoint = (this.lastDif != -2147483648); -this.xval = this.getValueDelim () * this.xFactor; -if (this.ipt == 0) { -firstLastX[0] = this.xval; -this.dx = this.firstX - this.xval; -}this.xval += this.dx; -var point = new JSV.common.Coordinate ().set (this.xval, (this.yval = this.getYValue ()) * this.yFactor); -if (this.ipt == 0) { -this.addPoint (point); -} else { -var lastPoint = this.xyCoords[this.ipt - 1]; -var xdif = Math.abs (lastPoint.getXVal () - point.getXVal ()); -if (isCheckPoint && xdif < difMax) { -this.xyCoords[this.ipt - 1] = point; -var y = lastPoint.getYVal (); -var y1 = point.getYVal (); -if (y1 != y) this.logError (this.lastLine + "\n" + this.line + "\nY-value Checkpoint Error! Line " + this.lineNumber + " for y1=" + y1 + " y0=" + y); +var isCheckPoint = this.isDIF; +var xcheck = this.readSignedFloat () * this.xFactor; +yval = this.nextValue (yval); +if (!isCheckPoint && ipt > 0) x += deltaXcalc; +if (this.debugging) this.logError ("Line: " + lineNumber + " isCP=" + isCheckPoint + "\t>>" + this.line + "<<\n x, xcheck " + x + " " + x / this.xFactor + " " + xcheck / this.xFactor + " " + deltaXcalc / this.xFactor); +var y = yval * this.yFactor; +var point = new JSV.common.Coordinate ().set (x, y); +if (ipt == 0 || !isCheckPoint) { +this.addPoint (point, ipt++); +} else if (ipt < this.nPoints) { +var lastY = this.xyCoords[ipt - 1].getYVal (); +if (y != lastY) { +this.xyCoords[ipt - 1] = point; +this.logError (lastLine + "\n" + this.line + "\nY-value Checkpoint Error! Line " + lineNumber + " for y=" + y + " yLast=" + lastY); +}if (xcheck == prevXcheck || (xcheck < prevXcheck) != (deltaXcalc < 0)) { +this.logError (lastLine + "\n" + this.line + "\nX-sequence Checkpoint Error! Line " + lineNumber + " order for xCheck=" + xcheck + " after prevXCheck=" + prevXcheck); +}var xcheckDif = Math.abs (xcheck - prevXcheck); +var xiptDif = Math.abs ((ipt - prevIpt) * deltaXcalc); +var fracDif = Math.abs ((xcheckDif - xiptDif)) / xcheckDif; +if (this.debugging) System.err.println ("JDXD fracDif = " + xcheck + "\t" + prevXcheck + "\txcheckDif=" + xcheckDif + "\txiptDif=" + xiptDif + "\tf=" + fracDif); +if (fracDif > difFracMax) { +this.logError (lastLine + "\n" + this.line + "\nX-value Checkpoint Error! Line " + lineNumber + " expected " + xiptDif + " but X-Sequence Check difference reads " + xcheckDif); +}}prevIpt = (ipt == 1 ? 0 : ipt); +prevXcheck = xcheck; +var nX = 0; +while (this.hasNext ()) { +var ich0 = this.ich; +if (this.debugging) this.logError ("line " + lineNumber + " char " + ich0 + ":" + this.line.substring (0, ich0) + ">>>>" + this.line.substring (this.ich)); +if (Double.isNaN (yval = this.nextValue (yval))) { +this.logError ("There was an error reading line " + lineNumber + " char " + ich0 + ":" + this.line.substring (0, ich0) + ">>>>" + this.line.substring (ich0)); } else { -this.addPoint (point); -if (xdif < dif06 || xdif > dif14) this.logError (this.lastLine + "\n" + this.line + "\nX-sequence Checkpoint Error! Line " + this.lineNumber + " |x1-x0|=" + xdif + " instead of " + Math.abs (this.deltaX) + " for x1=" + point.getXVal () + " x0=" + lastPoint.getXVal ()); -}}while (this.ich < this.lineLen || this.difVal != -2147483648 || this.dupCount > 0) { -this.xval += this.deltaX; -if (!Double.isNaN (this.yval = this.getYValue ())) this.addPoint ( new JSV.common.Coordinate ().set (this.xval, this.yval * this.yFactor)); -} -this.lastLine = this.line; +x += deltaXcalc; +if (yval == 1.7976931348623157E308) { +yval = 0; +this.logError ("Point marked invalid '?' for line " + lineNumber + " char " + ich0 + ":" + this.line.substring (0, ich0) + ">>>>" + this.line.substring (ich0)); +}this.addPoint ( new JSV.common.Coordinate ().set (x, yval * this.yFactor), ipt++); +if (this.debugging) this.logError ("nx=" + ++nX + " " + x + " " + x / this.xFactor + " yval=" + yval); +}} +this.lastX = x; +if (!haveWarned && ipt > this.nPoints) { +this.logError ("! points overflow nPoints!"); +haveWarned = true; +}lastLine = this.line; } } catch (ioe) { if (Clazz.exceptionOf (ioe, java.io.IOException)) { +ioe.printStackTrace (); } else { throw ioe; } } -if (this.nPoints != this.ipt) { -this.logError ("Decompressor did not find " + this.nPoints + " points -- instead " + this.ipt); -var temp = new Array (this.ipt); -System.arraycopy (this.xyCoords, 0, temp, 0, this.ipt); -this.xyCoords = temp; -}return (this.deltaX > 0 ? this.xyCoords : JSV.common.Coordinate.reverse (this.xyCoords)); -}, "JU.SB,~A"); +this.checkZeroFill (ipt, lastXExpected); +return this.xyCoords; +}, "JU.SB"); +Clazz.defineMethod (c$, "checkZeroFill", + function (ipt, lastXExpected) { +this.nptsFound = ipt; +if (this.nPoints == this.nptsFound) { +if (Math.abs (lastXExpected - this.lastX) > 0.00001) this.logError ("Something went wrong! The last X value was " + this.lastX + " but expected " + lastXExpected); +} else { +this.logError ("Decompressor did not find " + this.nPoints + " points -- instead " + this.nptsFound + " xyCoords.length set to " + this.nPoints); +for (var i = this.nptsFound; i < this.nPoints; i++) this.addPoint ( new JSV.common.Coordinate ().set (0, NaN), i); + +}}, "~N,~N"); +Clazz.defineMethod (c$, "addPoint", + function (pt, ipt) { +if (ipt >= this.nPoints) return; +this.xyCoords[ipt] = pt; +var y = pt.getYVal (); +if (y > this.maxY) this.maxY = y; + else if (y < this.minY) this.minY = y; +if (this.debugging) this.logError ("Coord: " + ipt + pt); +}, "JSV.common.Coordinate,~N"); Clazz.defineMethod (c$, "logError", function (s) { if (this.debugging) JU.Logger.debug (s); +System.err.println (s); this.errorLog.append (s).appendC ('\n'); }, "~S"); -Clazz.defineMethod (c$, "getYValue", +Clazz.defineMethod (c$, "nextValue", + function (yval) { +if (this.dupCount > 0) return this.getDuplicate (yval); +var ch = this.skipUnknown (); +switch (JSV.source.JDXDecompressor.actions[ch.charCodeAt (0)]) { +case 1: +this.isDIF = true; +return yval + (this.lastDif = this.readNextInteger (ch == '%' ? 0 : ch <= 'R' ? ch.charCodeAt (0) - 73 : 105 - ch.charCodeAt (0))); +case 2: +this.dupCount = this.readNextInteger ((ch == 's' ? 9 : ch.charCodeAt (0) - 82)) - 1; +return this.getDuplicate (yval); +case 3: +yval = this.readNextSqueezedNumber (ch); +break; +case 4: +this.ich--; +yval = this.readSignedFloat (); +break; +case -1: +yval = 1.7976931348623157E308; +break; +default: +yval = NaN; +break; +} +this.isDIF = false; +return yval; +}, "~N"); +Clazz.defineMethod (c$, "skipUnknown", function () { -if (this.dupCount > 0) { ---this.dupCount; -this.yval = (this.lastDif == -2147483648 ? this.yval : this.yval + this.lastDif); -return this.yval; -}if (this.difVal != -2147483648) { -this.yval += this.difVal; -this.lastDif = this.difVal; -this.difVal = -2147483648; -return this.yval; -}if (this.ich == this.lineLen) return NaN; -var ch = this.line.charAt (this.ich); -if (this.debugging) JU.Logger.info ("" + ch); +var ch = '\u0000'; +while (this.ich < this.lineLen && JSV.source.JDXDecompressor.actions[(ch = this.line.charAt (this.ich++)).charCodeAt (0)] == 0) { +} +return ch; +}); +Clazz.defineMethod (c$, "readSignedFloat", + function () { +var ich0 = this.ich; +var ch = '\u0000'; +while (this.ich < this.lineLen && " ,\t\n".indexOf (ch = this.line.charAt (this.ich)) >= 0) this.ich++; + +var factor = 1; switch (ch) { -case '%': -this.difVal = 0; +case '-': +factor = -1; +case '+': +ich0 = ++this.ich; break; +} +if (this.scanToNonnumeric () == 'E' && this.ich + 3 < this.lineLen) { +switch (this.line.charAt (this.ich + 1)) { +case '-': +case '+': +this.ich += 4; +if (this.ich < this.lineLen && (ch = this.line.charAt (this.ich)) >= '0' && ch <= '9') this.ich++; +break; +} +}return factor * Double.parseDouble (this.line.substring (ich0, this.ich)); +}); +Clazz.defineMethod (c$, "getDuplicate", + function (yval) { +this.dupCount--; +return (this.isDIF ? yval + this.lastDif : yval); +}, "~N"); +Clazz.defineMethod (c$, "readNextInteger", + function (n) { +var c = String.fromCharCode (0); +while (this.ich < this.lineLen && (c = this.line.charAt (this.ich)) >= '0' && c <= '9') { +n = n * 10 + (n < 0 ? 48 - c.charCodeAt (0) : c.charCodeAt (0) - 48); +this.ich++; +} +return n; +}, "~N"); +Clazz.defineMethod (c$, "readNextSqueezedNumber", + function (ch) { +var ich0 = this.ich; +this.scanToNonnumeric (); +return Double.parseDouble ((ch.charCodeAt (0) > 0x60 ? 0x60 - ch.charCodeAt (0) : ch.charCodeAt (0) - 0x40) + this.line.substring (ich0, this.ich)); +}, "~S"); +Clazz.defineMethod (c$, "scanToNonnumeric", + function () { +var ch = String.fromCharCode (0); +while (this.ich < this.lineLen && ((ch = this.line.charAt (this.ich)) == '.' || ch >= '0' && ch <= '9')) this.ich++; + +return (this.ich < this.lineLen ? ch : '\0'); +}); +Clazz.defineMethod (c$, "getNPointsFound", +function () { +return this.nptsFound; +}); +Clazz.overrideMethod (c$, "hasNext", +function () { +return (this.ich < this.lineLen || this.dupCount > 0); +}); +Clazz.overrideMethod (c$, "next", +function () { +return (this.hasNext () ? Double.$valueOf (this.lastY = this.nextValue (this.lastY)) : null); +}); +Clazz.overrideMethod (c$, "remove", +function () { +}); +Clazz.defineStatics (c$, +"delimiters", " ,\t\n", +"actions", Clazz.newIntArray (255, 0), +"ACTION_INVALID", -1, +"ACTION_UNKNOWN", 0, +"ACTION_DIF", 1, +"ACTION_DUP", 2, +"ACTION_SQZ", 3, +"ACTION_NUMERIC", 4, +"INVALID_Y", 1.7976931348623157E308); +{ +for (var i = 0x25; i <= 0x73; i++) { +var c = String.fromCharCode (i); +switch (c) { +case '%': case 'J': case 'K': case 'L': @@ -146,8 +271,6 @@ case 'O': case 'P': case 'Q': case 'R': -this.difVal = ch.charCodeAt (0) - 73; -break; case 'j': case 'k': case 'l': @@ -157,20 +280,7 @@ case 'o': case 'p': case 'q': case 'r': -this.difVal = 105 - ch.charCodeAt (0); -break; -case 'S': -case 'T': -case 'U': -case 'V': -case 'W': -case 'X': -case 'Y': -case 'Z': -this.dupCount = ch.charCodeAt (0) - 82; -break; -case 's': -this.dupCount = 9; +JSV.source.JDXDecompressor.actions[i] = 1; break; case '+': case '-': @@ -185,68 +295,11 @@ case '6': case '7': case '8': case '9': -case '@': -case 'A': -case 'B': -case 'C': -case 'D': -case 'E': -case 'F': -case 'G': -case 'H': -case 'I': -case 'a': -case 'b': -case 'c': -case 'd': -case 'e': -case 'f': -case 'g': -case 'h': -case 'i': -this.lastDif = -2147483648; -return this.getValue (); +JSV.source.JDXDecompressor.actions[i] = 4; +break; case '?': -this.lastDif = -2147483648; -return NaN; -default: -this.ich++; -this.lastDif = -2147483648; -return this.getYValue (); -} -this.ich++; -if (this.difVal != -2147483648) this.difVal = this.getDifDup (this.difVal); - else this.dupCount = this.getDifDup (this.dupCount) - 1; -return this.getYValue (); -}); -Clazz.defineMethod (c$, "getDifDup", - function (i) { -var ich0 = this.ich; -this.next (); -var s = i + this.line.substring (ich0, this.ich); -return (ich0 == this.ich ? i : Integer.$valueOf (s).intValue ()); -}, "~N"); -Clazz.defineMethod (c$, "getValue", - function () { -var ich0 = this.ich; -if (this.ich == this.lineLen) return NaN; -var ch = this.line.charAt (this.ich); -var leader = 0; -switch (ch) { -case '+': -case '-': -case '.': -case '0': -case '1': -case '2': -case '3': -case '4': -case '5': -case '6': -case '7': -case '8': -case '9': -return this.getValueDelim (); +JSV.source.JDXDecompressor.actions[i] = -1; +break; case '@': case 'A': case 'B': @@ -257,9 +310,6 @@ case 'F': case 'G': case 'H': case 'I': -leader = ch.charCodeAt (0) - 64; -ich0 = ++this.ich; -break; case 'a': case 'b': case 'c': @@ -269,50 +319,19 @@ case 'f': case 'g': case 'h': case 'i': -leader = 96 - ch.charCodeAt (0); -ich0 = ++this.ich; +JSV.source.JDXDecompressor.actions[i] = 3; break; -default: -this.ich++; -return this.getValue (); -} -this.next (); -return Double.$valueOf (leader + this.line.substring (ich0, this.ich)).doubleValue (); -}); -Clazz.defineMethod (c$, "getValueDelim", - function () { -var ich0 = this.ich; -var ch = '\u0000'; -while (this.ich < this.lineLen && " ,\t\n".indexOf (ch = this.line.charAt (this.ich)) >= 0) this.ich++; - -var factor = 1; -switch (ch) { -case '-': -factor = -1; -case '+': -ich0 = ++this.ich; +case 'S': +case 'T': +case 'U': +case 'V': +case 'W': +case 'X': +case 'Y': +case 'Z': +case 's': +JSV.source.JDXDecompressor.actions[i] = 2; break; } -ch = this.next (); -if (ch == 'E' && this.ich + 3 < this.lineLen) switch (this.line.charAt (this.ich + 1)) { -case '-': -case '+': -this.ich += 4; -if (this.ich < this.lineLen && (ch = this.line.charAt (this.ich)) >= '0' && ch <= '9') this.ich++; -break; } -return factor * ((Double.$valueOf (this.line.substring (ich0, this.ich))).doubleValue ()); -}); -Clazz.defineMethod (c$, "next", - function () { -while (this.ich < this.lineLen && "+-%@ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrs? ,\t\n".indexOf (this.line.charAt (this.ich)) < 0) this.ich++; - -return (this.ich == this.lineLen ? '\0' : this.line.charAt (this.ich)); -}); -Clazz.defineMethod (c$, "testAlgorithm", - function () { -}); -Clazz.defineStatics (c$, -"allDelim", "+-%@ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrs? ,\t\n", -"WHITE_SPACE", " ,\t\n"); -}); +}}); diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXDecompressorTest.js b/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXDecompressorTest.js new file mode 100644 index 00000000..ec3260c2 --- /dev/null +++ b/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXDecompressorTest.js @@ -0,0 +1,71 @@ +Clazz.declarePackage ("JSV.source"); +Clazz.load (null, "JSV.source.JDXDecompressorTest", ["JSV.source.JDXDecompressor"], function () { +c$ = Clazz.declareType (JSV.source, "JDXDecompressorTest"); +c$.main = Clazz.defineMethod (c$, "main", +function (args) { +for (var i = 0; i < 6; i++) { +JSV.source.JDXDecompressorTest.testRun (i); +} +}, "~A"); +c$.testRun = Clazz.defineMethod (c$, "testRun", + function (t) { +var d = new JSV.source.JDXDecompressor (JSV.source.JDXDecompressorTest.testLines[t], 0); +var i = 0; +while (d.hasNext ()) { +var v = d.next ().doubleValue (); +var vr = JSV.source.JDXDecompressorTest.testResults[t][i++]; +var isOK = (v == vr); +if (!isOK) { +System.err.println ("test " + t + " failed " + i + ": " + v + " != " + vr); +return; +}} +System.out.println ("test " + t + " OK"); +}, "~N"); +c$.testCreate = Clazz.defineMethod (c$, "testCreate", +function (t) { +var d = new JSV.source.JDXDecompressor (JSV.source.JDXDecompressorTest.testLines[t], 0); +var n = 1; +System.out.println ("new double[] {"); +while (d.hasNext ()) { +System.out.print (d.next () + ","); +if ((++n % 5) == 0) System.out.println (); +} +System.out.println ("\n},"); +}, "~N"); +c$.testDemo = Clazz.defineMethod (c$, "testDemo", +function (args) { +var line; +var x; +var xexp; +var dx; +var yexp; +if (args.length == 0) { +line = JSV.source.JDXDecompressorTest.testLines[JSV.source.JDXDecompressorTest.testIndex]; +var data = JSV.source.JDXDecompressorTest.testData[JSV.source.JDXDecompressorTest.testIndex]; +x = data[0]; +dx = data[1]; +xexp = data[2]; +yexp = data[3]; +} else { +line = args[0]; +x = 0; +dx = 1; +xexp = -1; +yexp = NaN; +}var d = new JSV.source.JDXDecompressor (line, 0); +var n = 0; +while (d.hasNext ()) { +var s = line.substring (d.ich); +if (n > 0) x += dx; +System.out.println ((++n) + " " + x + " " + d.next () + " " + s); +} +if (xexp >= 0) System.out.println ("expected x " + xexp + " final x " + x + " expected y " + yexp + " final y " + d.lastY); +}, "~A"); +c$.testLines = c$.prototype.testLines = Clazz.newArray (-1, ["1JT%jX", "D7m9jNOj9RjLmoPKLMj4oJ8j7PJT%olJ3MnJj2J0j7MQpJ9j3j0TJ0J2j3PKmJ2KJ4Ok2J4Mk", "A4j5lqkJ4rNj0J6j3JTpPqPNj6K0%j1J1lnJ8k3Pj1%J3j8J6J2j0J%Jj1Pkj1RJ5nj2OnjJJ3", "Ak8K1MPj4Nj2RJQoKnJ0j8J5mQl4L0j5J7k2NJMTJ1noLNj0KkqLmJ7Lk3MJ7p%qoLJ3nRjoJQ", "b2TJ2j7Nj0J8jpLOlOj2Jj0RJ5pmqJ1lpJ1pPjKJjkPj2MjJ2j2Qj2k3L4qnJ4prmRKmoJ6J5r", "I82314Q00sQ01Q00S2J85%W3A000100"]); +Clazz.defineStatics (c$, +"testResults", Clazz.newArray (-1, [ Clazz.newDoubleArray (-1, [1.0, 2.0, 3.0, 3.0, 2.0, 1.0, 0.0, -1.0, -2.0, -3.0]), Clazz.newDoubleArray (-1, [47.0, -2.0, -3.0, 2.0, 8.0, -11.0, -2.0, -3.0, 0.0, -4.0, -10.0, -3.0, -1.0, 2.0, 6.0, -8.0, -14.0, 4.0, -13.0, -6.0, -5.0, -4.0, -4.0, -10.0, -13.0, 0.0, 4.0, -1.0, 0.0, -12.0, -2.0, -19.0, -15.0, -7.0, -14.0, 5.0, -8.0, -18.0, -28.0, -18.0, -6.0, -19.0, -12.0, -10.0, -14.0, -2.0, 0.0, 14.0, 20.0, -2.0, 12.0, 16.0, 14.0]), Clazz.newDoubleArray (-1, [14.0, -1.0, -4.0, -12.0, -14.0, 0.0, -9.0, -4.0, -14.0, 2.0, -11.0, -10.0, -9.0, -16.0, -9.0, -17.0, -10.0, -5.0, -21.0, -1.0, -1.0, -12.0, -1.0, -4.0, -9.0, 9.0, -14.0, -7.0, -18.0, -18.0, -5.0, -23.0, -7.0, 5.0, -5.0, -4.0, -4.0, -3.0, -14.0, -7.0, -9.0, -20.0, -11.0, 4.0, -1.0, -13.0, -7.0, -12.0, -13.0, -12.0, 1.0]), Clazz.newDoubleArray (-1, [1.0, -27.0, -6.0, -2.0, 5.0, -9.0, -4.0, -16.0, -7.0, -6.0, 2.0, -4.0, -2.0, -7.0, 3.0, -15.0, 0.0, -4.0, 4.0, -30.0, 0.0, -15.0, 2.0, -20.0, -15.0, -14.0, -10.0, -6.0, 5.0, 0.0, -6.0, -3.0, 2.0, -8.0, -6.0, -8.0, -16.0, -13.0, -17.0, 0.0, 3.0, -20.0, -16.0, 1.0, -6.0, -6.0, -14.0, -20.0, -17.0, -4.0, -9.0, 0.0, -1.0, -7.0, -6.0, 2.0]), Clazz.newDoubleArray (-1, [-22.0, -22.0, -10.0, -27.0, -22.0, -32.0, -14.0, -15.0, -22.0, -19.0, -13.0, -16.0, -10.0, -22.0, -21.0, -31.0, -22.0, -7.0, -14.0, -18.0, -26.0, -15.0, -18.0, -25.0, -14.0, -21.0, -14.0, -15.0, -13.0, -12.0, -13.0, -15.0, -8.0, -20.0, -16.0, -17.0, -5.0, -17.0, -9.0, -21.0, -44.0, -10.0, -18.0, -23.0, -9.0, -16.0, -25.0, -29.0, -20.0, -18.0, -22.0, -28.0, -12.0, 3.0, -6.0]), Clazz.newDoubleArray (-1, [982314.0, 983114.0, 983914.0, 984714.0, 985514.0, 986314.0, 987114.0, 987914.0, 988714.0, 989514.0, 990315.0, 991115.0, 991915.0, 992715.0, 993515.0, 994315.0, 995115.0, 995915.0, 996715.0, 997515.0, 998315.0, 999115.0, 999915.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0, 1000100.0])]), +"dx5", -1.1069014507253627); +c$.testData = c$.prototype.testData = Clazz.newArray (-1, [ Clazz.newDoubleArray (-1, [0, 1, 10, -3]), Clazz.newDoubleArray (-1, [8191, -1, 8139, 14]), Clazz.newDoubleArray (-1, [8139, -1, 8089, 1]), Clazz.newDoubleArray (-1, [8089, -1, 8034, 2]), Clazz.newDoubleArray (-1, [6142, -1, 6088, -9]), Clazz.newDoubleArray (-1, [1374.2821, JSV.source.JDXDecompressorTest.dx5, 1287.9438 - JSV.source.JDXDecompressorTest.dx5, 1000100])]); +Clazz.defineStatics (c$, +"testIndex", 5); +}); diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXReader.js b/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXReader.js index 1cffa78b..3e828c7a 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXReader.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXReader.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JSV.source"); -Clazz.load (["J.api.JmolJDXMOLReader"], "JSV.source.JDXReader", ["java.io.BufferedReader", "$.InputStream", "$.StringReader", "java.lang.Double", "$.Float", "java.util.Hashtable", "$.StringTokenizer", "JU.AU", "$.Lst", "$.PT", "$.SB", "JSV.api.JSVZipReader", "JSV.common.Coordinate", "$.JSVFileManager", "$.JSViewer", "$.PeakInfo", "$.Spectrum", "JSV.exception.JSVException", "JSV.source.JDXDecompressor", "$.JDXSource", "$.JDXSourceStreamTokenizer", "JU.Logger"], function () { +Clazz.load (["J.api.JmolJDXMOLReader"], "JSV.source.JDXReader", ["java.io.BufferedReader", "$.InputStream", "$.StringReader", "java.lang.Double", "$.Float", "java.util.Hashtable", "$.LinkedHashMap", "$.StringTokenizer", "javajs.api.Interface", "JU.AU", "$.Lst", "$.PT", "$.Rdr", "$.SB", "JSV.api.JSVZipReader", "JSV.common.Coordinate", "$.JSVFileManager", "$.JSViewer", "$.PeakInfo", "$.Spectrum", "JSV.exception.JSVException", "JSV.source.JDXDecompressor", "$.JDXSource", "$.JDXSourceStreamTokenizer", "JU.Logger"], function () { c$ = Clazz.decorateAsClass (function () { this.nmrMaxY = NaN; this.source = null; @@ -11,6 +11,9 @@ this.isZipFile = false; this.filePath = null; this.loadImaginary = true; this.isSimulation = false; +this.ignoreShiftReference = false; +this.ignorePeakTables = false; +this.lastErrPath = null; this.isTabularData = false; this.firstSpec = 0; this.lastSpec = 0; @@ -43,13 +46,33 @@ this.loadImaginary = loadImaginary; }, "~S,~B,~B,~N,~N,~N"); c$.createJDXSourceFromStream = Clazz.defineMethod (c$, "createJDXSourceFromStream", function ($in, obscure, loadImaginary, nmrMaxY) { -return JSV.source.JDXReader.createJDXSource ($in, "stream", obscure, loadImaginary, -1, -1, nmrMaxY); +return JSV.source.JDXReader.createJDXSource (null, $in, "stream", obscure, loadImaginary, -1, -1, nmrMaxY); }, "java.io.InputStream,~B,~B,~N"); +c$.getHeaderMap = Clazz.defineMethod (c$, "getHeaderMap", +function ($in, map) { +return JSV.source.JDXReader.getHeaderMapS ($in, map, null); +}, "java.io.InputStream,java.util.Map"); +c$.getHeaderMapS = Clazz.defineMethod (c$, "getHeaderMapS", +function ($in, map, suffix) { +if (map == null) map = new java.util.LinkedHashMap (); +var hlist = JSV.source.JDXReader.createJDXSource (null, $in, null, false, false, 0, -1, 0).getJDXSpectrum (0).headerTable; +for (var i = 0, n = hlist.size (); i < n; i++) { +var h = hlist.get (i); +map.put ((suffix == null ? h[2] : h[2] + suffix), h[1]); +} +return map; +}, "java.io.InputStream,java.util.Map,~S"); c$.createJDXSource = Clazz.defineMethod (c$, "createJDXSource", -function ($in, filePath, obscure, loadImaginary, iSpecFirst, iSpecLast, nmrMaxY) { +function (file, $in, filePath, obscure, loadImaginary, iSpecFirst, iSpecLast, nmrMaxY) { +var isHeaderOnly = (iSpecLast < iSpecFirst); var data = null; var br; -if (Clazz.instanceOf ($in, String) || JU.AU.isAB ($in)) { +var bytes = null; +if (JU.AU.isAB ($in)) { +bytes = $in; +if (JU.Rdr.isZipB (bytes)) { +return JSV.source.JDXReader.readBrukerFileZip (bytes, file == null ? filePath : file.getFullPath ()); +}}if (Clazz.instanceOf ($in, String) || bytes != null) { if (Clazz.instanceOf ($in, String)) data = $in; br = JSV.common.JSVFileManager.getBufferedReaderForStringOrBytes ($in); } else if (Clazz.instanceOf ($in, java.io.InputStream)) { @@ -57,43 +80,61 @@ br = JSV.common.JSVFileManager.getBufferedReaderForInputStream ($in); } else { br = $in; }var header = null; +var source = null; try { -if (br == null) br = JSV.common.JSVFileManager.getBufferedReaderFromName (filePath, "##TITLE"); +if (br == null) { +if (file != null && file.isDirectory ()) return JSV.source.JDXReader.readBrukerFileDir (file.getFullPath ()); +br = JSV.common.JSVFileManager.getBufferedReaderFromName (filePath, "##TITLE"); +}if (!isHeaderOnly) { br.mark (400); var chs = Clazz.newCharArray (400, '\0'); br.read (chs, 0, 400); br.reset (); header = String.instantialize (chs); -var source = null; -var pt1 = header.indexOf ('#'); +if (header.startsWith ("PK")) { +br.close (); +return JSV.source.JDXReader.readBrukerFileZip (null, file.getFullPath ()); +}if (header.indexOf ('\0') >= 0 || header.indexOf ('\uFFFD') >= 0 || header.indexOf ("##TITLE= Parameter file") == 0 || header.indexOf ("##TITLE= Audit trail") == 0) { +br.close (); +return JSV.source.JDXReader.readBrukerFileDir (file.getParentAsFile ().getFullPath ()); +}var pt1 = header.indexOf ('#'); var pt2 = header.indexOf ('<'); if (pt1 < 0 || pt2 >= 0 && pt2 < pt1) { var xmlType = header.toLowerCase (); xmlType = (xmlType.contains (""); +break; +}continue; +}if (!isHeaderOnly) { +if (label.equals ("##DATATYPE") && value.toUpperCase ().equals ("LINK")) { this.getBlockSpectra (dataLDRTable); spectrum = null; continue; @@ -122,16 +167,36 @@ continue; this.getNTupleSpectra (dataLDRTable, spectrum, label); spectrum = null; continue; +}}if (label.equals ("##JCAMPDX")) { +this.setVenderSpecificValues (this.t.rawLine); }if (spectrum == null) spectrum = new JSV.common.Spectrum (); -if (this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure)) continue; -JSV.source.JDXReader.addHeader (dataLDRTable, this.t.rawLabel, value); -if (this.checkCustomTags (spectrum, label, value)) continue; +this.processLabel (spectrum, dataLDRTable, label, value, isHeaderOnly); } +if (isHeaderOnly && spectrum != null) this.addSpectrum (spectrum, false); } if (!isOK) throw new JSV.exception.JSVException ("##TITLE record not found"); this.source.setErrorLog (this.errorLog.toString ()); return this.source; -}, "~O"); +}, "~O,~B"); +Clazz.defineMethod (c$, "processLabel", + function (spectrum, dataLDRTable, label, value, isHeaderOnly) { +if (!this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure, isHeaderOnly) && !isHeaderOnly) return; +JSV.source.JDXReader.addHeader (dataLDRTable, this.t.rawLabel, value); +if (!isHeaderOnly) this.checkCustomTags (spectrum, label, value); +}, "JSV.common.Spectrum,JU.Lst,~S,~S,~B"); +Clazz.defineMethod (c$, "logError", + function (err) { +this.errorLog.append (this.filePath == null || this.filePath.equals (this.lastErrPath) ? "" : this.filePath).append ("\n").append (err).append ("\n"); +this.lastErrPath = this.filePath; +}, "~S"); +Clazz.defineMethod (c$, "setVenderSpecificValues", + function (rawLine) { +if (rawLine.indexOf ("JEOL") >= 0) { +System.out.println ("Skipping ##SHIFTREFERENCE for JEOL " + rawLine); +this.ignoreShiftReference = true; +}if (rawLine.indexOf ("MestReNova") >= 0) { +this.ignorePeakTables = true; +}}, "~S"); Clazz.defineMethod (c$, "getValue", function (label) { var value = (this.isTabularDataLabel (label) ? "" : this.t.getValue ()); @@ -161,8 +226,8 @@ throw e; } } }if (this.acdMolFile != null) JSV.common.JSVFileManager.cachePut ("mol", this.acdMolFile); -}if (!Float.isNaN (this.nmrMaxY)) spectrum.doNormalize (this.nmrMaxY); - else if (spectrum.getMaxY () >= 10000) spectrum.doNormalize (1000); +}if (!Float.isNaN (this.nmrMaxY)) spectrum.normalizeSimulation (this.nmrMaxY); + else if (spectrum.getMaxY () >= 10000) spectrum.normalizeSimulation (1000); if (this.isSimulation) spectrum.setSimulated (this.filePath); this.nSpec++; if (this.firstSpec > 0 && this.nSpec < this.firstSpec) return true; @@ -193,7 +258,7 @@ this.source.isCompoundSource = true; var dataLDRTable; var spectrum = new JSV.common.Spectrum (); dataLDRTable = new JU.Lst (); -this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure); +this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure, false); try { var tmp; while ((tmp = this.t.getLabel ()) != null) { @@ -202,14 +267,18 @@ JU.Logger.debug ("##END= " + this.t.getValue ()); break; }label = tmp; if (this.isTabularData) { -this.setTabularDataType (spectrum, label); -if (!this.processTabularData (spectrum, dataLDRTable)) throw new JSV.exception.JSVException ("Unable to read Block Source"); +this.processTabularData (spectrum, dataLDRTable, label, false); continue; -}if (label.equals ("##DATATYPE") && value.toUpperCase ().equals ("LINK")) { +}if (label.equals ("##DATATYPE")) { +if (value.toUpperCase ().equals ("LINK")) { this.getBlockSpectra (dataLDRTable); spectrum = null; label = null; -} else if (label.equals ("##NTUPLES") || label.equals ("##VARNAME")) { +} else if (value.toUpperCase ().startsWith ("NMR PEAK")) { +if (this.ignorePeakTables) { +this.done = true; +return this.source; +}}} else if (label.equals ("##NTUPLES") || label.equals ("##VARNAME")) { this.getNTupleSpectra (dataLDRTable, spectrum, label); spectrum = null; label = ""; @@ -226,12 +295,11 @@ if (spectrum.getXYCoords ().length > 0 && !this.addSpectrum (spectrum, forceSub) spectrum = new JSV.common.Spectrum (); dataLDRTable = new JU.Lst (); continue; -}if (this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure)) continue; -JSV.source.JDXReader.addHeader (dataLDRTable, this.t.rawLabel, value); -if (this.checkCustomTags (spectrum, label, value)) continue; +}this.processLabel (spectrum, dataLDRTable, label, value, false); } } catch (e) { if (Clazz.exceptionOf (e, Exception)) { +if (!JSV.common.JSViewer.isJS) e.printStackTrace (); throw new JSV.exception.JSVException (e.getMessage ()); } else { throw e; @@ -244,14 +312,14 @@ return this.source; }, "JU.Lst"); Clazz.defineMethod (c$, "addErrorLogSeparator", function () { -if (this.errorLog.length () > 0 && this.errorLog.lastIndexOf ("=====================\n") != this.errorLog.length () - "=====================\n".length) this.errorLog.append ("=====================\n"); +if (this.errorLog.length () > 0 && this.errorLog.lastIndexOf ("=====================\n") != this.errorLog.length () - "=====================\n".length) this.logError ("=====================\n"); }); Clazz.defineMethod (c$, "getNTupleSpectra", function (sourceLDRTable, spectrum0, label) { var minMaxY = Clazz.newDoubleArray (-1, [1.7976931348623157E308, 4.9E-324]); this.blockID = Math.random (); var isOK = true; -if (this.firstSpec > 0) spectrum0.numDim = 1; +if (this.firstSpec > 0) spectrum0.setNumDim (1); var isVARNAME = label.equals ("##VARNAME"); if (!isVARNAME) { label = ""; @@ -289,7 +357,7 @@ spectrum.setTitle (spectrum0.getTitle ()); if (!spectrum.is1D ()) { var pt = page.indexOf ('='); if (pt >= 0) try { -spectrum.setY2D (Double.parseDouble (page.substring (pt + 1).trim ())); +spectrum.setY2D (this.parseAFFN (page.substring (0, pt), page.substring (pt + 1).trim ())); var y2dUnits = page.substring (0, pt).trim (); var i = symbols.indexOf (y2dUnits); if (i >= 0) spectrum.setY2DUnits (nTupleTable.get ("##UNITS").get (i)); @@ -341,115 +409,111 @@ JU.Logger.info ("NTUPLE MIN/MAX Y = " + minMaxY[0] + " " + minMaxY[1]); return this.source; }, "JU.Lst,JSV.source.JDXDataObject,~S"); Clazz.defineMethod (c$, "readDataLabel", - function (spectrum, label, value, errorLog, obscure) { -if (JSV.source.JDXReader.readHeaderLabel (spectrum, label, value, errorLog, obscure)) return true; + function (spectrum, label, value, errorLog, obscure, isHeaderOnly) { +if (!JSV.source.JDXReader.readHeaderLabel (spectrum, label, value, errorLog, obscure)) return false; label += " "; -if (("##MINX ##MINY ##MAXX ##MAXY ##FIRSTY ##DELTAX ##DATACLASS ").indexOf (label) >= 0) return true; +if (("##MINX ##MINY ##MAXX ##MAXY ##FIRSTY ##DELTAX ##DATACLASS ").indexOf (label) >= 0) return false; switch (("##FIRSTX ##LASTX ##NPOINTS ##XFACTOR ##YFACTOR ##XUNITS ##YUNITS ##XLABEL ##YLABEL ##NUMDIM ##OFFSET ").indexOf (label)) { case 0: -spectrum.fileFirstX = Double.parseDouble (value); -return true; +spectrum.fileFirstX = this.parseAFFN (label, value); +return false; case 10: -spectrum.fileLastX = Double.parseDouble (value); -return true; +spectrum.fileLastX = this.parseAFFN (label, value); +return false; case 20: -spectrum.nPointsFile = Integer.parseInt (value); -return true; +spectrum.fileNPoints = Integer.parseInt (value); +return false; case 30: -spectrum.xFactor = Double.parseDouble (value); -return true; +spectrum.setXFactor (this.parseAFFN (label, value)); +return false; case 40: -spectrum.yFactor = Double.parseDouble (value); -return true; +spectrum.yFactor = this.parseAFFN (label, value); +return false; case 50: spectrum.setXUnits (value); -return true; +return false; case 60: spectrum.setYUnits (value); -return true; +return false; case 70: spectrum.setXLabel (value); -return false; +return true; case 80: spectrum.setYLabel (value); -return false; -case 90: -spectrum.numDim = Integer.parseInt (value); return true; +case 90: +spectrum.setNumDim (Integer.parseInt (value)); +return false; case 100: -if (spectrum.shiftRefType != 0) { -if (spectrum.offset == 1.7976931348623157E308) spectrum.offset = Double.parseDouble (value); -spectrum.dataPointNum = 1; -spectrum.shiftRefType = 1; +if (!spectrum.isShiftTypeSpecified ()) { +spectrum.setShiftReference (this.parseAFFN (label, value), 1, 1); }return false; default: -if (label.length < 17) return false; +if (label.length < 17) return true; if (label.equals ("##.OBSERVEFREQUENCY ")) { -spectrum.observedFreq = Double.parseDouble (value); -return true; +spectrum.setObservedFreq (this.parseAFFN (label, value)); +return false; }if (label.equals ("##.OBSERVENUCLEUS ")) { spectrum.setObservedNucleus (value); -return true; -}if ((label.equals ("##$REFERENCEPOINT ")) && (spectrum.shiftRefType != 0)) { -spectrum.offset = Double.parseDouble (value); -spectrum.dataPointNum = 1; -spectrum.shiftRefType = 2; +return false; +}if (label.equals ("##$REFERENCEPOINT ") && !spectrum.isShiftTypeSpecified ()) { +var pt = value.indexOf (" "); +if (pt > 0) value = value.substring (0, pt); +spectrum.setShiftReference (this.parseAFFN (label, value), 1, 2); return false; }if (label.equals ("##.SHIFTREFERENCE ")) { -if (!(spectrum.dataType.toUpperCase ().contains ("SPECTRUM"))) return true; +if (this.ignoreShiftReference || !(spectrum.dataType.toUpperCase ().contains ("SPECTRUM"))) return false; value = JU.PT.replaceAllCharacters (value, ")(", ""); var srt = new java.util.StringTokenizer (value, ","); -if (srt.countTokens () != 4) return true; +if (srt.countTokens () != 4) return false; try { srt.nextToken (); srt.nextToken (); -spectrum.dataPointNum = Integer.parseInt (srt.nextToken ().trim ()); -spectrum.offset = Double.parseDouble (srt.nextToken ().trim ()); +var pt = Integer.parseInt (srt.nextToken ().trim ()); +var shift = this.parseAFFN (label, srt.nextToken ().trim ()); +spectrum.setShiftReference (shift, pt, 0); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { -return true; } else { throw e; } } -if (spectrum.dataPointNum <= 0) spectrum.dataPointNum = 1; -spectrum.shiftRefType = 0; -return true; -}} return false; -}, "JSV.source.JDXDataObject,~S,~S,JU.SB,~B"); +}return true; +} +}, "JSV.source.JDXDataObject,~S,~S,JU.SB,~B,~B"); c$.readHeaderLabel = Clazz.defineMethod (c$, "readHeaderLabel", function (jdxHeader, label, value, errorLog, obscure) { switch (("##TITLE#####JCAMPDX###ORIGIN####OWNER#####DATATYPE##LONGDATE##DATE######TIME####").indexOf (label + "#")) { case 0: jdxHeader.setTitle (obscure || value == null || value.equals ("") ? "Unknown" : value); -return true; +return false; case 10: jdxHeader.jcampdx = value; var version = JU.PT.parseFloat (value); if (version >= 6.0 || Float.isNaN (version)) { -if (errorLog != null) errorLog.append ("Warning: JCAMP-DX version may not be fully supported: " + value + "\n"); -}return true; +if (errorLog != null) errorLog.append ("Warning: JCAMP-DX version may not be fully supported: " + value); +}return false; case 20: jdxHeader.origin = (value != null && !value.equals ("") ? value : "Unknown"); -return true; +return false; case 30: jdxHeader.owner = (value != null && !value.equals ("") ? value : "Unknown"); -return true; +return false; case 40: jdxHeader.dataType = value; -return true; +return false; case 50: jdxHeader.longDate = value; -return true; +return false; case 60: jdxHeader.date = value; -return true; +return false; case 70: jdxHeader.time = value; -return true; -} return false; +} +return true; }, "JSV.source.JDXHeader,~S,~S,JU.SB,~B"); Clazz.defineMethod (c$, "setTabularDataType", function (spectrum, label) { @@ -459,12 +523,13 @@ if (label.equals ("##PEAKASSIGNMENTS")) spectrum.setDataClass ("PEAKASSIGNMENTS" else if (label.equals ("##XYPOINTS")) spectrum.setDataClass ("XYPOINTS"); }, "JSV.source.JDXDataObject,~S"); Clazz.defineMethod (c$, "processTabularData", - function (spec, table) { + function (spec, table, label, isHeaderOnly) { +this.setTabularDataType (spec, label); spec.setHeaderTable (table); if (spec.dataClass.equals ("XYDATA")) { -spec.checkRequiredTokens (); -this.decompressData (spec, null); -return true; +spec.checkJDXRequiredTokens (); +if (!isHeaderOnly) this.decompressData (spec, null); +return; }if (spec.dataClass.equals ("PEAKTABLE") || spec.dataClass.equals ("XYPOINTS")) { spec.setContinuous (spec.dataClass.equals ("XYPOINTS")); try { @@ -476,32 +541,36 @@ throw e; } } var xyCoords; -if (spec.xFactor != 1.7976931348623157E308 && spec.yFactor != 1.7976931348623157E308) xyCoords = JSV.common.Coordinate.parseDSV (this.t.getValue (), spec.xFactor, spec.yFactor); - else xyCoords = JSV.common.Coordinate.parseDSV (this.t.getValue (), 1, 1); -spec.setXYCoords (xyCoords); +if (spec.xFactor != 1.7976931348623157E308 && spec.yFactor != 1.7976931348623157E308) { +var data = this.t.getValue (); +xyCoords = JSV.common.Coordinate.parseDSV (data, spec.xFactor, spec.yFactor); +} else { +xyCoords = JSV.common.Coordinate.parseDSV (this.t.getValue (), 1, 1); +}spec.setXYCoords (xyCoords); var fileDeltaX = JSV.common.Coordinate.deltaX (xyCoords[xyCoords.length - 1].getXVal (), xyCoords[0].getXVal (), xyCoords.length); spec.setIncreasing (fileDeltaX > 0); -return true; -}return false; -}, "JSV.source.JDXDataObject,JU.Lst"); +return; +}throw new JSV.exception.JSVException ("Unable to read JDX file tabular data for line " + this.t.labelLineNo); +}, "JSV.source.JDXDataObject,JU.Lst,~S,~B"); Clazz.defineMethod (c$, "readNTUPLECoords", function (spec, nTupleTable, plotSymbols, minMaxY) { var list; +var label; if (spec.dataClass.equals ("XYDATA")) { list = nTupleTable.get ("##SYMBOL"); var index1 = list.indexOf (plotSymbols[0]); var index2 = list.indexOf (plotSymbols[1]); list = nTupleTable.get ("##VARNAME"); -spec.varName = list.get (index2).toUpperCase (); -list = nTupleTable.get ("##FACTOR"); -spec.xFactor = Double.parseDouble (list.get (index1)); -spec.yFactor = Double.parseDouble (list.get (index2)); -list = nTupleTable.get ("##LAST"); -spec.fileLastX = Double.parseDouble (list.get (index1)); -list = nTupleTable.get ("##FIRST"); -spec.fileFirstX = Double.parseDouble (list.get (index1)); +spec.setVarName (list.get (index2).toUpperCase ()); +list = nTupleTable.get (label = "##FACTOR"); +spec.setXFactor (this.parseAFFN (label, list.get (index1))); +spec.setYFactor (this.parseAFFN (label, list.get (index2))); +list = nTupleTable.get (label = "##LAST"); +spec.fileLastX = this.parseAFFN (label, list.get (index1)); +list = nTupleTable.get (label = "##FIRST"); +spec.fileFirstX = this.parseAFFN (label, list.get (index1)); list = nTupleTable.get ("##VARDIM"); -spec.nPointsFile = Integer.parseInt (list.get (index1)); +spec.fileNPoints = Integer.parseInt (list.get (index1)); list = nTupleTable.get ("##UNITS"); spec.setXUnits (list.get (index1)); spec.setYUnits (list.get (index2)); @@ -524,16 +593,34 @@ spec.setXYCoords (JSV.common.Coordinate.parseDSV (this.t.getValue (), spec.xFact return true; }return false; }, "JSV.source.JDXDataObject,java.util.Map,~A,~A"); +Clazz.defineMethod (c$, "parseAFFN", + function (label, val) { +var pt = val.indexOf ("E"); +if (pt > 0) { +var len = val.length; +var ch; +switch (len - pt) { +case 2: +case 3: +this.logError ("Warning - " + label + " value " + val + " is not of the format xxxE[+/-]nn or xxxE[+/-]nnn (spec. 4.5.3) -- warning only; accepted"); +break; +case 4: +case 5: +if ((ch = val.charAt (pt + 1)) == '+' || ch == '-') break; +default: +this.logError ("Error - " + label + " value " + val + " is not of the format xxxE[+/-]nn or xxxE[+/-]nnn (spec. 4.5.3) -- " + val.substring (pt) + " ignored!"); +val = val.substring (0, pt); +} +}return Double.parseDouble (val); +}, "~S,~S"); Clazz.defineMethod (c$, "decompressData", function (spec, minMaxY) { var errPt = this.errorLog.length (); -var fileDeltaX = JSV.common.Coordinate.deltaX (spec.fileLastX, spec.fileFirstX, spec.nPointsFile); -spec.setIncreasing (fileDeltaX > 0); +spec.setIncreasing (spec.fileLastX > spec.fileFirstX); spec.setContinuous (true); -var decompressor = new JSV.source.JDXDecompressor (this.t, spec.fileFirstX, spec.xFactor, spec.yFactor, fileDeltaX, spec.nPointsFile); -var firstLastX = Clazz.newDoubleArray (2, 0); +var decompressor = new JSV.source.JDXDecompressor (this.t, spec.fileFirstX, spec.fileLastX, spec.xFactor, spec.yFactor, spec.fileNPoints); var t = System.currentTimeMillis (); -var xyCoords = decompressor.decompressData (this.errorLog, firstLastX); +var xyCoords = decompressor.decompressData (this.errorLog); if (JU.Logger.debugging) JU.Logger.debug ("decompression time = " + (System.currentTimeMillis () - t) + " ms"); spec.setXYCoords (xyCoords); var d = decompressor.getMinY (); @@ -541,26 +628,21 @@ if (minMaxY != null) { if (d < minMaxY[0]) minMaxY[0] = d; d = decompressor.getMaxY (); if (d > minMaxY[1]) minMaxY[1] = d; -}var freq = (Double.isNaN (spec.freq2dX) ? spec.observedFreq : spec.freq2dX); -if (spec.offset != 1.7976931348623157E308 && freq != 1.7976931348623157E308 && spec.dataType.toUpperCase ().contains ("SPECTRUM")) { -JSV.common.Coordinate.applyShiftReference (xyCoords, spec.dataPointNum, spec.fileFirstX, spec.fileLastX, spec.offset, freq, spec.shiftRefType); -}if (freq != 1.7976931348623157E308 && spec.getXUnits ().toUpperCase ().equals ("HZ")) { -JSV.common.Coordinate.applyScale (xyCoords, (1.0 / freq), 1); -spec.setXUnits ("PPM"); -spec.setHZtoPPM (true); -}if (this.errorLog.length () != errPt) { -this.errorLog.append (spec.getTitle ()).append ("\n"); -this.errorLog.append ("firstX: " + spec.fileFirstX + " Found " + firstLastX[0] + "\n"); -this.errorLog.append ("lastX from Header " + spec.fileLastX + " Found " + firstLastX[1] + "\n"); -this.errorLog.append ("deltaX from Header " + fileDeltaX + "\n"); -this.errorLog.append ("Number of points in Header " + spec.nPointsFile + " Found " + xyCoords.length + "\n"); +}spec.finalizeCoordinates (); +if (this.errorLog.length () != errPt) { +var fileDeltaX = JSV.common.Coordinate.deltaX (spec.fileLastX, spec.fileFirstX, spec.fileNPoints); +this.logError (spec.getTitle ()); +this.logError ("firstX from Header " + spec.fileFirstX); +this.logError ("lastX from Header " + spec.fileLastX + " Found " + decompressor.lastX); +this.logError ("deltaX from Header " + fileDeltaX); +this.logError ("Number of points in Header " + spec.fileNPoints + " Found " + decompressor.getNPointsFound ()); } else { }if (JU.Logger.debugging) { System.err.println (this.errorLog.toString ()); }}, "JSV.source.JDXDataObject,~A"); c$.addHeader = Clazz.defineMethod (c$, "addHeader", function (table, label, value) { -var entry; +var entry = null; for (var i = 0; i < table.size (); i++) if ((entry = table.get (i))[0].equals (label)) { entry[1] = value; return; @@ -593,7 +675,7 @@ break; case 40: case 50: case 60: -this.acdAssignments = this.mpr.readACDAssignments (spectrum.nPointsFile, pt == 40); +this.acdAssignments = this.mpr.readACDAssignments ((spectrum).fileNPoints, pt == 40); break; } } catch (e) { @@ -616,9 +698,9 @@ function () { return this.reader.readLine (); }); Clazz.overrideMethod (c$, "setSpectrumPeaks", -function (nH, piUnitsX, piUnitsY) { -this.modelSpectrum.setPeakList (this.peakData, piUnitsX, piUnitsY); -if (this.modelSpectrum.isNMR ()) this.modelSpectrum.setNHydrogens (nH); +function (nH, peakXLabel, peakYlabel) { +this.modelSpectrum.setPeakList (this.peakData, peakXLabel, peakYlabel); +if (this.modelSpectrum.isNMR ()) this.modelSpectrum.setHydrogenCount (nH); }, "~N,~S,~S"); Clazz.overrideMethod (c$, "addPeakData", function (info) { diff --git a/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXSourceStreamTokenizer.js b/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXSourceStreamTokenizer.js index 51abdb60..c07ac522 100644 --- a/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXSourceStreamTokenizer.js +++ b/qmpy/web/static/js/jsmol/j2s/JSV/source/JDXSourceStreamTokenizer.js @@ -7,6 +7,7 @@ this.value = null; this.labelLineNo = 0; this.line = null; this.lineNo = 0; +this.rawLine = null; Clazz.instantialize (this, arguments); }, JSV.source, "JDXSourceStreamTokenizer"); Clazz.makeConstructor (c$, @@ -43,6 +44,7 @@ throw e; if (this.line.startsWith ("##")) break; this.line = null; } +this.rawLine = this.line; var pt = this.line.indexOf ("="); if (pt < 0) { if (isGet) JU.Logger.info ("BAD JDX LINE -- no '=' (line " + this.lineNo + "): " + this.line); diff --git a/qmpy/web/static/js/jsmol/j2s/JU/CifDataParser.js b/qmpy/web/static/js/jsmol/j2s/JU/CifDataParser.js index e844fa2f..b7cb1be2 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/CifDataParser.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/CifDataParser.js @@ -299,7 +299,8 @@ key = this.getTokenPeeked (); data = this.getNextToken (); }var iField = JU.CifDataParser.htFields.get (this.fixKey (key)); i = (iField == null ? -1 : iField.intValue ()); -if ((col2key[pt] = i) != -1) this.columnData[key2col[i] = pt] = data; +if ((col2key[pt] = i) == -1) this.columnData[pt] = ""; + else this.columnData[key2col[i] = pt] = data; if ((o = this.peekToken ()) == null || !(Clazz.instanceOf (o, String)) || !(o).startsWith (str0)) break; key = null; } @@ -375,14 +376,31 @@ Clazz.defineMethod (c$, "isQuote", function (ch) { switch (ch) { case '\'': -case '\"': +case '"': case '\1': +case '[': +case ']': return true; } return false; }, "~S"); Clazz.defineMethod (c$, "getQuotedStringOrObject", function (ch) { +switch (ch) { +case '[': +try { +return this.readList (); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +System.out.println ("exception in CifDataParser ; " + e); +} else { +throw e; +} +} +case ']': +this.ich++; +return "]"; +} var ichStart = this.ich; var chClosingQuote = ch; var wasQuote = false; @@ -400,6 +418,29 @@ pt2++; ++this.ich; }return this.str.substring (pt1, pt2); }, "~S"); +Clazz.defineMethod (c$, "readList", +function () { +this.ich++; +var cterm0 = this.cterm; +this.cterm = ']'; +var ns = this.nullString; +this.nullString = null; +var lst = (this.asObject ? new JU.Lst () : null); +var n = 0; +var str = ""; +while (true) { +var value = (this.asObject ? this.getNextTokenObject () : this.getNextToken ()); +if (value == null || value.equals ("]")) break; +if (this.asObject) { +lst.addLast (value); +} else { +if (n++ > 0) str += ","; +str += value; +}} +this.cterm = cterm0; +this.nullString = ns; +return (this.asObject ? lst : "[" + str + "]"); +}); Clazz.defineStatics (c$, "KEY_MAX", 100); c$.htFields = c$.prototype.htFields = new java.util.Hashtable (); diff --git a/qmpy/web/static/js/jsmol/j2s/JU/DF.js b/qmpy/web/static/js/jsmol/j2s/JU/DF.js index 4072bb2b..2bc85da0 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/DF.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/DF.js @@ -13,6 +13,8 @@ return JU.DF.formatDecimal (value, decimalDigits); c$.formatDecimal = Clazz.defineMethod (c$, "formatDecimal", function (value, decimalDigits) { if (decimalDigits == 2147483647 || value == -Infinity || value == Infinity || Float.isNaN (value)) return "" + value; +var isNeg = (value < 0); +if (isNeg) value = -value; var n; if (decimalDigits < 0) { decimalDigits = -decimalDigits; @@ -21,33 +23,29 @@ if (value == 0) return JU.DF.formattingStrings[decimalDigits - 1] + "E+0"; n = 0; var d; if (Math.abs (value) < 1) { -n = 10; -d = value * 1e-10; +n = 100; +d = value * 1e-100; } else { -n = -10; -d = value * 1e10; +n = -100; +d = value * 1e100; }var s = ("" + d).toUpperCase (); -var i = s.indexOf ("E"); -n = JU.PT.parseInt (s.substring (i + 1)) + n; +var i1 = s.indexOf ("E"); var sf; -if (i < 0) { +if (i1 < 0) { sf = "" + value; } else { -var f = JU.PT.parseFloat (s.substring (0, i)); -if (f == 10 || f == -10) { -f /= 10; -n += (n < 0 ? 1 : -1); -}sf = JU.DF.formatDecimal (f, decimalDigits - 1); -}return sf + "E" + (n >= 0 ? "+" : "") + n; +n = JU.PT.parseInt (s.substring (i1 + (s.indexOf ("E+") == i1 ? 2 : 1))) + n; +var f = JU.PT.parseFloat (s.substring (0, i1)); +sf = JU.DF.formatDecimal (f, decimalDigits - 1); +if (sf.startsWith ("10.")) { +sf = JU.DF.formatDecimal (1, decimalDigits - 1); +n++; +}}return (isNeg ? "-" : "") + sf + "E" + (n >= 0 ? "+" : "") + n; }if (decimalDigits >= JU.DF.formattingStrings.length) decimalDigits = JU.DF.formattingStrings.length - 1; var s1 = ("" + value).toUpperCase (); var pt = s1.indexOf ("."); if (pt < 0) return s1 + JU.DF.formattingStrings[decimalDigits].substring (1); -var isNeg = s1.startsWith ("-"); -if (isNeg) { -s1 = s1.substring (1); -pt--; -}var pt1 = s1.indexOf ("E-"); +var pt1 = s1.indexOf ("E-"); if (pt1 > 0) { n = JU.PT.parseInt (s1.substring (pt1 + 1)); s1 = "0." + "0000000000000000000000000000000000000000".substring (0, -n - 1) + s1.substring (0, 1) + s1.substring (2, pt1); @@ -61,7 +59,7 @@ pt = s1.indexOf ("."); }var len = s1.length; var pt2 = decimalDigits + pt + 1; if (pt2 < len && s1.charAt (pt2) >= '5') { -return JU.DF.formatDecimal (value + (isNeg ? -1 : 1) * JU.DF.formatAdds[decimalDigits], decimalDigits); +return JU.DF.formatDecimal ((isNeg ? -1 : 1) * (value + JU.DF.formatAdds[decimalDigits]), decimalDigits); }var s0 = s1.substring (0, (decimalDigits == 0 ? pt : ++pt)); var sb = JU.SB.newS (s0); if (isNeg && s0.equals ("0.") && decimalDigits + 2 <= len && s1.substring (2, 2 + decimalDigits).equals ("0000000000000000000000000000000000000000".substring (0, decimalDigits))) isNeg = false; @@ -79,6 +77,15 @@ var m = str.length - 1; var zero = '0'; while (m >= 0 && str.charAt (m) == zero) m--; +return str.substring (0, m + 1); +}, "~N,~N"); +c$.formatDecimalTrimmed0 = Clazz.defineMethod (c$, "formatDecimalTrimmed0", +function (x, precision) { +var str = JU.DF.formatDecimalDbl (x, precision); +var m = str.length - 1; +var pt = str.indexOf (".") + 1; +while (m > pt && str.charAt (m) == '0') m--; + return str.substring (0, m + 1); }, "~N,~N"); Clazz.defineStatics (c$, diff --git a/qmpy/web/static/js/jsmol/j2s/JU/Edge.js b/qmpy/web/static/js/jsmol/j2s/JU/Edge.js index 4637d54a..f1c77413 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/Edge.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/Edge.js @@ -13,10 +13,18 @@ return JU.Edge.argbsHbondType[argbIndex]; c$.getBondOrderNumberFromOrder = Clazz.defineMethod (c$, "getBondOrderNumberFromOrder", function (order) { order &= -131073; -if (order == 131071 || order == 65535) return "0"; -if (JU.Edge.isOrderH (order) || JU.Edge.isAtropism (order) || (order & 256) != 0) return JU.Edge.EnumBondOrder.SINGLE.number; +switch (order) { +case 131071: +case 65535: +return "0"; +case 1025: +case 1041: +return "1"; +default: +if (JU.Edge.isOrderH (order) || JU.Edge.isAtropism (order) || (order & 256) != 0) return "1"; if ((order & 224) != 0) return (order >> 5) + "." + (order & 0x1F); return JU.Edge.EnumBondOrder.getNumberFromCode (order); +} }, "~N"); c$.getCmlBondOrder = Clazz.defineMethod (c$, "getCmlBondOrder", function (order) { @@ -43,6 +51,10 @@ switch (order) { case 65535: case 131071: return ""; +case 1025: +return "near"; +case 1041: +return "far"; case 32768: return JU.Edge.EnumBondOrder.STRUT.$$name; case 1: @@ -60,7 +72,7 @@ return JU.Edge.EnumBondOrder.getNameFromCode (order); }, "~N"); c$.getAtropismOrder = Clazz.defineMethod (c$, "getAtropismOrder", function (nn, mm) { -return JU.Edge.getAtropismOrder12 (((nn + 1) << 2) + mm + 1); +return JU.Edge.getAtropismOrder12 (((nn) << 2) + mm); }, "~N,~N"); c$.getAtropismOrder12 = Clazz.defineMethod (c$, "getAtropismOrder12", function (nnmm) { @@ -72,7 +84,7 @@ return (order >> (11)) & 0xF; }, "~N"); c$.getAtropismNode = Clazz.defineMethod (c$, "getAtropismNode", function (order, a1, isFirst) { -var i1 = (order >> (11 + (isFirst ? 2 : 0))) & 3; +var i1 = (order >> (11 + (isFirst ? 0 : 2))) & 3; return a1.getEdges ()[i1 - 1].getOtherNode (a1); }, "~N,JU.Node,~B"); c$.isAtropism = Clazz.defineMethod (c$, "isAtropism", @@ -138,6 +150,10 @@ throw e; } return order; }, "~S"); +Clazz.overrideMethod (c$, "getBondType", +function () { +return this.order; +}); Clazz.defineMethod (c$, "setCIPChirality", function (c) { }, "~N"); diff --git a/qmpy/web/static/js/jsmol/j2s/JU/Elements.js b/qmpy/web/static/js/jsmol/j2s/JU/Elements.js index d8304864..8ab90795 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/Elements.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/Elements.js @@ -25,6 +25,7 @@ var boxed = Integer.$valueOf (JU.Elements.altElementNumbers[i]); map.put (symbol, boxed); if (symbol.length == 2) map.put (symbol.toUpperCase (), boxed); } +map.put ("Z", Integer.$valueOf (0)); JU.Elements.htElementMap = map; }if (elementSymbol == null) return 0; var boxedAtomicNumber = JU.Elements.htElementMap.get (elementSymbol); diff --git a/qmpy/web/static/js/jsmol/j2s/JU/Escape.js b/qmpy/web/static/js/jsmol/j2s/JU/Escape.js index f804f743..44f04e21 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/Escape.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/Escape.js @@ -48,7 +48,17 @@ if (Clazz.instanceOf (x, JU.T3)) return JU.Escape.eP (x); if (JU.AU.isAP (x)) return JU.Escape.eAP (x); if (JU.AU.isAS (x)) return JU.Escape.eAS (x, true); if (Clazz.instanceOf (x, JU.M34)) return JU.PT.rep (JU.PT.rep (x.toString (), "[\n ", "["), "] ]", "]]"); -if (Clazz.instanceOf (x, JU.A4)) { +if (JU.AU.isAFF (x)) { +var ff = x; +var sb = new JU.SB ().append ("["); +var sep = ""; +for (var i = 0; i < ff.length; i++) { +sb.append (sep).append (JU.Escape.eAF (ff[i])); +sep = ","; +} +sb.append ("]"); +return sb.toString (); +}if (Clazz.instanceOf (x, JU.A4)) { var a = x; return "{" + a.x + " " + a.y + " " + a.z + " " + (a.angle * 180 / 3.141592653589793) + "}"; }if (Clazz.instanceOf (x, JU.Quat)) return (x).toString (); diff --git a/qmpy/web/static/js/jsmol/j2s/JU/GenericApplet.js b/qmpy/web/static/js/jsmol/j2s/JU/GenericApplet.js index f0fdc126..deebba5c 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/GenericApplet.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/GenericApplet.js @@ -251,7 +251,6 @@ if (this.outputBuffer != null && s != null) this.outputBuffer.append (s).appendC }, "~S"); Clazz.overrideMethod (c$, "setCallbackFunction", function (callbackName, callbackFunction) { -if (callbackName.equalsIgnoreCase ("modelkit")) return; if (callbackName.equalsIgnoreCase ("language")) { this.consoleMessage (""); this.consoleMessage (null); diff --git a/qmpy/web/static/js/jsmol/j2s/JU/JmolMolecule.js b/qmpy/web/static/js/jsmol/j2s/JU/JmolMolecule.js index 96d452a3..450e8895 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/JmolMolecule.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/JmolMolecule.js @@ -14,6 +14,7 @@ this.elementNumberMax = 0; this.altElementMax = 0; this.mf = null; this.atomList = null; +this.atNos = null; Clazz.instantialize (this, arguments); }, JU, "JmolMolecule"); Clazz.prepareFields (c$, function () { @@ -33,10 +34,11 @@ var moleculeCount = 0; var molecules = new Array (4); if (bsExclude == null) bsExclude = new JU.BS (); for (var i = 0; i < atoms.length; i++) if (!bsExclude.get (i) && !bsBranch.get (i)) { -if (atoms[i].isDeleted ()) { +var a = atoms[i]; +if (a == null || a.isDeleted ()) { bsExclude.set (i); continue; -}var modelIndex = atoms[i].getModelIndex (); +}var modelIndex = a.getModelIndex (); if (modelIndex != thisModelIndex) { thisModelIndex = modelIndex; indexInModel = 0; @@ -70,19 +72,28 @@ return m.getMolecularFormula (false, wts, isEmpirical); }, "~A,JU.BS,~A,~B"); Clazz.defineMethod (c$, "getMolecularFormula", function (includeMissingHydrogens, wts, isEmpirical) { +return this.getMolecularFormulaImpl (includeMissingHydrogens, wts, isEmpirical); +}, "~B,~A,~B"); +Clazz.defineMethod (c$, "getMolecularFormulaImpl", +function (includeMissingHydrogens, wts, isEmpirical) { if (this.mf != null) return this.mf; if (this.atomList == null) { this.atomList = new JU.BS (); -this.atomList.setBits (0, this.nodes.length); +this.atomList.setBits (0, this.atNos == null ? this.nodes.length : this.atNos.length); }this.elementCounts = Clazz.newIntArray (JU.Elements.elementNumberMax, 0); this.altElementCounts = Clazz.newIntArray (JU.Elements.altElementMax, 0); this.ac = this.atomList.cardinality (); this.nElements = 0; for (var p = 0, i = this.atomList.nextSetBit (0); i >= 0; i = this.atomList.nextSetBit (i + 1), p++) { -var node = this.nodes[i]; +var n; +var node = null; +if (this.atNos == null) { +node = this.nodes[i]; if (node == null) continue; -var n = node.getAtomicAndIsotopeNumber (); -var f = (wts == null ? 1 : Clazz.floatToInt (8 * wts[p])); +n = node.getAtomicAndIsotopeNumber (); +} else { +n = this.atNos[i]; +}var f = (wts == null ? 1 : Clazz.floatToInt (8 * wts[p])); if (n < JU.Elements.elementNumberMax) { if (this.elementCounts[n] == 0) this.nElements++; this.elementCounts[n] += f; diff --git a/qmpy/web/static/js/jsmol/j2s/JU/M4.js b/qmpy/web/static/js/jsmol/j2s/JU/M4.js index b020b160..f92c236f 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/M4.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/M4.js @@ -331,6 +331,12 @@ this.m31 -= m1.m31; this.m32 -= m1.m32; this.m33 -= m1.m33; }, "JU.M4"); +Clazz.defineMethod (c$, "add", +function (pt) { +this.m03 += pt.x; +this.m13 += pt.y; +this.m23 += pt.z; +}, "JU.T3"); Clazz.defineMethod (c$, "transpose", function () { this.transpose33 (); diff --git a/qmpy/web/static/js/jsmol/j2s/JU/OC.js b/qmpy/web/static/js/jsmol/j2s/JU/OC.js index fcad5d5c..28c2b05a 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/OC.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/OC.js @@ -17,28 +17,37 @@ this.bytes = null; this.bigEndian = true; Clazz.instantialize (this, arguments); }, JU, "OC", java.io.OutputStream, javajs.api.GenericOutputChannel); -Clazz.overrideMethod (c$, "isBigEndian", +Clazz.makeConstructor (c$, function () { -return this.bigEndian; +Clazz.superConstructor (this, JU.OC, []); }); -Clazz.defineMethod (c$, "setBigEndian", -function (TF) { -this.bigEndian = TF; -}, "~B"); +Clazz.makeConstructor (c$, +function (fileName) { +Clazz.superConstructor (this, JU.OC, []); +this.setParams (null, fileName, false, null); +}, "~S"); Clazz.defineMethod (c$, "setParams", function (bytePoster, fileName, asWriter, os) { this.bytePoster = bytePoster; -this.fileName = fileName; this.$isBase64 = ";base64,".equals (fileName); if (this.$isBase64) { fileName = null; this.os0 = os; os = null; -}this.os = os; +}this.fileName = fileName; +this.os = os; this.isLocalFile = (fileName != null && !JU.OC.isRemote (fileName)); if (asWriter && !this.$isBase64 && os != null) this.bw = new java.io.BufferedWriter ( new java.io.OutputStreamWriter (os)); return this; }, "javajs.api.BytePoster,~S,~B,java.io.OutputStream"); +Clazz.overrideMethod (c$, "isBigEndian", +function () { +return this.bigEndian; +}); +Clazz.defineMethod (c$, "setBigEndian", +function (TF) { +this.bigEndian = TF; +}, "~B"); Clazz.defineMethod (c$, "setBytes", function (b) { this.bytes = b; @@ -205,8 +214,8 @@ return ret; }var jmol = null; var _function = null; { -jmol = self.J2S || Jmol; _function = (typeof this.fileName == "function" ? -this.fileName : null); +jmol = self.J2S || Jmol; _function = (typeof this.fileName == +"function" ? this.fileName : null); }if (jmol != null) { var data = (this.sb == null ? this.toByteArray () : this.sb.toString ()); if (_function == null) jmol.doAjax (this.fileName, null, data, this.sb == null); @@ -251,13 +260,11 @@ c$.isRemote = Clazz.defineMethod (c$, "isRemote", function (fileName) { if (fileName == null) return false; var itype = JU.OC.urlTypeIndex (fileName); -return (itype >= 0 && itype != 5); +return (itype >= 0 && itype < 4); }, "~S"); c$.isLocal = Clazz.defineMethod (c$, "isLocal", function (fileName) { -if (fileName == null) return false; -var itype = JU.OC.urlTypeIndex (fileName); -return (itype < 0 || itype == 5); +return (fileName != null && !JU.OC.isRemote (fileName)); }, "~S"); c$.urlTypeIndex = Clazz.defineMethod (c$, "urlTypeIndex", function (name) { @@ -286,6 +293,7 @@ function (x) { this.writeInt (x == 0 ? 0 : Float.floatToIntBits (x)); }, "~N"); Clazz.defineStatics (c$, -"urlPrefixes", Clazz.newArray (-1, ["http:", "https:", "sftp:", "ftp:", "cache://", "file:"]), -"URL_LOCAL", 5); +"urlPrefixes", Clazz.newArray (-1, ["http:", "https:", "sftp:", "ftp:", "file:", "cache:"]), +"URL_LOCAL", 4, +"URL_CACHE", 5); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JU/P3.js b/qmpy/web/static/js/jsmol/j2s/JU/P3.js index a42b0daf..eb0bb1a3 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/P3.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/P3.js @@ -21,6 +21,10 @@ p.y = y; p.z = z; return p; }, "~N,~N,~N"); +c$.newA = Clazz.defineMethod (c$, "newA", +function (a) { +return JU.P3.new3 (a[0], a[1], a[2]); +}, "~A"); Clazz.defineStatics (c$, "unlikely", null); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JU/Rdr.js b/qmpy/web/static/js/jsmol/j2s/JU/Rdr.js index 660686ef..7b774966 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/Rdr.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/Rdr.js @@ -19,7 +19,8 @@ return parser.set (null, br, false).getAllCifData (); c$.fixUTF = Clazz.defineMethod (c$, "fixUTF", function (bytes) { var encoding = JU.Rdr.getUTFEncoding (bytes); -if (encoding !== JU.Encoding.NONE) try { +if (encoding !== JU.Encoding.NONE) { +try { var s = String.instantialize (bytes, encoding.name ().$replace ('_', '-')); switch (encoding) { case JU.Encoding.UTF8: @@ -38,7 +39,7 @@ System.out.println (e); throw e; } } -return String.instantialize (bytes); +}return String.instantialize (bytes); }, "~A"); c$.getUTFEncoding = Clazz.defineMethod (c$, "getUTFEncoding", function (bytes) { @@ -131,13 +132,15 @@ return (bytes.length >= 4 && bytes[0] == 0x50 && bytes[1] == 0x4B && bytes[2] == }, "~A"); c$.getMagic = Clazz.defineMethod (c$, "getMagic", function (is, n) { -var abMagic = Clazz.newByteArray (n, 0); +var abMagic = (n > 264 ? Clazz.newByteArray (n, 0) : JU.Rdr.b264 == null ? (JU.Rdr.b264 = Clazz.newByteArray (264, 0)) : JU.Rdr.b264); { is.resetStream(); }try { is.mark (n + 1); -is.read (abMagic, 0, n); -} catch (e) { +var i = is.read (abMagic, 0, n); +if (i < n) { +abMagic[0] = abMagic[257] = 0; +}} catch (e) { if (Clazz.exceptionOf (e, java.io.IOException)) { } else { throw e; @@ -331,6 +334,21 @@ function (fileName) { var pt = fileName.indexOf ("|"); return (pt < 0 ? fileName : fileName.substring (0, pt)); }, "~S"); +c$.isTar = Clazz.defineMethod (c$, "isTar", +function (bis) { +var bytes = JU.Rdr.getMagic (bis, 264); +return (bytes[0] != 0 && (bytes[257] & 0xFF) == 0x75 && (bytes[258] & 0xFF) == 0x73 && (bytes[259] & 0xFF) == 0x74 && (bytes[260] & 0xFF) == 0x61 && (bytes[261] & 0xFF) == 0x72); +}, "java.io.BufferedInputStream"); +c$.streamToBytes = Clazz.defineMethod (c$, "streamToBytes", +function (is) { +var bytes = JU.Rdr.getLimitedStreamBytes (is, -1); +is.close (); +return bytes; +}, "java.io.InputStream"); +c$.streamToString = Clazz.defineMethod (c$, "streamToString", +function (is) { +return String.instantialize (JU.Rdr.streamToBytes (is)); +}, "java.io.InputStream"); Clazz.pu$h(self.c$); c$ = Clazz.decorateAsClass (function () { this.stream = null; @@ -354,4 +372,6 @@ throw e; return this.stream; }); c$ = Clazz.p0p (); +Clazz.defineStatics (c$, +"b264", null); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JU/SimpleUnitCell.js b/qmpy/web/static/js/jsmol/j2s/JU/SimpleUnitCell.js index 9616b035..60b091a5 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/SimpleUnitCell.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/SimpleUnitCell.js @@ -301,14 +301,10 @@ c$.setOabc = Clazz.defineMethod (c$, "setOabc", function (abcabg, params, ucnew) { if (abcabg != null) { if (params == null) params = Clazz.newFloatArray (6, 0); -if (abcabg.indexOf ("=") >= 0) { -var tokens = JU.PT.split (abcabg.$replace (",", " "), "="); -if (tokens.length == 7) { -for (var i = 0; i < 6; i++) if (Float.isNaN (params[i] = JU.PT.parseFloat (tokens[i + 1]))) return null; +var tokens = JU.PT.split (abcabg.$replace (',', '='), "="); +if (tokens.length >= 12) for (var i = 0; i < 6; i++) params[i] = JU.PT.parseFloat (tokens[i * 2 + 1]); -} else { -return null; -}}}if (ucnew == null) return null; +}if (ucnew == null) return null; var f = JU.SimpleUnitCell.newA (params).getUnitCellAsArray (true); ucnew[1].set (f[0], f[1], f[2]); ucnew[2].set (f[3], f[4], f[5]); @@ -336,6 +332,10 @@ minXYZ.z = 0; maxXYZ.z = 1; } }, "~N,JU.P3i,JU.P3i,~N"); +Clazz.overrideMethod (c$, "toString", +function () { +return "[" + this.a + " " + this.b + " " + this.c + " " + this.alpha + " " + this.beta + " " + this.gamma + "]"; +}); Clazz.defineStatics (c$, "toRadians", 0.017453292, "INFO_DIMENSIONS", 6, diff --git a/qmpy/web/static/js/jsmol/j2s/JU/ZipTools.js b/qmpy/web/static/js/jsmol/j2s/JU/ZipTools.js index 7f6fd6e2..ea22c3a8 100644 --- a/qmpy/web/static/js/jsmol/j2s/JU/ZipTools.js +++ b/qmpy/web/static/js/jsmol/j2s/JU/ZipTools.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JU"); -Clazz.load (["javajs.api.GenericZipTools"], "JU.ZipTools", ["java.io.BufferedInputStream", "$.IOException", "java.lang.Boolean", "java.util.zip.CRC32", "$.GZIPInputStream", "$.ZipEntry", "$.ZipInputStream", "javajs.api.GenericZipInputStream", "$.Interface", "$.ZInputStream", "JU.BArray", "$.Lst", "$.PT", "$.Rdr", "$.SB"], function () { +Clazz.load (["javajs.api.GenericZipTools"], "JU.ZipTools", ["java.io.BufferedInputStream", "$.IOException", "java.lang.Boolean", "java.util.zip.CRC32", "$.GZIPInputStream", "$.ZipEntry", "$.ZipInputStream", "javajs.api.GenericZipInputStream", "$.Interface", "JU.BArray", "$.Lst", "$.Rdr", "$.SB"], function () { c$ = Clazz.declareType (JU, "ZipTools", null, javajs.api.GenericZipTools); Clazz.makeConstructor (c$, function () { @@ -10,59 +10,20 @@ return JU.ZipTools.newZIS (is); }, "java.io.InputStream"); c$.newZIS = Clazz.defineMethod (c$, "newZIS", function (is) { -return (Clazz.instanceOf (is, javajs.api.ZInputStream) ? is : Clazz.instanceOf (is, java.io.BufferedInputStream) ? new javajs.api.GenericZipInputStream (is) : new javajs.api.GenericZipInputStream ( new java.io.BufferedInputStream (is))); +return (Clazz.instanceOf (is, java.util.zip.ZipInputStream) ? is : Clazz.instanceOf (is, java.io.BufferedInputStream) ? new javajs.api.GenericZipInputStream (is) : new javajs.api.GenericZipInputStream ( new java.io.BufferedInputStream (is))); }, "java.io.InputStream"); Clazz.overrideMethod (c$, "getAllZipData", function (is, subfileList, name0, binaryFileList, exclude, fileData) { -var zis = JU.ZipTools.newZIS (is); -var ze; -var listing = new JU.SB (); -binaryFileList = "|" + binaryFileList + "|"; -var prefix = JU.PT.join (subfileList, '/', 1); -var prefixd = null; -if (prefix != null) { -prefixd = prefix.substring (0, prefix.indexOf ("/") + 1); -if (prefixd.length == 0) prefixd = null; -}try { -while ((ze = zis.getNextEntry ()) != null) { -var name = ze.getName (); -if (prefix != null && prefixd != null && !(name.equals (prefix) || name.startsWith (prefixd)) || exclude != null && name.contains (exclude)) continue; -listing.append (name).appendC ('\n'); -var sname = "|" + name.substring (name.lastIndexOf ("/") + 1) + "|"; -var asBinaryString = (binaryFileList.indexOf (sname) >= 0); -var bytes = JU.Rdr.getLimitedStreamBytes (zis, ze.getSize ()); -var str; -if (asBinaryString) { -str = this.getBinaryStringForBytes (bytes); -name += ":asBinaryString"; -} else { -str = JU.Rdr.fixUTF (bytes); -}str = "BEGIN Directory Entry " + name + "\n" + str + "\nEND Directory Entry " + name + "\n"; -var key = name0 + "|" + name; -fileData.put (key, str); -} -} catch (e) { -if (Clazz.exceptionOf (e, Exception)) { -} else { -throw e; -} -} -fileData.put ("#Directory_Listing", listing.toString ()); }, "java.io.InputStream,~A,~S,~S,~S,java.util.Map"); -Clazz.defineMethod (c$, "getBinaryStringForBytes", - function (bytes) { -var ret = new JU.SB (); -for (var i = 0; i < bytes.length; i++) ret.append (Integer.toHexString (bytes[i] & 0xFF)).appendC (' '); - -return ret.toString (); -}, "~A"); Clazz.overrideMethod (c$, "getZipFileDirectory", function (bis, list, listPtr, asBufferedInputStream) { var ret; -if (list == null || listPtr >= list.length) return this.getZipDirectoryAsStringAndClose (bis); +var justDir = (list == null || listPtr >= list.length); +var fileName = (justDir ? "." : list[listPtr]); +if (JU.Rdr.isTar (bis)) return JU.ZipTools.getTarFileDirectory (bis, fileName, asBufferedInputStream); +if (justDir) return this.getZipDirectoryAsStringAndClose (bis); bis = JU.Rdr.getPngZipStream (bis, true); -var fileName = list[listPtr]; -var zis = new java.util.zip.ZipInputStream (bis); +var zis = JU.ZipTools.newZIS (bis); var ze; try { var isAll = (fileName.equals (".")); @@ -101,14 +62,37 @@ throw e; } } }, "java.io.BufferedInputStream,~A,~N,~B"); +c$.getTarFileDirectory = Clazz.defineMethod (c$, "getTarFileDirectory", + function (bis, fileName, asBufferedInputStream) { +var ret; +try { +var isAll = (fileName.equals (".")); +if (isAll || fileName.lastIndexOf ("/") == fileName.length - 1) { +ret = new JU.SB (); +JU.ZipTools.getTarContents (bis, fileName, ret); +var str = ret.toString (); +return (asBufferedInputStream ? JU.Rdr.getBIS (str.getBytes ()) : str); +}fileName = fileName.$replace ('\\', '/'); +var bytes = JU.ZipTools.getTarContents (bis, fileName, null); +bis.close (); +return (bytes == null ? "" : asBufferedInputStream ? JU.Rdr.getBIS (bytes) : JU.Rdr.fixUTF (bytes)); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +return ""; +} else { +throw e; +} +} +}, "java.io.BufferedInputStream,~S,~B"); Clazz.overrideMethod (c$, "getZipFileContentsAsBytes", function (bis, list, listPtr) { var ret = Clazz.newByteArray (0, 0); var fileName = list[listPtr]; if (fileName.lastIndexOf ("/") == fileName.length - 1) return ret; try { +if (JU.Rdr.isTar (bis)) return JU.ZipTools.getTarContents (bis, fileName, null); bis = JU.Rdr.getPngZipStream (bis, true); -var zis = new java.util.zip.ZipInputStream (bis); +var zis = JU.ZipTools.newZIS (bis); var ze; while ((ze = zis.getNextEntry ()) != null) { if (!fileName.equals (ze.getName ())) continue; @@ -123,6 +107,48 @@ throw e; } return ret; }, "java.io.BufferedInputStream,~A,~N"); +c$.getTarContents = Clazz.defineMethod (c$, "getTarContents", + function (bis, fileName, sb) { +if (JU.ZipTools.b512 == null) JU.ZipTools.b512 = Clazz.newByteArray (512, 0); +var len = fileName.length; +while (bis.read (JU.ZipTools.b512, 0, 512) > 0) { +var bytes = JU.ZipTools.getTarFile (bis, fileName, len, sb, null, false); +if (bytes != null) return bytes; +} +return null; +}, "java.io.BufferedInputStream,~S,JU.SB"); +c$.getTarFile = Clazz.defineMethod (c$, "getTarFile", + function (bis, fileName, len, sb, cache, oneFile) { +var j = 124; +while (JU.ZipTools.b512[j] == 48) j++; + +var isAll = (sb != null && fileName.equals (".")); +var nbytes = 0; +while (j < 135) nbytes = (nbytes << 3) + (JU.ZipTools.b512[j++] - 48); + +if (nbytes == 0) return null; +var fname = String.instantialize (JU.ZipTools.b512, 0, 100).trim (); +var prefix = String.instantialize (JU.ZipTools.b512, 345, 155).trim (); +var name = prefix + fname; +var found = false; +if (sb != null) { +if (name.length == 0) return null; +if (isAll || (oneFile ? name.equalsIgnoreCase (fileName) : name.startsWith (fileName))) { +found = (cache != null); +sb.append (name).appendC ('\n'); +}len = -1; +}var nul = (512 - (nbytes % 512)) % 512; +if (!found && (len != name.length || !fileName.equals (name))) { +var nBlocks = (nbytes + nul) >> 9; +for (var i = nBlocks; --i >= 0; ) bis.read (JU.ZipTools.b512, 0, 512); + +return null; +}var bytes = JU.Rdr.getLimitedStreamBytes (bis, nbytes); +if (cache != null) { +cache.put (name, new JU.BArray (bytes)); +bis.read (JU.ZipTools.b512, 0, nul); +}return bytes; +}, "java.io.BufferedInputStream,~S,~N,JU.SB,java.util.Map,~B"); Clazz.overrideMethod (c$, "getZipDirectoryAsStringAndClose", function (bis) { var sb = new JU.SB (); @@ -160,7 +186,7 @@ Clazz.defineMethod (c$, "getZipDirectoryOrErrorAndClose", function (bis, manifestID) { bis = JU.Rdr.getPngZipStream (bis, true); var v = new JU.Lst (); -var zis = new java.util.zip.ZipInputStream (bis); +var zis = JU.ZipTools.newZIS (bis); var ze; var manifest = null; while ((ze = zis.getNextEntry ()) != null) { @@ -218,24 +244,27 @@ return crc.getValue (); }, "~A"); Clazz.overrideMethod (c$, "readFileAsMap", function (bis, bdata, name) { +JU.ZipTools.readFileAsMapStatic (bis, bdata, name); +}, "java.io.BufferedInputStream,java.util.Map,~S"); +c$.readFileAsMapStatic = Clazz.defineMethod (c$, "readFileAsMapStatic", + function (bis, bdata, name) { var pt = (name == null ? -1 : name.indexOf ("|")); name = (pt >= 0 ? name.substring (pt + 1) : null); -var bytes = null; try { +var isZip = false; if (JU.Rdr.isPngZipStream (bis)) { var isImage = "_IMAGE_".equals (name); -if (name == null || isImage) { -bytes = JU.ZipTools.getPngImageBytes (bis); -bdata.put ((isImage ? "_DATA_" : "_IMAGE_"), new JU.BArray (bytes)); -}if (!isImage) this.cacheZipContents (bis, name, bdata, true); +if (name == null || isImage) bdata.put ((isImage ? "_DATA_" : "_IMAGE_"), new JU.BArray (JU.ZipTools.getPngImageBytes (bis))); +isZip = !isImage; } else if (JU.Rdr.isZipS (bis)) { -this.cacheZipContents (bis, name, bdata, true); +isZip = true; +} else if (JU.Rdr.isTar (bis)) { +JU.ZipTools.cacheTarContentsStatic (bis, name, bdata); } else if (name == null) { -bytes = JU.Rdr.getLimitedStreamBytes (JU.Rdr.getUnzippedInputStream (this, bis), -1); -bdata.put ("_DATA_", new JU.BArray (bytes)); +bdata.put ("_DATA_", new JU.BArray (JU.Rdr.getLimitedStreamBytes (bis, -1))); } else { throw new java.io.IOException ("ZIP file " + name + " not found"); -}if (bytes != null) bdata.put ("_LEN_", Integer.$valueOf (bytes.length)); +}if (isZip) JU.ZipTools.cacheZipContentsStatic (bis, name, bdata, true); bdata.put ("$_BINARY_$", Boolean.TRUE); } catch (e) { if (Clazz.exceptionOf (e, java.io.IOException)) { @@ -246,32 +275,76 @@ throw e; } } }, "java.io.BufferedInputStream,java.util.Map,~S"); +c$.cacheTarContentsStatic = Clazz.defineMethod (c$, "cacheTarContentsStatic", + function (bis, fileName, cache) { +var listing = new JU.SB (); +var n = 0; +if (fileName != null && fileName.endsWith ("/.")) fileName = fileName.substring (0, fileName.length - 1); +var isPath = (fileName != null && fileName.endsWith ("/")); +var justOne = (fileName != null && !isPath); +try { +if (JU.ZipTools.b512 == null) JU.ZipTools.b512 = Clazz.newByteArray (512, 0); +while (bis.read (JU.ZipTools.b512, 0, 512) > 0) { +var bytes = JU.ZipTools.getTarFile (bis, fileName == null ? "." : fileName, -1, listing, cache, justOne); +if (bytes != null) { +n += bytes.length; +if (justOne) break; +}} +bis.close (); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +try { +bis.close (); +} catch (e1) { +if (Clazz.exceptionOf (e1, java.io.IOException)) { +} else { +throw e1; +} +} +return null; +} else { +throw e; +} +} +if (n == 0 || fileName == null) return null; +System.out.println ("ZipTools cached " + n + " bytes from " + fileName); +return listing.toString (); +}, "java.io.BufferedInputStream,~S,java.util.Map"); Clazz.overrideMethod (c$, "cacheZipContents", function (bis, fileName, cache, asByteArray) { +return JU.ZipTools.cacheZipContentsStatic (bis, fileName, cache, asByteArray); +}, "java.io.BufferedInputStream,~S,java.util.Map,~B"); +c$.cacheZipContentsStatic = Clazz.defineMethod (c$, "cacheZipContentsStatic", + function (bis, fileName, cache, asByteArray) { var zis = JU.ZipTools.newZIS (bis); var ze; var listing = new JU.SB (); var n = 0; -var oneFile = (asByteArray && fileName != null); +if (fileName != null && fileName.endsWith ("/.")) fileName = fileName.substring (0, fileName.length - 1); +var isPath = (fileName != null && fileName.endsWith ("/")); +var oneFile = (fileName != null && !isPath && asByteArray); var pt = (oneFile ? fileName.indexOf ("|") : -1); -var file0 = (pt >= 0 ? fileName : null); +var zipEntryRoot = (pt >= 0 ? fileName : null); if (pt >= 0) fileName = fileName.substring (0, pt); +var prefix = (fileName == null || isPath ? "" : fileName + "|"); try { while ((ze = zis.getNextEntry ()) != null) { +if (ze.isDirectory ()) continue; var name = ze.getName (); if (fileName != null) { if (oneFile) { if (!name.equalsIgnoreCase (fileName)) continue; } else { +if (isPath && !name.startsWith (fileName)) continue; listing.append (name).appendC ('\n'); }}var nBytes = ze.getSize (); var bytes = JU.Rdr.getLimitedStreamBytes (zis, nBytes); -if (file0 != null) { -this.readFileAsMap (JU.Rdr.getBIS (bytes), cache, file0); +if (zipEntryRoot != null) { +JU.ZipTools.readFileAsMapStatic (JU.Rdr.getBIS (bytes), cache, zipEntryRoot); return null; }n += bytes.length; var o = (asByteArray ? new JU.BArray (bytes) : bytes); -cache.put ((oneFile ? "_DATA_" : (fileName == null ? "" : fileName + "|") + name), o); +cache.put ((oneFile ? "_DATA_" : prefix + name), o); if (oneFile) break; } zis.close (); @@ -315,4 +388,6 @@ c$.deActivatePngZipB = Clazz.defineMethod (c$, "deActivatePngZipB", if (JU.Rdr.isPngZipB (bytes)) bytes[51] = 32; return bytes; }, "~A"); +Clazz.defineStatics (c$, +"b512", null); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JV/ActionManager.js b/qmpy/web/static/js/jsmol/j2s/JV/ActionManager.js index 2affbe8f..95bc24c4 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/ActionManager.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/ActionManager.js @@ -592,7 +592,7 @@ break; } if (isBound) { this.dragAtomIndex = this.vwr.findNearestAtomIndexMovable (x, y, true); -if (this.dragAtomIndex >= 0 && (this.apm == 32 || this.apm == 31) && this.vwr.ms.isAtomInLastModel (this.dragAtomIndex)) { +if (this.dragAtomIndex >= 0 && (this.apm == 32 || this.apm == 31)) { if (this.bondPickingMode == 34) { this.vwr.setModelkitProperty ("bondAtomIndex", Integer.$valueOf (this.dragAtomIndex)); }this.enterMeasurementMode (this.dragAtomIndex); diff --git a/qmpy/web/static/js/jsmol/j2s/JV/AnimationManager.js b/qmpy/web/static/js/jsmol/j2s/JV/AnimationManager.js index 167a9ce8..b005073c 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/AnimationManager.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/AnimationManager.js @@ -302,6 +302,14 @@ throw e; } } }, "~N"); +Clazz.defineMethod (c$, "getUnitCellAtomIndex", +function () { +return this.cai; +}); +Clazz.defineMethod (c$, "setUnitCellAtomIndex", +function (iAtom) { +this.cai = iAtom; +}, "~N"); Clazz.defineMethod (c$, "setViewer", function (clearBackgroundModel) { this.vwr.ms.setTrajectory (this.cmi); diff --git a/qmpy/web/static/js/jsmol/j2s/JV/ChimeMessenger.js b/qmpy/web/static/js/jsmol/j2s/JV/ChimeMessenger.js index a261e7dc..08ad4dfd 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/ChimeMessenger.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/ChimeMessenger.js @@ -70,14 +70,16 @@ var id; var lastid = -1; nH = 0; for (var i = ac; --i >= 0; ) { -var isHetero = atoms[i].isHetero (); +var a = atoms[i]; +if (a == null) continue; +var isHetero = a.isHetero (); if (isHetero) nHetero++; -var g = atoms[i].group; +var g = a.group; if (!map.containsKey (g)) { map.put (g, Boolean.TRUE); if (isHetero) ngHetero++; else ng++; -}if (atoms[i].mi == 0) { +}if (a.mi == 0) { if ((id = g.getStrucNo ()) != lastid && id != 0) { lastid = id; switch (g.getProteinStructureType ()) { diff --git a/qmpy/web/static/js/jsmol/j2s/JV/FileManager.js b/qmpy/web/static/js/jsmol/j2s/JV/FileManager.js index 23787588..d8da57a3 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/FileManager.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/FileManager.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JV"); -Clazz.load (["javajs.api.BytePoster", "java.util.Hashtable"], "JV.FileManager", ["java.io.BufferedInputStream", "$.BufferedReader", "java.lang.Boolean", "java.net.URL", "$.URLEncoder", "java.util.Map", "JU.AU", "$.BArray", "$.Base64", "$.LimitedLineReader", "$.Lst", "$.OC", "$.PT", "$.Rdr", "$.SB", "J.api.Interface", "J.io.FileReader", "JS.SV", "JU.Logger", "JV.JC", "$.JmolAsyncException", "$.Viewer"], function () { +Clazz.load (["javajs.api.BytePoster", "java.util.Hashtable"], "JV.FileManager", ["java.io.BufferedInputStream", "$.BufferedReader", "java.lang.Boolean", "java.net.URL", "$.URLEncoder", "java.util.Map", "JU.AU", "$.BArray", "$.Base64", "$.LimitedLineReader", "$.Lst", "$.OC", "$.PT", "$.Rdr", "$.SB", "J.api.Interface", "J.io.FileReader", "JS.SV", "JU.Escape", "$.Logger", "JV.JC", "$.JmolAsyncException", "$.Viewer"], function () { c$ = Clazz.decorateAsClass (function () { this.vwr = null; this.spartanDoc = null; @@ -133,7 +133,6 @@ var fileTypes = new Array (fileNames.length); for (var i = 0; i < fileNames.length; i++) { var pt = fileNames[i].indexOf ("::"); var nameAsGiven = (pt >= 0 ? fileNames[i].substring (pt + 2) : fileNames[i]); -System.out.println (i + " FM " + nameAsGiven); var fileType = (pt >= 0 ? fileNames[i].substring (0, pt) : null); var names = this.getClassifiedName (nameAsGiven, true); if (names.length == 1) return names[0]; @@ -321,19 +320,6 @@ throw e; } } }, "~S"); -Clazz.defineMethod (c$, "getEmbeddedFileState", -function (fileName, allowCached, sptName) { -var dir = this.getZipDirectory (fileName, false, allowCached); -if (dir.length == 0) { -var state = this.vwr.getFileAsString4 (fileName, -1, false, true, false, "file"); -return (state.indexOf ("**** Jmol Embedded Script ****") < 0 ? "" : JV.FileManager.getEmbeddedScript (state)); -}for (var i = 0; i < dir.length; i++) if (dir[i].indexOf (sptName) >= 0) { -var data = Clazz.newArray (-1, [fileName + "|" + dir[i], null]); -this.getFileDataAsString (data, -1, false, false, false); -return data[1]; -} -return ""; -}, "~S,~B,~S"); Clazz.defineMethod (c$, "getFullPathNameOrError", function (filename, getStream, ret) { var names = this.getClassifiedName (JV.JC.fixProtocol (filename), true); @@ -383,7 +369,10 @@ if (Clazz.instanceOf (t, String) || Clazz.instanceOf (t, java.io.BufferedReader) var bis = t; if (JU.Rdr.isGzipS (bis)) bis = JU.Rdr.getUnzippedInputStream (this.vwr.getJzt (), bis); else if (JU.Rdr.isBZip2S (bis)) bis = JU.Rdr.getUnzippedInputStreamBZip2 (this.vwr.getJzt (), bis); -if (forceInputStream && subFileList == null) return bis; +if (JU.Rdr.isTar (bis)) { +var o = this.vwr.getJzt ().getZipFileDirectory (bis, subFileList, 1, forceInputStream); +return (Clazz.instanceOf (o, String) ? JU.Rdr.getBR (o) : o); +}if (forceInputStream && subFileList == null) return bis; if (JU.Rdr.isCompoundDocumentS (bis)) { var doc = J.api.Interface.getInterface ("JU.CompoundDocument", this.vwr, "file"); doc.setDocStream (this.vwr.getJzt (), bis); @@ -417,13 +406,13 @@ var subFileList = null; if (name.indexOf ("|") >= 0) { subFileList = JU.PT.split (name, "|"); name = subFileList[0]; -}var bytes = (subFileList == null ? null : this.getPngjOrDroppedBytes (fullName, name)); +}var bytes = (subFileList != null ? null : this.getPngjOrDroppedBytes (fullName, name)); if (bytes == null) { var t = this.getBufferedInputStreamOrErrorMessageFromName (name, fullName, false, false, null, false, true); if (Clazz.instanceOf (t, String)) return "Error:" + t; try { var bis = t; -bytes = (out != null || subFileList == null || subFileList.length <= 1 || !JU.Rdr.isZipS (bis) && !JU.Rdr.isPngZipStream (bis) ? JU.Rdr.getStreamAsBytes (bis, out) : this.vwr.getJzt ().getZipFileContentsAsBytes (bis, subFileList, 1)); +bytes = (out != null || subFileList == null || subFileList.length <= 1 || !JU.Rdr.isZipS (bis) && !JU.Rdr.isPngZipStream (bis) && !JU.Rdr.isTar (bis) ? JU.Rdr.getStreamAsBytes (bis, out) : this.vwr.getJzt ().getZipFileContentsAsBytes (bis, subFileList, 1)); bis.close (); } catch (ioe) { if (Clazz.exceptionOf (ioe, Exception)) { @@ -518,12 +507,12 @@ bytes = (nameOrBytes).data; } else if (echoName == null || Clazz.instanceOf (nameOrBytes, String)) { var names = this.getClassifiedName (nameOrBytes, true); nameOrError = (names == null ? "cannot read file name: " + nameOrBytes : JV.FileManager.fixDOSName (names[0])); -if (names != null) image = this.getJzu ().getImage (this.vwr, nameOrError, echoName, forceSync); +if (names != null) image = this.getImage (nameOrError, echoName, forceSync); isAsynchronous = (image == null); } else { image = nameOrBytes; }if (bytes != null) { -image = this.getJzu ().getImage (this.vwr, bytes, echoName, true); +image = this.getImage (bytes, echoName, true); isAsynchronous = false; }if (Clazz.instanceOf (image, String)) { nameOrError = image; @@ -532,6 +521,10 @@ image = null; if (!JV.Viewer.isJS || isPopupImage && nameOrError == null || !isPopupImage && image != null) return this.vwr.loadImageData (image, nameOrError, echoName, null); return isAsynchronous; }, "~O,~S,~B"); +Clazz.defineMethod (c$, "getImage", +function (nameOrBytes, echoName, forceSync) { +return this.getJzu ().getImage (this.vwr, nameOrBytes, echoName, forceSync); +}, "~O,~S,~B"); Clazz.defineMethod (c$, "getClassifiedName", function (name, isFullLoad) { if (name == null) return Clazz.newArray (-1, [null]); @@ -584,8 +577,9 @@ names[1] = JV.FileManager.stripPath (names[0]); var name0 = names[0]; names[0] = this.pathForAllFiles + names[1]; JU.Logger.info ("FileManager substituting " + name0 + " --> " + names[0]); -}if (isFullLoad && (file != null || JU.OC.urlTypeIndex (names[0]) == 5)) { -var path = (file == null ? JU.PT.trim (names[0].substring (5), "/") : names[0]); +}if (isFullLoad && JU.OC.isLocal (names[0])) { +var path = names[0]; +if (file == null) path = JU.PT.trim (names[0].substring (names[0].indexOf (":") + 1), "/"); var pt = path.length - names[1].length - 1; if (pt > 0) { path = path.substring (0, pt); @@ -680,28 +674,10 @@ function (name) { var pt = Math.max (name.lastIndexOf ("|"), name.lastIndexOf ("/")); return name.substring (pt + 1); }, "~S"); -c$.determineSurfaceTypeIs = Clazz.defineMethod (c$, "determineSurfaceTypeIs", -function (is) { -var br; -try { -br = JU.Rdr.getBufferedReader ( new java.io.BufferedInputStream (is), "ISO-8859-1"); -} catch (e) { -if (Clazz.exceptionOf (e, java.io.IOException)) { -return null; -} else { -throw e; -} -} -return JV.FileManager.determineSurfaceFileType (br); -}, "java.io.InputStream"); c$.isScriptType = Clazz.defineMethod (c$, "isScriptType", function (fname) { return JU.PT.isOneOf (fname.toLowerCase ().substring (fname.lastIndexOf (".") + 1), ";pse;spt;png;pngj;jmol;zip;"); }, "~S"); -c$.isSurfaceType = Clazz.defineMethod (c$, "isSurfaceType", -function (fname) { -return JU.PT.isOneOf (fname.toLowerCase ().substring (fname.lastIndexOf (".") + 1), ";jvxl;kin;o;msms;map;pmesh;mrc;efvet;cube;obj;dssr;bcif;"); -}, "~S"); c$.determineSurfaceFileType = Clazz.defineMethod (c$, "determineSurfaceFileType", function (bufferedReader) { var line = null; @@ -806,31 +782,21 @@ for (var i = s.length; --i >= 0; ) if (s[i].indexOf (".spt") >= 0) return "|" + }return null; }, "~S"); -c$.getEmbeddedScript = Clazz.defineMethod (c$, "getEmbeddedScript", -function (script) { -if (script == null) return script; -var pt = script.indexOf ("**** Jmol Embedded Script ****"); -if (pt < 0) return script; -var pt1 = script.lastIndexOf ("/*", pt); -var pt2 = script.indexOf ((script.charAt (pt1 + 2) == '*' ? "*" : "") + "*/", pt); -if (pt1 >= 0 && pt2 >= pt) script = script.substring (pt + "**** Jmol Embedded Script ****".length, pt2) + "\n"; -while ((pt1 = script.indexOf (" #Jmol...\u0000")) >= 0) script = script.substring (0, pt1) + script.substring (pt1 + " #Jmol...\u0000".length + 4); - -if (JU.Logger.debugging) JU.Logger.debug (script); -return script; -}, "~S"); c$.getFileReferences = Clazz.defineMethod (c$, "getFileReferences", -function (script, fileList) { +function (script, fileList, fileListUTF) { for (var ipt = 0; ipt < JV.FileManager.scriptFilePrefixes.length; ipt++) { var tag = JV.FileManager.scriptFilePrefixes[ipt]; var i = -1; while ((i = script.indexOf (tag, i + 1)) >= 0) { -var s = JU.PT.getQuotedStringAt (script, i); -if (s.indexOf ("::") >= 0) s = JU.PT.split (s, "::")[1]; +var s = JV.FileManager.stripTypePrefix (JU.PT.getQuotedStringAt (script, i)); +if (s.indexOf ("\\u") >= 0) s = JU.Escape.unescapeUnicode (s); fileList.addLast (s); +if (fileListUTF != null) { +if (s.indexOf ("\\u") >= 0) s = JU.Escape.unescapeUnicode (s); +fileListUTF.addLast (s); +}} } -} -}, "~S,JU.Lst"); +}, "~S,JU.Lst,JU.Lst"); c$.setScriptFileReferences = Clazz.defineMethod (c$, "setScriptFileReferences", function (script, localPath, remotePath, scriptPath) { if (localPath != null) script = JV.FileManager.setScriptFileRefs (script, localPath, true); @@ -850,7 +816,7 @@ c$.setScriptFileRefs = Clazz.defineMethod (c$, "setScriptFileRefs", if (dataPath == null) return script; var noPath = (dataPath.length == 0); var fileNames = new JU.Lst (); -JV.FileManager.getFileReferences (script, fileNames); +JV.FileManager.getFileReferences (script, fileNames, null); var oldFileNames = new JU.Lst (); var newFileNames = new JU.Lst (); var nFiles = fileNames.size (); @@ -969,6 +935,49 @@ throw e; } return (ret == null ? "" : JU.Rdr.fixUTF (ret)); }, "~S,~A"); +c$.isJmolType = Clazz.defineMethod (c$, "isJmolType", +function (type) { +return (type.equals ("PNG") || type.equals ("PNGJ") || type.equals ("JMOL") || type.equals ("ZIP") || type.equals ("ZIPALL")); +}, "~S"); +c$.isEmbeddable = Clazz.defineMethod (c$, "isEmbeddable", +function (type) { +var pt = type.lastIndexOf ('.'); +if (pt >= 0) type = type.substring (pt + 1); +type = type.toUpperCase (); +return (JV.FileManager.isJmolType (type) || JU.PT.isOneOf (type, ";JPG;JPEG;POV;IDTF;")); +}, "~S"); +Clazz.defineMethod (c$, "getEmbeddedFileState", +function (fileName, allowCached, sptName) { +if (!JV.FileManager.isEmbeddable (fileName)) return ""; +var dir = this.getZipDirectory (fileName, false, allowCached); +if (dir.length == 0) { +var state = this.vwr.getFileAsString4 (fileName, -1, false, true, false, "file"); +return (state.indexOf ("**** Jmol Embedded Script ****") < 0 ? "" : JV.FileManager.getEmbeddedScript (state)); +}for (var i = 0; i < dir.length; i++) if (dir[i].indexOf (sptName) >= 0) { +var data = Clazz.newArray (-1, [fileName + "|" + dir[i], null]); +this.getFileDataAsString (data, -1, false, false, false); +return data[1]; +} +return ""; +}, "~S,~B,~S"); +c$.stripTypePrefix = Clazz.defineMethod (c$, "stripTypePrefix", +function (fileName) { +var pt = fileName.indexOf ("::"); +return (pt < 0 || pt >= 20 ? fileName : fileName.substring (pt + 2)); +}, "~S"); +c$.getEmbeddedScript = Clazz.defineMethod (c$, "getEmbeddedScript", +function (s) { +if (s == null) return s; +var pt = s.indexOf ("**** Jmol Embedded Script ****"); +if (pt < 0) return s; +var pt1 = s.lastIndexOf ("/*", pt); +var pt2 = s.indexOf ((s.charAt (pt1 + 2) == '*' ? "*" : "") + "*/", pt); +if (pt1 >= 0 && pt2 >= pt) s = s.substring (pt + "**** Jmol Embedded Script ****".length, pt2) + "\n"; +while ((pt1 = s.indexOf (" #Jmol...\u0000")) >= 0) s = s.substring (0, pt1) + s.substring (pt1 + " #Jmol...\u0000".length + 4); + +if (JU.Logger.debugging) JU.Logger.debug (s); +return s; +}, "~S"); Clazz.defineStatics (c$, "SIMULATION_PROTOCOL", "http://SIMULATION/", "DELPHI_BINARY_MAGIC_NUMBER", "\24\0\0\0", diff --git a/qmpy/web/static/js/jsmol/j2s/JV/GlobalSettings.js b/qmpy/web/static/js/jsmol/j2s/JV/GlobalSettings.js index af134553..3eba52cc 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/GlobalSettings.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/GlobalSettings.js @@ -38,6 +38,8 @@ this.smilesUrlFormat = null; this.nihResolverFormat = null; this.pubChemFormat = null; this.macroDirectory = null; +this.resolverResolver = null; +this.checkCIR = false; this.minBondDistance = 0.4; this.minPixelSelRadius = 6; this.pdbAddHydrogens = false; @@ -55,7 +57,7 @@ this.jmolInJSpecView = true; this.modulateOccupancy = true; this.allowRotateSelected = false; this.allowMoveAtoms = false; -this.solventOn = false; +this.dotSolvent = false; this.defaultAngleLabel = "%VALUE %UNITS"; this.defaultDistanceLabel = "%VALUE %UNITS"; this.defaultTorsionLabel = "%VALUE %UNITS"; @@ -93,7 +95,8 @@ this.partialDots = false; this.bondModeOr = false; this.hbondsBackbone = false; this.hbondsAngleMinimum = 90; -this.hbondsDistanceMaximum = 3.25; +this.hbondNODistanceMaximum = 3.25; +this.hbondHXDistanceMaximum = 2.5; this.hbondsRasmol = true; this.hbondsSolid = false; this.modeMultipleBond = 2; @@ -251,6 +254,13 @@ this.vwr = vwr; this.htNonbooleanParameterValues = new java.util.Hashtable (); this.htBooleanParameterFlags = new java.util.Hashtable (); this.htPropertyFlagsRemoved = new java.util.Hashtable (); +this.loadFormat = this.pdbLoadFormat = JV.JC.databases.get ("pdb"); +this.pdbLoadLigandFormat = JV.JC.databases.get ("ligand"); +this.nmrUrlFormat = JV.JC.databases.get ("nmr"); +this.nmrPredictFormat = JV.JC.databases.get ("nmrdb"); +this.pubChemFormat = JV.JC.databases.get ("pubchem"); +this.resolverResolver = JV.JC.databases.get ("resolverresolver"); +this.macroDirectory = "https://chemapps.stolaf.edu/jmol/macros"; if (g != null) { if (!clearUserVariables) { this.setO ("_pngjFile", g.getParameter ("_pngjFile", false)); @@ -277,14 +287,9 @@ this.testFlag1 = g.testFlag1; this.testFlag2 = g.testFlag2; this.testFlag3 = g.testFlag3; this.testFlag4 = g.testFlag4; -}this.loadFormat = this.pdbLoadFormat = JV.JC.databases.get ("pdb"); -this.pdbLoadLigandFormat = JV.JC.databases.get ("ligand"); -this.nmrUrlFormat = JV.JC.databases.get ("nmr"); -this.nmrPredictFormat = JV.JC.databases.get ("nmrdb"); -this.smilesUrlFormat = JV.JC.databases.get ("nci") + "/file?format=sdf&get3d=true"; -this.nihResolverFormat = JV.JC.databases.get ("nci"); -this.pubChemFormat = JV.JC.databases.get ("pubchem"); -this.macroDirectory = "https://chemapps.stolaf.edu/jmol/macros"; +this.nihResolverFormat = g.nihResolverFormat; +}if (this.nihResolverFormat == null) this.nihResolverFormat = JV.JC.databases.get ("nci"); +this.setCIR (this.nihResolverFormat); for (var item, $item = 0, $$item = J.c.CBK.values (); $item < $$item.length && ((item = $$item[$item]) || true); $item++) this.resetValue (item.name () + "Callback", g); this.setF ("cameraDepth", 3.0); @@ -435,7 +440,8 @@ this.setB ("fractionalRelative", this.fractionalRelative); this.setF ("particleRadius", this.particleRadius); this.setB ("greyscaleRendering", this.greyscaleRendering); this.setF ("hbondsAngleMinimum", this.hbondsAngleMinimum); -this.setF ("hbondsDistanceMaximum", this.hbondsDistanceMaximum); +this.setF ("hbondHXDistanceMaximum", this.hbondHXDistanceMaximum); +this.setF ("hbondsDistanceMaximum", this.hbondNODistanceMaximum); this.setB ("hbondsBackbone", this.hbondsBackbone); this.setB ("hbondsRasmol", this.hbondsRasmol); this.setB ("hbondsSolid", this.hbondsSolid); @@ -530,7 +536,7 @@ this.setO ("macroDirectory", this.macroDirectory); this.setO ("nihResolverFormat", this.nihResolverFormat); this.setO ("pubChemFormat", this.pubChemFormat); this.setB ("showUnitCellDetails", this.showUnitCellDetails); -this.setB ("solventProbe", this.solventOn); +this.setB ("solventProbe", this.dotSolvent); this.setF ("solventProbeRadius", this.solventProbeRadius); this.setB ("ssbondsBackbone", this.ssbondsBackbone); this.setF ("starWidth", this.starWidth); @@ -775,5 +781,14 @@ Clazz.defineMethod (c$, "app", if (cmd.length == 0) return; s.append (" ").append (cmd).append (";\n"); }, "JU.SB,~S"); -c$.unreportedProperties = c$.prototype.unreportedProperties = (";ambientpercent;animationfps;antialiasdisplay;antialiasimages;antialiastranslucent;appendnew;axescolor;axesposition;axesmolecular;axesorientationrasmol;axesunitcell;axeswindow;axis1color;axis2color;axis3color;backgroundcolor;backgroundmodel;bondsymmetryatoms;boundboxcolor;cameradepth;bondingversion;ciprule6full;contextdepthmax;debug;debugscript;defaultlatttice;defaults;defaultdropscript;diffusepercent;;exportdrivers;exportscale;_filecaching;_filecache;fontcaching;fontscaling;forcefield;language;hbondsDistanceMaximum;hbondsangleminimum;jmolinJSV;legacyautobonding;legacyhaddition;legacyjavafloat;loglevel;logfile;loggestures;logcommands;measurestylechime;loadformat;loadligandformat;macrodirectory;mkaddhydrogens;minimizationmaxatoms;smilesurlformat;pubchemformat;nihresolverformat;edsurlformat;edsurlcutoff;multiprocessor;navigationmode;;nodelay;pathforallfiles;perspectivedepth;phongexponent;perspectivemodel;platformspeed;preservestate;refreshing;repaintwaitms;rotationradius;selectallmodels;showaxes;showaxis1;showaxis2;showaxis3;showboundbox;showfrank;showtiming;showunitcell;slabenabled;slab;slabrange;depth;zshade;zshadepower;specular;specularexponent;specularpercent;celshading;celshadingpower;specularpower;stateversion;statusreporting;stereo;stereostate;vibrationperiod;unitcellcolor;visualrange;windowcentered;zerobasedxyzrasmol;zoomenabled;mousedragfactor;mousewheelfactor;scriptqueue;scriptreportinglevel;syncscript;syncmouse;syncstereo;defaultdirectory;currentlocalpath;defaultdirectorylocal;ambient;bonds;colorrasmol;diffuse;fractionalrelative;frank;hetero;hidenotselected;hoverlabel;hydrogen;languagetranslation;measurementunits;navigationdepth;navigationslab;picking;pickingstyle;propertycolorschemeoverload;radius;rgbblue;rgbgreen;rgbred;scaleangstromsperinch;selectionhalos;showscript;showselections;solvent;strandcount;spinx;spiny;spinz;spinfps;navx;navy;navz;navfps;" + J.c.CBK.getNameList () + ";undo;atompicking;drawpicking;bondpicking;pickspinrate;picklabel" + ";modelkitmode;autoplaymovie;allowaudio;allowgestures;allowkeystrokes;allowmultitouch;allowmodelkit" + ";dodrop;hovered;historylevel;imagestate;iskiosk;useminimizationthread" + ";showkeystrokes;saveproteinstructurestate;testflag1;testflag2;testflag3;testflag4" + ";selecthetero;selecthydrogen;" + ";").toLowerCase (); +Clazz.defineMethod (c$, "setCIR", +function (template) { +if (template == null || template.equals (this.nihResolverFormat) && this.smilesUrlFormat != null) return; +var pt = template.indexOf ("/structure"); +if (pt > 0) { +this.nihResolverFormat = template.substring (0, pt + 10); +this.smilesUrlFormat = this.nihResolverFormat + "/%FILE/file?format=sdf&get3d=true"; +System.out.println ("CIR resolver set to " + this.nihResolverFormat); +}}, "~S"); +c$.unreportedProperties = c$.prototype.unreportedProperties = (";ambientpercent;animationfps;antialiasdisplay;antialiasimages;antialiastranslucent;appendnew;axescolor;axesposition;axesmolecular;axesorientationrasmol;axesunitcell;axeswindow;axis1color;axis2color;axis3color;backgroundcolor;backgroundmodel;bondsymmetryatoms;boundboxcolor;cameradepth;bondingversion;ciprule6full;contextdepthmax;debug;debugscript;defaultlatttice;defaults;defaultdropscript;diffusepercent;;exportdrivers;exportscale;_filecaching;_filecache;fontcaching;fontscaling;forcefield;language;hbondsDistanceMaximum;hbondsangleminimum;jmolinJSV;legacyautobonding;legacyhaddition;legacyjavafloat;loglevel;logfile;loggestures;logcommands;measurestylechime;loadformat;loadligandformat;macrodirectory;mkaddhydrogens;minimizationmaxatoms;smilesurlformat;pubchemformat;nihresolverformat;edsurlformat;edsurlcutoff;multiprocessor;navigationmode;;nodelay;pathforallfiles;perspectivedepth;phongexponent;perspectivemodel;platformspeed;preservestate;refreshing;repaintwaitms;rotationradius;selectallmodels;showaxes;showaxis1;showaxis2;showaxis3;showboundbox;showfrank;showtiming;showunitcell;slabenabled;slab;slabrange;depth;zshade;zshadepower;specular;specularexponent;specularpercent;celshading;celshadingpower;specularpower;stateversion;statusreporting;stereo;stereostate;vibrationperiod;unitcellcolor;visualrange;windowcentered;zerobasedxyzrasmol;zoomenabled;mousedragfactor;mousewheelfactor;scriptqueue;scriptreportinglevel;syncscript;syncmouse;syncstereo;defaultdirectory;currentlocalpath;defaultdirectorylocal;ambient;bonds;colorrasmol;diffuse;fractionalrelative;frank;hetero;hidenotselected;hoverlabel;hydrogen;languagetranslation;measurementunits;navigationdepth;navigationslab;picking;pickingstyle;propertycolorschemeoverload;radius;rgbblue;rgbgreen;rgbred;scaleangstromsperinch;selectionhalos;showscript;showselections;solvent;strandcount;spinx;spiny;spinz;spinfps;navx;navy;navz;navfps;" + J.c.CBK.getNameList () + ";undo;atompicking;drawpicking;bondpicking;pickspinrate;picklabel" + ";modelkitmode;autoplaymovie;allowaudio;allowgestures;allowkeystrokes;allowmultitouch;allowmodelkit" + ";dodrop;hovered;historylevel;imagestate;iskiosk;useminimizationthread" + ";checkcir;resolverresolver;showkeystrokes;saveproteinstructurestate;testflag1;testflag2;testflag3;testflag4" + ";selecthetero;selecthydrogen;" + ";").toLowerCase (); }); diff --git a/qmpy/web/static/js/jsmol/j2s/JV/JC.js b/qmpy/web/static/js/jsmol/j2s/JV/JC.js index c19e6418..e396cdbc 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/JC.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/JC.js @@ -1,9 +1,9 @@ Clazz.declarePackage ("JV"); -Clazz.load (["java.util.Hashtable", "JU.SB", "$.V3", "JU.Elements"], "JV.JC", ["JU.PT"], function () { +Clazz.load (["java.util.Hashtable", "JU.SB", "$.V3", "JU.Elements"], "JV.JC", ["JU.PT", "JU.Logger"], function () { c$ = Clazz.declareType (JV, "JC"); c$.getNBOTypeFromName = Clazz.defineMethod (c$, "getNBOTypeFromName", function (nboType) { -var pt = ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;;;;;;;PRNBO;RNBO;;".indexOf (";" + nboType + ";"); +var pt = ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;PRNBO;RNBO;;;;;;;;".indexOf (";" + nboType + ";"); return (pt < 0 ? pt : Clazz.doubleToInt (pt / 6) + 31); }, "~S"); c$.getCIPChiralityName = Clazz.defineMethod (c$, "getCIPChiralityName", @@ -91,25 +91,9 @@ return (format.indexOf ("%FILE") >= 0 ? JU.PT.rep (format, "%FILE", id) : format }, "~S,~S,~S"); c$.fixProtocol = Clazz.defineMethod (c$, "fixProtocol", function (name) { -if (name == null) return name; -if (name.indexOf ("http://www.rcsb.org/pdb/files/") == 0) { -var isLigand = (name.indexOf ("/ligand/") >= 0); -var id = name.substring (name.lastIndexOf ("/") + 1); -return JV.JC.resolveDataBase (null, id, JV.JC.databases.get (isLigand ? "ligand" : "pdb")); -}return (name.indexOf ("http://www.ebi") == 0 || name.indexOf ("http://pubchem") == 0 || name.indexOf ("http://cactus") == 0 || name.indexOf ("http://www.materialsproject") == 0 ? "https://" + name.substring (7) : name); -}, "~S"); -c$.getMacroList = Clazz.defineMethod (c$, "getMacroList", -function () { -var s = new JU.SB (); -for (var i = 0; i < JV.JC.macros.length; i += 3) s.append (JV.JC.macros[i]).append ("\t").append (JV.JC.macros[i + 1]).append ("\t").append (JV.JC.macros[i + 1]).append ("\n"); - -return s.toString (); -}); -c$.getMacro = Clazz.defineMethod (c$, "getMacro", -function (key) { -for (var i = 0; i < JV.JC.macros.length; i += 3) if (JV.JC.macros[i].equals (key)) return JV.JC.macros[i + 1]; - -return null; +var newname = (name == null ? null : name.indexOf ("http://www.rcsb.org/pdb/files/") == 0 ? JV.JC.resolveDataBase (name.indexOf ("/ligand/") >= 0 ? "ligand" : "pdb", name.substring (name.lastIndexOf ("/") + 1), null) : name.indexOf ("http://www.ebi") == 0 || name.indexOf ("http://pubchem") == 0 || name.indexOf ("http://cactus") == 0 || name.indexOf ("http://www.materialsproject") == 0 ? "https://" + name.substring (7) : name); +if (newname !== name) JU.Logger.info ("JC.fixProtocol " + name + " --> " + newname); +return newname; }, "~S"); c$.embedScript = Clazz.defineMethod (c$, "embedScript", function (s) { @@ -283,7 +267,7 @@ if (type.indexOf ("t") > 0) i |= 16; }return i; }, "~S"); Clazz.defineStatics (c$, -"NBO_TYPES", ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;;;;;;;PRNBO;RNBO;;", +"NBO_TYPES", ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;PRNBO;RNBO;;;;;;;;", "CIP_CHIRALITY_UNKNOWN", 0, "CIP_CHIRALITY_R_FLAG", 1, "CIP_CHIRALITY_S_FLAG", 2, @@ -308,7 +292,8 @@ Clazz.defineStatics (c$, "PDB_ANNOTATIONS", ";dssr;rna3d;dom;val;", "CACTUS_FILE_TYPES", ";alc;cdxml;cerius;charmm;cif;cml;ctx;gjf;gromacs;hyperchem;jme;maestro;mol;mol2;sybyl2;mrv;pdb;sdf;sdf3000;sln;smiles;xyz", "defaultMacroDirectory", "https://chemapps.stolaf.edu/jmol/macros", -"databaseArray", Clazz.newArray (-1, ["aflowbin", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "aflow", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "ams", "'http://rruff.geo.arizona.edu/AMS/viewJmol.php?'+(0+'%file'==0? 'mineral':('%file'.length==7? 'amcsd':'id'))+'=%file&action=showcif#_DOCACHE_'", "dssr", "http://dssr-jmol.x3dna.org/report.php?id=%FILE&opts=--json=ebi", "dssrModel", "http://dssr-jmol.x3dna.org/report.php?POST?opts=--json=ebi&model=", "iucr", "http://scripts.iucr.org/cgi-bin/sendcif_yard?%FILE", "cod", "http://www.crystallography.net/cod/cif/%c1/%c2%c3/%c4%c5/%FILE.cif", "nmr", "http://www.nmrdb.org/new_predictor?POST?molfile=", "nmrdb", "http://www.nmrdb.org/service/predictor?POST?molfile=", "nmrdb13", "http://www.nmrdb.org/service/jsmol13c?POST?molfile=", "magndata", "http://webbdcrista1.ehu.es/magndata/mcif/%FILE.mcif", "rna3d", "http://rna.bgsu.edu/rna3dhub/%TYPE/download/%FILE", "mmtf", "https://mmtf.rcsb.org/v1.0/full/%FILE", "chebi", "https://www.ebi.ac.uk/chebi/saveStructure.do?defaultImage=true&chebiId=%file%2D%", "ligand", "https://files.rcsb.org/ligands/download/%FILE.cif", "mp", "https://www.materialsproject.org/materials/mp-%FILE/cif#_DOCACHE_", "nci", "https://cactus.nci.nih.gov/chemical/structure/%FILE", "pdb", "https://files.rcsb.org/download/%FILE.pdb", "pdb0", "https://files.rcsb.org/download/%FILE.pdb", "pdbe", "https://www.ebi.ac.uk/pdbe/entry-files/download/%FILE.cif", "pdbe2", "https://www.ebi.ac.uk/pdbe/static/entry/%FILE_updated.cif", "pubchem", "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/%FILE/SDF?record_type=3d", "map", "https://www.ebi.ac.uk/pdbe/api/%TYPE/%FILE?pretty=false&metadata=true", "pdbemap", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file.ccp4", "pdbemapdiff", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file_diff.ccp4", "pdbemapserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?space=cartesian&encoding=bcif", "pdbemapdiffserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?space=cartesian&encoding=bcif&diff=1"])); +"databaseArray", Clazz.newArray (-1, ["aflowbin", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "aflow", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "ams", "'http://rruff.geo.arizona.edu/AMS/viewJmol.php?'+(0+'%file'==0? 'mineral':('%file'.length==7? 'amcsd':'id'))+'=%file&action=showcif#_DOCACHE_'", "dssr", "http://dssr-jmol.x3dna.org/report.php?id=%FILE&opts=--json=ebi", "dssrModel", "http://dssr-jmol.x3dna.org/report.php?POST?opts=--json=ebi&model=", "iucr", "http://scripts.iucr.org/cgi-bin/sendcif_yard?%FILE", "cod", "http://www.crystallography.net/cod/cif/%c1/%c2%c3/%c4%c5/%FILE.cif", "nmr", "https://www.nmrdb.org/new_predictor?POST?molfile=", "nmrdb", "https://www.nmrdb.org/service/predictor?POST?molfile=", "nmrdb13", "https://www.nmrdb.org/service/jsmol13c?POST?molfile=", "magndata", "http://webbdcrista1.ehu.es/magndata/mcif/%FILE.mcif", "rna3d", "http://rna.bgsu.edu/rna3dhub/%TYPE/download/%FILE", "mmtf", "https://mmtf.rcsb.org/v1.0/full/%FILE", "chebi", "https://www.ebi.ac.uk/chebi/saveStructure.do?defaultImage=true&chebiId=%file%2D%", "ligand", "https://files.rcsb.org/ligands/download/%FILE.cif", "mp", "https://www.materialsproject.org/materials/mp-%FILE/cif#_DOCACHE_", "nci", "https://cactus.nci.nih.gov/chemical/structure", "pdb", "https://files.rcsb.org/download/%FILE.pdb", "pdb0", "https://files.rcsb.org/download/%FILE.pdb", "pdbe", "https://www.ebi.ac.uk/pdbe/entry-files/download/%FILE.cif", "pdbe2", "https://www.ebi.ac.uk/pdbe/static/entry/%FILE_updated.cif", "pubchem", "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/%FILE/SDF?record_type=3d", "map", "https://www.ebi.ac.uk/pdbe/api/%TYPE/%FILE?pretty=false&metadata=true", "pdbemap", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file.ccp4", "pdbemapdiff", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file_diff.ccp4", "pdbemapserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?detail=6&space=cartesian&encoding=bcif", "pdbemapdiffserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?detail=6&space=cartesian&encoding=bcif&diff=1", "emdbmap", "https://www.ebi.ac.uk/pdbe/densities/emd/emd-%file/cell?detail=6&space=cartesian&encoding=bcif", "emdbquery", "https://www.ebi.ac.uk/emdb/api/search/fitted_pdbs:%file?fl=emdb_id,map_contour_level_value&wt=csv", "emdbmapserver", "https://www.ebi.ac.uk/pdbe/densities/emd/emd-%file/box/0,0,0/0,0,0?detail=6&space=cartesian&encoding=bcif", "resolverResolver", "https://chemapps.stolaf.edu/resolver"]), +"legacyResolver", "cactus.nci.nih.gov/chemical/structure"); c$.databases = c$.prototype.databases = new java.util.Hashtable (); { for (var i = 0; i < JV.JC.databaseArray.length; i += 2) JV.JC.databases.put (JV.JC.databaseArray[i].toLowerCase (), JV.JC.databaseArray[i + 1]); @@ -487,7 +472,7 @@ Clazz.defineStatics (c$, "GROUPID_ION_MIN", 46, "GROUPID_ION_MAX", 48, "predefinedVariable", Clazz.newArray (-1, ["@_1H _H & !(_2H,_3H)", "@_12C _C & !(_13C,_14C)", "@_14N _N & !(_15N)", "@solvent water, (_g>=45 & _g<48)", "@ligand _g=0|!(_g<46,protein,nucleic,water)", "@turn structure=1", "@sheet structure=2", "@helix structure=3", "@helix310 substructure=7", "@helixalpha substructure=8", "@helixpi substructure=9", "@bulges within(dssr,'bulges')", "@coaxStacks within(dssr,'coaxStacks')", "@hairpins within(dssr,'hairpins')", "@hbonds within(dssr,'hbonds')", "@helices within(dssr,'helices')", "@iloops within(dssr,'iloops')", "@isoCanonPairs within(dssr,'isoCanonPairs')", "@junctions within(dssr,'junctions')", "@kissingLoops within(dssr,'kissingLoops')", "@multiplets within(dssr,'multiplets')", "@nonStack within(dssr,'nonStack')", "@nts within(dssr,'nts')", "@pairs within(dssr,'pairs')", "@ssSegments within(dssr,'ssSegments')", "@stacks within(dssr,'stacks')", "@stems within(dssr,'stems')"]), -"predefinedStatic", Clazz.newArray (-1, ["@amino _g>0 & _g<=23", "@acidic asp,glu", "@basic arg,his,lys", "@charged acidic,basic", "@negative acidic", "@positive basic", "@neutral amino&!(acidic,basic)", "@polar amino&!hydrophobic", "@peptide protein&within(chain,monomer>1)&!within(chain,monomer>12)", "@cyclic his,phe,pro,trp,tyr", "@acyclic amino&!cyclic", "@aliphatic ala,gly,ile,leu,val", "@aromatic his,phe,trp,tyr", "@cystine within(group,(cys,cyx)&atomname=sg&connected((cys,cyx)&atomname=sg))", "@buried ala,cys,ile,leu,met,phe,trp,val", "@surface amino&!buried", "@hydrophobic ala,gly,ile,leu,met,phe,pro,trp,tyr,val", "@mainchain backbone", "@small ala,gly,ser", "@medium asn,asp,cys,pro,thr,val", "@large arg,glu,gln,his,ile,leu,lys,met,phe,trp,tyr", "@c nucleic & ([C] or [DC] or within(group,_a=42))", "@g nucleic & ([G] or [DG] or within(group,_a=43))", "@cg c,g", "@a nucleic & ([A] or [DA] or within(group,_a=44))", "@t nucleic & ([T] or [DT] or within(group,_a=45 | _a=49))", "@at a,t", "@i nucleic & ([I] or [DI] or within(group,_a=46) & !g)", "@u nucleic & ([U] or [DU] or within(group,_a=47) & !t)", "@tu nucleic & within(group,_a=48)", "@ions _g>=46&_g<48", "@alpha _a=2", "@_bb protein&(_a>=1&_a<6|_a=64) | nucleic&(_a>=6&_a<14|_a>=73&&_a<=79||_a==99||_a=100)", "@backbone _bb | _H && connected(single, _bb)", "@spine protein&_a>=1&_a<4|nucleic&(_a>=6&_a<11|_a=13)", "@sidechain (protein,nucleic) & !backbone", "@base nucleic & !backbone", "@dynamic_flatring search('[a]')", "@nonmetal _H,_He,_B,_C,_N,_O,_F,_Ne,_Si,_P,_S,_Cl,_Ar,_As,_Se,_Br,_Kr,_Te,_I,_Xe,_At,_Rn", "@metal !nonmetal", "@alkaliMetal _Li,_Na,_K,_Rb,_Cs,_Fr", "@alkalineEarth _Be,_Mg,_Ca,_Sr,_Ba,_Ra", "@nobleGas _He,_Ne,_Ar,_Kr,_Xe,_Rn", "@metalloid _B,_Si,_Ge,_As,_Sb,_Te", "@transitionMetal elemno>=21&elemno<=30|elemno=57|elemno=89|elemno>=39&elemno<=48|elemno>=72&elemno<=80|elemno>=104&elemno<=112", "@lanthanide elemno>57&elemno<=71", "@actinide elemno>89&elemno<=103"]), +"predefinedStatic", Clazz.newArray (-1, ["@amino _g>0 & _g<=23", "@acidic asp,glu", "@basic arg,his,lys", "@charged acidic,basic", "@negative acidic", "@positive basic", "@neutral amino&!(acidic,basic)", "@polar amino&!hydrophobic", "@peptide protein&within(chain,monomer>1)&!within(chain,monomer>12)", "@cyclic his,phe,pro,trp,tyr", "@acyclic amino&!cyclic", "@aliphatic ala,gly,ile,leu,val", "@aromatic his,phe,trp,tyr", "@cystine within(group,(cys,cyx)&atomname=sg&connected((cys,cyx)&atomname=sg))", "@buried ala,cys,ile,leu,met,phe,trp,val", "@surface amino&!buried", "@hydrophobic ala,gly,ile,leu,met,phe,pro,trp,tyr,val", "@mainchain backbone", "@small ala,gly,ser", "@medium asn,asp,cys,pro,thr,val", "@large arg,glu,gln,his,ile,leu,lys,met,phe,trp,tyr", "@c nucleic & ([C] or [DC] or within(group,_a=42))", "@g nucleic & ([G] or [DG] or within(group,_a=43))", "@cg c,g", "@a nucleic & ([A] or [DA] or within(group,_a=44))", "@t nucleic & ([T] or [DT] or within(group,_a=45 | _a=49))", "@at a,t", "@i nucleic & ([I] or [DI] or within(group,_a=46) & !g)", "@u nucleic & ([U] or [DU] or within(group,_a=47) & !t)", "@tu nucleic & within(group,_a=48)", "@ions _g>=46&_g<48", "@alpha _a=2", "@_bb protein&(_a>=1&_a<6|_a=64) | nucleic&(_a>=6&_a<14|_a>=73&&_a<=79||_a==99||_a=100)", "@backbone _bb | _H && connected(single, _bb)", "@spine protein&_a>=1&_a<4|nucleic&(_a>=6&_a<11|_a=13)", "@sidechain (protein,nucleic) & !backbone", "@base nucleic & !backbone", "@dynamic_flatring search('[a]')", "@nonmetal _H,_He,_B,_C,_N,_O,_F,_Ne,_Si,_P,_S,_Cl,_Ar,_As,_Se,_Br,_Kr,_Te,_I,_Xe,_At,_Rn", "@metal !nonmetal && !_Xx", "@alkaliMetal _Li,_Na,_K,_Rb,_Cs,_Fr", "@alkalineEarth _Be,_Mg,_Ca,_Sr,_Ba,_Ra", "@nobleGas _He,_Ne,_Ar,_Kr,_Xe,_Rn", "@metalloid _B,_Si,_Ge,_As,_Sb,_Te", "@transitionMetal elemno>=21&elemno<=30|elemno=57|elemno=89|elemno>=39&elemno<=48|elemno>=72&elemno<=80|elemno>=104&elemno<=112", "@lanthanide elemno>57&elemno<=71", "@actinide elemno>89&elemno<=103"]), "MODELKIT_ZAP_STRING", "5\n\nC 0 0 0\nH .63 .63 .63\nH -.63 -.63 .63\nH -.63 .63 -.63\nH .63 -.63 -.63", "MODELKIT_ZAP_TITLE", "Jmol Model Kit", "ZAP_TITLE", "zapped", @@ -609,8 +594,9 @@ c$.IMAGE_OR_SCENE = c$.prototype.IMAGE_OR_SCENE = ";jpg;jpeg;jpg64;jpeg64;gif;gi "SMILES_AROMATIC_MMFF94", 0x300, "SMILES_AROMATIC_PLANAR", 0x400, "SMILES_IGNORE_ATOM_CLASS", 0x800, -"SMILES_GEN_EXPLICIT_H", 0x00001000, -"SMILES_GEN_TOPOLOGY", 0x00002000, +"SMILES_GEN_EXPLICIT_H_ALL", 0x00001000, +"SMILES_GEN_EXPLICIT_H2_ONLY", 0x00002000, +"SMILES_GEN_TOPOLOGY", 0x00004000, "SMILES_GEN_POLYHEDRAL", 0x00010000, "SMILES_GEN_ATOM_COMMENT", 0x00020000, "SMILES_GEN_BIO", 0x00100000, @@ -620,6 +606,7 @@ c$.IMAGE_OR_SCENE = c$.prototype.IMAGE_OR_SCENE = ";jpg;jpeg;jpg64;jpeg64;gif;gi "SMILES_GEN_BIO_COMMENT", 0x01100000, "SMILES_GEN_BIO_NOCOMMENTS", 0x02100000, "SMILES_GROUP_BY_MODEL", 0x04000000, +"SMILES_2D", 0x08000000, "JSV_NOT", -1, "JSV_SEND_JDXMOL", 0, "JSV_SETPEAKS", 7, diff --git a/qmpy/web/static/js/jsmol/j2s/JV/OutputManager.js b/qmpy/web/static/js/jsmol/j2s/JV/OutputManager.js index 64f10efa..c7c7d7ef 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/OutputManager.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/OutputManager.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JV"); -Clazz.load (null, "JV.OutputManager", ["java.lang.Boolean", "java.util.Date", "$.Hashtable", "$.Map", "JU.AU", "$.Lst", "$.OC", "$.PT", "$.SB", "J.api.Interface", "J.i18n.GT", "JU.Logger", "JV.FileManager", "$.JC", "$.Viewer"], function () { +Clazz.load (null, "JV.OutputManager", ["java.lang.Boolean", "java.util.Date", "$.Hashtable", "$.Map", "JU.AU", "$.Lst", "$.OC", "$.PT", "$.Rdr", "$.SB", "J.api.Interface", "J.i18n.GT", "JU.Logger", "JV.FileManager", "$.JC", "$.Viewer"], function () { c$ = Clazz.decorateAsClass (function () { this.vwr = null; this.privateKey = 0; @@ -151,8 +151,12 @@ return true; }objImage = null; v.removeItemAt (0); v.removeItemAt (0); -params.put ("pngImgData", v.removeItemAt (0)); -var oz = this.getOutputChannel (null, null); +var bytes = v.removeItemAt (0); +if (JU.Rdr.isPngZipB (bytes)) { +params.put ("pngImgData", bytes); +} else { +this.getImagePixels (this.vwr.fm.getImage (bytes, null, true), params); +}var oz = this.getOutputChannel (null, null); errRet[0] = this.writeZipFile (oz, v, "OK JMOL", null); params.put ("type", "PNGJ"); type = "Png"; @@ -172,12 +176,7 @@ return false; }var doClose = true; try { if (type.equals ("Gif") && this.vwr.getBoolean (603979962)) params.put ("reducedColors", Boolean.TRUE); -var w = objImage == null ? -1 : JU.AU.isAI (objImage) ? (params.get ("width")).intValue () : this.vwr.apiPlatform.getImageWidth (objImage); -var h = objImage == null ? -1 : JU.AU.isAI (objImage) ? (params.get ("height")).intValue () : this.vwr.apiPlatform.getImageHeight (objImage); -params.put ("imageWidth", Integer.$valueOf (w)); -params.put ("imageHeight", Integer.$valueOf (h)); -var pixels = this.encodeImage (w, h, objImage); -if (pixels != null) params.put ("imagePixels", pixels); +if (params.get ("imagePixels") == null) this.getImagePixels (objImage, params); params.put ("logging", Boolean.$valueOf (JU.Logger.debugging)); doClose = ie.createImage (type, out, params); } catch (e) { @@ -193,6 +192,15 @@ if (doClose) out.closeChannel (); } return (errRet[0] == null); }, "~O,~S,JU.OC,java.util.Map,~A"); +Clazz.defineMethod (c$, "getImagePixels", + function (objImage, params) { +var w = objImage == null ? -1 : JU.AU.isAI (objImage) ? (params.get ("width")).intValue () : this.vwr.apiPlatform.getImageWidth (objImage); +var h = objImage == null ? -1 : JU.AU.isAI (objImage) ? (params.get ("height")).intValue () : this.vwr.apiPlatform.getImageHeight (objImage); +params.put ("imageWidth", Integer.$valueOf (w)); +params.put ("imageHeight", Integer.$valueOf (h)); +var pixels = this.encodeImage (w, h, objImage); +if (pixels != null) params.put ("imagePixels", pixels); +}, "~O,java.util.Map"); Clazz.defineMethod (c$, "encodeImage", function (width, height, objImage) { if (width < 0) return null; @@ -212,15 +220,13 @@ return this.handleOutputToFile (params, true); Clazz.defineMethod (c$, "getOutputChannel", function (fileName, fullPath) { if (!this.vwr.haveAccess (JV.Viewer.ACCESS.ALL)) return null; -var isCache = (fileName != null && fileName.startsWith ("cache://")); -var isRemote = (fileName != null && (fileName.startsWith ("http://") || fileName.startsWith ("https://"))); -if (fileName != null && !isCache && !isRemote) { +var isRemote = JU.OC.isRemote (fileName); +if (fileName != null && !isRemote && !fileName.startsWith ("cache://")) { fileName = this.getOutputFileNameFromDialog (fileName, -2147483648, null); if (fileName == null) return null; }if (fullPath != null) fullPath[0] = fileName; -var localName = (isRemote || isCache || JU.OC.isLocal (fileName) ? fileName : null); try { -return this.openOutputChannel (this.privateKey, localName, false, false); +return this.openOutputChannel (this.privateKey, fileName, false, false); } catch (e) { if (Clazz.exceptionOf (e, java.io.IOException)) { JU.Logger.info (e.toString ()); @@ -380,7 +386,7 @@ Clazz.defineMethod (c$, "getOutputFileNameFromDialog", if (fileName == null || this.vwr.$isKiosk) return null; var useDialog = fileName.startsWith ("?"); if (useDialog) fileName = fileName.substring (1); -useDialog = new Boolean (useDialog | (this.vwr.isApplet && fileName.indexOf ("http://") != 0 && fileName.indexOf ("https://") != 0)).valueOf (); +useDialog = new Boolean (useDialog | (this.vwr.isApplet && fileName.indexOf ("http:") != 0 && fileName.indexOf ("https:") != 0)).valueOf (); fileName = JV.FileManager.getLocalPathForWritingFile (this.vwr, fileName); if (useDialog) fileName = this.vwr.dialogAsk (quality == -2147483648 ? "Save" : "Save Image", fileName, params); return fileName; @@ -573,29 +579,32 @@ Clazz.defineMethod (c$, "createZipSet", function (script, scripts, includeRemoteFiles, out, pngjName) { var v = new JU.Lst (); var fm = this.vwr.fm; -var fileNames = new JU.Lst (); +var fileNamesEscaped = new JU.Lst (); +var fileNamesUTF = new JU.Lst (); var crcMap = new java.util.Hashtable (); var haveSceneScript = (scripts != null && scripts.length == 3 && scripts[1].startsWith ("###scene.spt###")); var sceneScriptOnly = (haveSceneScript && scripts[2].equals ("min")); if (!sceneScriptOnly) { -JV.FileManager.getFileReferences (script, fileNames); -if (haveSceneScript) JV.FileManager.getFileReferences (scripts[1], fileNames); +JV.FileManager.getFileReferences (script, fileNamesEscaped, fileNamesUTF); +if (haveSceneScript) JV.FileManager.getFileReferences (scripts[1], fileNamesEscaped, fileNamesUTF); }var haveScripts = (!haveSceneScript && scripts != null && scripts.length > 0); if (haveScripts) { script = this.wrapPathForAllFiles ("script " + JU.PT.esc (scripts[0]), ""); -for (var i = 0; i < scripts.length; i++) fileNames.addLast (scripts[i]); +for (var i = 0; i < scripts.length; i++) fileNamesEscaped.addLast (scripts[i]); -}var nFiles = fileNames.size (); +}var nFiles = fileNamesEscaped.size (); var newFileNames = new JU.Lst (); for (var iFile = 0; iFile < nFiles; iFile++) { -var name = fileNames.get (iFile); -var isLocal = !JV.Viewer.isJS && JU.OC.isLocal (name); +var name = fileNamesUTF.get (iFile); +var isLocal = JU.OC.isLocal (name); var newName = name; if (isLocal || includeRemoteFiles) { var ptSlash = name.lastIndexOf ("/"); newName = (name.indexOf ("?") > 0 && name.indexOf ("|") < 0 ? JU.PT.replaceAllCharacters (name, "/:?\"'=&", "_") : JV.FileManager.stripPath (name)); newName = JU.PT.replaceAllCharacters (newName, "[]", "_"); newName = JU.PT.rep (newName, "#_DOCACHE_", ""); +newName = JU.PT.rep (newName, "localLOAD_", ""); +newName = JU.PT.rep (newName, "DROP_", ""); var isSparDir = (fm.spardirCache != null && fm.spardirCache.containsKey (name)); if (isLocal && name.indexOf ("|") < 0 && !isSparDir) { v.addLast (name); @@ -607,10 +616,10 @@ if (!JU.AU.isAB (ret)) return "ERROR: " + ret; newName = this.addPngFileBytes (name, ret, iFile, crcMap, isSparDir, newName, ptSlash, v); }name = "$SCRIPT_PATH$" + newName; }crcMap.put (newName, newName); -newFileNames.addLast (name); +newFileNames.addLast (JU.PT.escUnicode (name)); } if (!sceneScriptOnly) { -script = JU.PT.replaceQuotedStrings (script, fileNames, newFileNames); +script = JU.PT.replaceQuotedStrings (script, fileNamesEscaped, newFileNames); v.addLast ("state.spt"); v.addLast (null); v.addLast (script.getBytes ()); @@ -621,7 +630,7 @@ v.addLast (null); v.addLast (scripts[0].getBytes ()); }v.addLast ("scene.spt"); v.addLast (null); -script = JU.PT.replaceQuotedStrings (scripts[1], fileNames, newFileNames); +script = JU.PT.replaceQuotedStrings (scripts[1], fileNamesEscaped, newFileNames); v.addLast (script.getBytes ()); }var sname = (haveSceneScript ? "scene.spt" : "state.spt"); v.addLast ("JmolManifest.txt"); @@ -673,18 +682,17 @@ bos = out; var zos = this.vwr.getJzt ().getZipOutputStream (bos); for (var i = 0; i < fileNamesAndByteArrays.size (); i += 3) { var fname = fileNamesAndByteArrays.get (i); -var bytes = null; -var data = fm.cacheGet (fname, false); +var fnameShort = fileNamesAndByteArrays.get (i + 1); +var bytes = fileNamesAndByteArrays.get (i + 2); +var data = (bytes == null ? fm.cacheGet (fname, false) : null); if (Clazz.instanceOf (data, java.util.Map)) continue; if (fname.indexOf ("file:/") == 0) { fname = fname.substring (5); if (fname.length > 2 && fname.charAt (2) == ':') fname = fname.substring (1); } else if (fname.indexOf ("cache://") == 0) { fname = fname.substring (8); -}var fnameShort = fileNamesAndByteArrays.get (i + 1); -if (fnameShort == null) fnameShort = fname; +}if (fnameShort == null) fnameShort = fname; if (data != null) bytes = (JU.AU.isAB (data) ? data : (data).getBytes ()); -if (bytes == null) bytes = fileNamesAndByteArrays.get (i + 2); var key = ";" + fnameShort + ";"; if (fileList.indexOf (key) >= 0) { JU.Logger.info ("duplicate entry"); @@ -695,12 +703,13 @@ var nOut = 0; if (bytes == null) { var $in = this.vwr.getBufferedInputStream (fname); var len; +if ($in != null) { while ((len = $in.read (buf, 0, 1024)) > 0) { zos.write (buf, 0, len); nOut += len; } $in.close (); -} else { +}} else { zos.write (bytes, 0, bytes.length); if (pngjName != null) this.vwr.fm.recachePngjBytes (pngjName + "|" + fnameShort, bytes); nOut += bytes.length; diff --git a/qmpy/web/static/js/jsmol/j2s/JV/PropertyManager.js b/qmpy/web/static/js/jsmol/j2s/JV/PropertyManager.js index 861841a5..d62da938 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/PropertyManager.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/PropertyManager.js @@ -1,5 +1,5 @@ Clazz.declarePackage ("JV"); -Clazz.load (["J.api.JmolPropertyManager", "java.util.Hashtable"], "JV.PropertyManager", ["java.lang.Boolean", "$.Double", "$.Float", "java.util.Arrays", "$.Date", "$.Map", "JU.AU", "$.BArray", "$.BS", "$.Base64", "$.Lst", "$.M3", "$.M4", "$.P3", "$.PT", "$.SB", "$.V3", "$.XmlUtil", "J.api.Interface", "JM.BondSet", "$.LabelToken", "JS.SV", "$.T", "JU.BSUtil", "$.C", "$.Edge", "$.Escape", "$.JmolMolecule", "$.Logger", "JV.ActionManager", "$.FileManager", "$.JC", "$.Viewer", "JV.binding.Binding"], function () { +Clazz.load (["J.api.JmolPropertyManager", "java.util.Hashtable"], "JV.PropertyManager", ["java.lang.Boolean", "$.Double", "$.Float", "java.util.Arrays", "$.Date", "$.Map", "JU.AU", "$.BArray", "$.BS", "$.Base64", "$.Lst", "$.M3", "$.M4", "$.P3", "$.PT", "$.SB", "$.V3", "J.api.Interface", "JM.BondSet", "$.LabelToken", "JS.SV", "$.T", "JU.BSUtil", "$.C", "$.Edge", "$.Escape", "$.JmolMolecule", "$.Logger", "JV.ActionManager", "$.FileManager", "$.JC", "$.Viewer", "JV.binding.Binding"], function () { c$ = Clazz.decorateAsClass (function () { this.vwr = null; this.map = null; @@ -38,7 +38,8 @@ if (JV.PropertyManager.propertyTypes.length != 141) JU.Logger.warn ("propertyTyp var info; if (infoType.indexOf (".") >= 0 || infoType.indexOf ("[") >= 0) { var args = this.getArguments (infoType); -info = this.extractProperty (this.getPropertyAsObject (args[0].asString (), paramInfo, null), args, 1, null, false); +var h = this.getPropertyAsObject (args[0].asString (), paramInfo, null); +info = this.extractProperty (h, args, 1, null, false); } else { info = this.getPropertyAsObject (infoType, paramInfo, returnType); }if (returnType == null) return info; @@ -58,7 +59,10 @@ while ((pt = lc.indexOf ("[select ", ++pt)) >= 0) { var pt2 = lc.indexOf (" where ", pt); var pt2b = lc.indexOf (" wherein ", pt); if (pt2b > 0 && pt2b < pt2) pt2 = pt2b; -var pt3 = lc.lastIndexOf ("]"); +var pt3 = lc.indexOf ("][select ", pt); +if (pt3 < 0) pt3 = lc.lastIndexOf ("]"); +pt2b = lc.indexOf ("[", pt); +if (pt2b >= 0 && pt2b < pt3) pt2 = pt2b; if (pt2 < 0 || pt2 > pt3) continue; propertyName = propertyName.substring (0, pt + 1) + propertyName.substring (pt + 1, pt3).$replace ('.', '\1').$replace ('[', '\2').$replace (']', '\3') + propertyName.substring (pt3); } @@ -104,8 +108,23 @@ if (ptr < 0) { args = this.getArguments (args); ptr = 0; }if (ptr >= (args).length) return prop; -if (!isCompiled) args = this.compileSelect (args); -var pt; +if (!isCompiled) { +args = this.compileSelect (args); +var svargs = args; +for (var i = ptr, n = svargs.length; i < n; i++) { +if (svargs[i].tok == 1275082245) { +var a = new Array (i + 1); +for (var p = 0; p <= i; p++) a[p] = svargs[p]; + +prop = this.extractProperty (prop, a, ptr, null, true); +for (; ++i < n; ) { +a[a.length - 1] = svargs[i]; +prop = this.extractProperty (prop, a, a.length - 1, null, true); +} +return prop; +}} +args = svargs; +}var pt; var arg = (args)[ptr++]; var property = JS.SV.oValue (prop); switch (arg.tok) { @@ -119,49 +138,40 @@ return (pt >= 0 && pt < v.size () ? this.extractProperty (v.get (pt), args, ptr, var m = property; var f = Clazz.newArray (-1, [ Clazz.newFloatArray (-1, [m.m00, m.m01, m.m02]), Clazz.newFloatArray (-1, [m.m10, m.m11, m.m12]), Clazz.newFloatArray (-1, [m.m20, m.m21, m.m22])]); if (pt < 0) pt += 3; -if (pt >= 0 && pt < 3) return this.extractProperty (f, args, --ptr, null, true); -return ""; +return (pt >= 0 && pt < 3 ? this.extractProperty (f, args, --ptr, null, true) : ""); }if (Clazz.instanceOf (property, JU.M4)) { var m = property; var f = Clazz.newArray (-1, [ Clazz.newFloatArray (-1, [m.m00, m.m01, m.m02, m.m03]), Clazz.newFloatArray (-1, [m.m10, m.m11, m.m12, m.m13]), Clazz.newFloatArray (-1, [m.m20, m.m21, m.m22, m.m23]), Clazz.newFloatArray (-1, [m.m30, m.m31, m.m32, m.m33])]); if (pt < 0) pt += 4; -if (pt >= 0 && pt < 4) return this.extractProperty (f, args, --ptr, null, true); -return ""; +return (pt >= 0 && pt < 4 ? this.extractProperty (f, args, --ptr, null, true) : ""); }if (JU.AU.isAI (property)) { var ilist = property; if (pt < 0) pt += ilist.length; -if (pt >= 0 && pt < ilist.length) return Integer.$valueOf (ilist[pt]); -return ""; +return (pt >= 0 && pt < ilist.length ? Integer.$valueOf (ilist[pt]) : ""); }if (JU.AU.isAD (property)) { var dlist = property; if (pt < 0) pt += dlist.length; -if (pt >= 0 && pt < dlist.length) return Double.$valueOf (dlist[pt]); -return ""; +return (pt >= 0 && pt < dlist.length ? Double.$valueOf (dlist[pt]) : ""); }if (JU.AU.isAF (property)) { var flist = property; if (pt < 0) pt += flist.length; -if (pt >= 0 && pt < flist.length) return Float.$valueOf (flist[pt]); -return ""; +return (pt >= 0 && pt < flist.length ? Float.$valueOf (flist[pt]) : ""); }if (JU.AU.isAII (property)) { var iilist = property; if (pt < 0) pt += iilist.length; -if (pt >= 0 && pt < iilist.length) return this.extractProperty (iilist[pt], args, ptr, null, true); -return ""; +return (pt >= 0 && pt < iilist.length ? this.extractProperty (iilist[pt], args, ptr, null, true) : ""); }if (JU.AU.isAFF (property)) { var fflist = property; if (pt < 0) pt += fflist.length; -if (pt >= 0 && pt < fflist.length) return this.extractProperty (fflist[pt], args, ptr, null, true); -return ""; +return (pt >= 0 && pt < fflist.length ? this.extractProperty (fflist[pt], args, ptr, null, true) : ""); }if (JU.AU.isAS (property)) { var slist = property; if (pt < 0) pt += slist.length; -if (pt >= 0 && pt < slist.length) return slist[pt]; -return ""; +return (pt >= 0 && pt < slist.length ? slist[pt] : ""); }if (Clazz.instanceOf (property, Array)) { var olist = property; if (pt < 0) pt += olist.length; -if (pt >= 0 && pt < olist.length) return olist[pt]; -return ""; +return (pt >= 0 && pt < olist.length ? olist[pt] : ""); }break; case 1275082245: case 4: @@ -245,12 +255,13 @@ var mapNew = new java.util.Hashtable (); if (keys != null && keys.size () == 0) { keys = null; key = "*"; -}if (keys == null) { +}asArray = new Boolean (asArray | (arg.index == 1)).valueOf (); +if (keys == null) { var tokens = JU.PT.split (key, ","); for (var i = tokens.length; --i >= 0; ) JV.PropertyManager.getMapSubset (h, tokens[i], mapNew, asArray ? v2 : null); } else { -for (var i = keys.size (); --i >= 0; ) JV.PropertyManager.getMapSubset (h, keys.get (i), mapNew, asArray ? v2 : null); +for (var i = 0; i < keys.size (); i++) JV.PropertyManager.getMapSubset (h, keys.get (i), mapNew, asArray ? v2 : null); }if (asMap && !wasV2) return mapNew; if (ptr == (args).length) { @@ -265,10 +276,16 @@ return (key != null && !isWild ? this.extractProperty (h.get (key), args, ptr, n var v = property; if (v2 == null) v2 = new JU.Lst (); ptr--; +var isList = false; for (pt = 0; pt < v.size (); pt++) { var o = v.get (pt); -if (Clazz.instanceOf (o, java.util.Map) || Clazz.instanceOf (o, JU.Lst) || (Clazz.instanceOf (o, JS.SV)) && ((o).getMap () != null || (o).getList () != null)) this.extractProperty (o, args, ptr, v2, true); -} +if (Clazz.instanceOf (o, java.util.Map) || (isList = (Clazz.instanceOf (o, JU.Lst))) || (Clazz.instanceOf (o, JS.SV)) && ((o).getMap () != null || (isList = ((o).getList () != null)))) { +if (isList || (arg.index == 1)) { +var ret = this.extractProperty (o, args, ptr, null, true); +if (ret !== "") v2.addLast (ret); +} else { +this.extractProperty (o, args, ptr, v2, true); +}}} return v2; }break; } @@ -305,13 +322,20 @@ var pt = ucKey.indexOf (" WHEREIN "); var ext = (pt < 0 ? "" : key.indexOf (";") >= 0 ? ";**" : ",**"); if (pt < 0) pt = ucKey.indexOf (" WHERE "); var select = key.substring (0, pt < 0 ? key.length : pt).trim (); -if (select.startsWith ("(") && select.endsWith (")")) select = select.substring (1, select.length - 1) + ";"; -if (pt < 0) { +var index = 0; +if (select.startsWith ("(") && select.endsWith (")")) { +select = select.substring (1, select.length - 1) + ";"; +} else if (select.startsWith ("[") && select.endsWith ("]")) { +select = select.substring (1, select.length - 1); +index = 1; +}if (pt < 0) { argsNew[i] = JS.SV.newV (1275082245, Clazz.newArray (-1, [this.getKeys (select), null])); argsNew[i].myName = select; +argsNew[i].index = index; } else { select += ext; argsNew[i] = JS.SV.newV (1275082245, Clazz.newArray (-1, [this.getKeys (select), this.vwr.compileExpr (key.substring (pt + 6 + ext.length).trim ())])); +argsNew[i].index = index; argsNew[i].myName = select; }}}} return (argsNew == null ? args : argsNew); @@ -527,7 +551,7 @@ var haveType = (type != null && type.length > 0); if (Clazz.instanceOf (objHeader, java.util.Map)) { return (haveType ? (objHeader).get (type) : objHeader); }var lines = JU.PT.split (objHeader, "\n"); -if (lines.length == 0 || lines[0].length < 6 || lines[0].charAt (6) != ' ' || !lines[0].substring (0, 6).equals (lines[0].substring (0, 6).toUpperCase ())) { +if (lines.length == 0 || lines[0].length < 7 || lines[0].charAt (6) != ' ' || !lines[0].substring (0, 6).equals (lines[0].substring (0, 6).toUpperCase ())) { ht.put ("fileHeader", objHeader); return ht; }var keyLast = ""; @@ -1466,8 +1490,8 @@ var sb = new JU.SB (); var nAtoms = bs.cardinality (); if (nAtoms == 0) return ""; if (JV.Viewer.isJS) J.api.Interface.getInterface ("JU.XmlUtil", this.vwr, "file"); -JU.XmlUtil.openTag (sb, "molecule"); -JU.XmlUtil.openTag (sb, "atomArray"); +JV.PropertyManager.openTag (sb, "molecule"); +JV.PropertyManager.openTag (sb, "atomArray"); var bsAtoms = new JU.BS (); var atoms = this.vwr.ms.at; for (var i = bs.nextSetBit (0); i >= 0; i = bs.nextSetBit (i + 1)) { @@ -1476,11 +1500,11 @@ var atom = atoms[i]; var name = atom.getAtomName (); JU.PT.rep (name, "\"", "''"); bsAtoms.set (atom.i); -JU.XmlUtil.appendTag (sb, "atom/", Clazz.newArray (-1, ["id", "a" + (atom.i + 1), "title", atom.getAtomName (), "elementType", atom.getElementSymbol (), "x3", "" + atom.x, "y3", "" + atom.y, "z3", "" + atom.z])); +JV.PropertyManager.appendTag (sb, "atom/", Clazz.newArray (-1, ["id", "a" + (atom.i + 1), "title", atom.getAtomName (), "elementType", atom.getElementSymbol (), "x3", "" + atom.x, "y3", "" + atom.y, "z3", "" + atom.z])); } -JU.XmlUtil.closeTag (sb, "atomArray"); +JV.PropertyManager.closeTag (sb, "atomArray"); if (addBonds) { -JU.XmlUtil.openTag (sb, "bondArray"); +JV.PropertyManager.openTag (sb, "bondArray"); var bondCount = this.vwr.ms.bondCount; var bonds = this.vwr.ms.bo; for (var i = 0; i < bondCount; i++) { @@ -1490,12 +1514,28 @@ var a2 = bond.atom2; if (!bsAtoms.get (a1.i) || !bsAtoms.get (a2.i)) continue; var order = JU.Edge.getCmlBondOrder (bond.order); if (order == null) continue; -JU.XmlUtil.appendTag (sb, "bond/", Clazz.newArray (-1, ["atomRefs2", "a" + (bond.atom1.i + 1) + " a" + (bond.atom2.i + 1), "order", order])); +JV.PropertyManager.appendTag (sb, "bond/", Clazz.newArray (-1, ["atomRefs2", "a" + (bond.atom1.i + 1) + " a" + (bond.atom2.i + 1), "order", order])); } -JU.XmlUtil.closeTag (sb, "bondArray"); -}JU.XmlUtil.closeTag (sb, "molecule"); +JV.PropertyManager.closeTag (sb, "bondArray"); +}JV.PropertyManager.closeTag (sb, "molecule"); return sb.toString (); }, "JU.BS,~N,~B,~B,~B"); +c$.openTag = Clazz.defineMethod (c$, "openTag", +function (sb, name) { +sb.append ("<").append (name).append (">\n"); +}, "JU.SB,~S"); +c$.appendTag = Clazz.defineMethod (c$, "appendTag", +function (sb, name, attributes) { +sb.append ("<").append (name); +for (var i = 0; i < attributes.length; i++) { +sb.append (" ").append (attributes[i]).append ("=\"").append (attributes[++i]).append ("\""); +} +sb.append ("/>\n"); +}, "JU.SB,~S,~A"); +c$.closeTag = Clazz.defineMethod (c$, "closeTag", +function (sb, name) { +sb.append ("\n"); +}, "JU.SB,~S"); Clazz.overrideMethod (c$, "fixJMEFormalCharges", function (bsAtoms, jme) { var haveCharges = false; diff --git a/qmpy/web/static/js/jsmol/j2s/JV/ShapeManager.js b/qmpy/web/static/js/jsmol/j2s/JV/ShapeManager.js index 2464fc6e..27712234 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/ShapeManager.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/ShapeManager.js @@ -43,7 +43,9 @@ Clazz.defineMethod (c$, "getShapeIdFromObjectName", function (objectName) { if (this.shapes != null) for (var i = 16; i < 30; ++i) if (this.shapes[i] != null && this.shapes[i].getIndexFromName (objectName) >= 0) return i; -return -1; +if (this.shapes[6] != null && this.shapes[6].getIndexFromName (objectName) >= 0) { +return 6; +}return -1; }, "~S"); Clazz.defineMethod (c$, "loadDefaultShapes", function (newModelSet) { @@ -213,7 +215,7 @@ this.ms.clearVisibleSets (); if (atoms.length > 0) { for (var i = this.ms.ac; --i >= 0; ) { var atom = atoms[i]; -atom.shapeVisibilityFlags &= -64; +if (atom != null) atom.shapeVisibilityFlags &= -64; if (bsDeleted != null && bsDeleted.get (i)) continue; if (bs.get (atom.mi)) { var f = 1; diff --git a/qmpy/web/static/js/jsmol/j2s/JV/StateCreator.js b/qmpy/web/static/js/jsmol/j2s/JV/StateCreator.js index 8141c24a..2c122177 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/StateCreator.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/StateCreator.js @@ -259,10 +259,14 @@ if (ms.tainted != null) { if (ms.tainted[2] != null) ms.tainted[2].andNot (bs); if (ms.tainted[3] != null) ms.tainted[3].andNot (bs); }m.loadScript = new JU.SB (); -this.getInlineData (commands, this.vwr.getModelExtract (bs, false, true, "MOL"), i > 0, null); +this.getInlineData (commands, this.vwr.getModelExtract (bs, false, true, "MOL"), i > 0, null, null); } else { commands.appendSB (m.loadScript); -}} +var auxFiles = m.auxiliaryInfo.get ("auxFiles"); +if (auxFiles != null) { +for (var j = 0; j < auxFiles.size (); j++) commands.append (";#FILE1=" + JU.PT.esc (auxFiles.get (j)) + ";"); + +}}} var s = commands.toString (); if (s.indexOf ("data \"append ") < 0) { var i = s.indexOf ("load /*data*/"); @@ -273,10 +277,10 @@ if (i >= 0) s = s.substring (0, i) + "zap;" + s.substring (i); }cmds.append (s); }, "JU.SB"); Clazz.overrideMethod (c$, "getInlineData", -function (loadScript, strModel, isAppend, loadFilter) { -var tag = (isAppend ? "append" : "model") + " inline"; +function (loadScript, strModel, isAppend, appendToModelIndex, loadFilter) { +var tag = (isAppend ? "append" + (appendToModelIndex != null && appendToModelIndex.intValue () != this.vwr.ms.mc - 1 ? " modelindex=" + appendToModelIndex : "") : "model") + " inline"; loadScript.append ("load /*data*/ data \"").append (tag).append ("\"\n").append (strModel).append ("end \"").append (tag).append (loadFilter == null || loadFilter.length == 0 ? "" : " filter" + JU.PT.esc (loadFilter)).append ("\";"); -}, "JU.SB,~S,~B,~S"); +}, "JU.SB,~S,~B,Integer,~S"); Clazz.defineMethod (c$, "getColorState", function (cm, sfunc) { var s = new JU.SB (); @@ -658,7 +662,7 @@ break; case 33: if (!this.vwr.ms.haveUnitCells) return ""; var st = s = this.getFontLineShapeState (shape); -var iAtom = this.vwr.am.cai; +var iAtom = this.vwr.am.getUnitCellAtomIndex (); if (iAtom >= 0) s += " unitcell ({" + iAtom + "});\n"; var uc = this.vwr.getCurrentUnitCell (); if (uc != null) { @@ -747,7 +751,7 @@ var colixes = balls.colixes; var pids = balls.paletteIDs; var r = 0; for (var i = 0; i < ac; i++) { -if (shape.bsSizeSet != null && shape.bsSizeSet.get (i)) { +if (atoms[i] != null && shape.bsSizeSet != null && shape.bsSizeSet.get (i)) { if ((r = atoms[i].madAtom) < 0) JU.BSUtil.setMapBitSet (this.temp, i, i, "Spacefill on"); else JU.BSUtil.setMapBitSet (this.temp, i, i, "Spacefill " + JU.PT.escF (r / 2000)); }if (shape.bsColixSet != null && shape.bsColixSet.get (i)) { @@ -948,7 +952,7 @@ var isDefault = (type == 2); var atoms = this.vwr.ms.at; var tainted = this.vwr.ms.tainted; if (bs != null) for (var i = bs.nextSetBit (0); i >= 0; i = bs.nextSetBit (i + 1)) { -if (atoms[i].isDeleted ()) continue; +if (atoms[i] == null || atoms[i].isDeleted ()) continue; s.appendI (i + 1).append (" ").append (atoms[i].getElementSymbol ()).append (" ").append (atoms[i].getInfo ().$replace (' ', '_')).append (" "); switch (type) { case 17: @@ -1090,7 +1094,7 @@ sb.append (this.getAtomicPropertyState (-1, null)); bs = this.vwr.getModelUndeletedAtomsBitSet (modelIndex); sb.append ("zap "); sb.append (JU.Escape.eBS (bs)).append (";"); -this.getInlineData (sb, this.vwr.getModelExtract (bs, false, true, "MOL"), true, null); +this.getInlineData (sb, this.vwr.getModelExtract (bs, false, true, "MOL"), true, null, null); sb.append ("set refreshing false;").append (this.vwr.acm.getPickingState ()).append (this.vwr.tm.getMoveToText (0, false)).append ("set refreshing true;"); }if (clearRedo) { this.vwr.actionStates.add (0, sb.toString ()); diff --git a/qmpy/web/static/js/jsmol/j2s/JV/StatusManager.js b/qmpy/web/static/js/jsmol/j2s/JV/StatusManager.js index 10e27251..eaa8fd86 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/StatusManager.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/StatusManager.js @@ -188,6 +188,13 @@ var name = this.vwr.getP ("_smilesString"); if (name.length != 0) fileName = name; this.cbl.notifyCallback (J.c.CBK.LOADSTRUCT, Clazz.newArray (-1, [sJmol, fullPathName, fileName, modelName, errorMsg, Integer.$valueOf (ptLoad), this.vwr.getP ("_modelNumber"), this.vwr.getModelNumberDotted (this.vwr.ms.mc - 1), isAsync])); }}, "~S,~S,~S,~S,~N,~B,Boolean"); +Clazz.defineMethod (c$, "setStatusModelKit", +function (istate) { +var state = (istate == 1 ? "ON" : "OFF"); +this.setStatusChanged ("modelkit", istate, state, false); +var sJmol = this.jmolScriptCallback (J.c.CBK.MODELKIT); +if (this.notifyEnabled (J.c.CBK.MODELKIT)) this.cbl.notifyCallback (J.c.CBK.MODELKIT, Clazz.newArray (-1, [sJmol, state])); +}, "~N"); Clazz.defineMethod (c$, "setStatusFrameChanged", function (fileNo, modelNo, firstNo, lastNo, currentFrame, currentMorphModel, entryName) { if (this.vwr.ms == null) return; diff --git a/qmpy/web/static/js/jsmol/j2s/JV/Viewer.js b/qmpy/web/static/js/jsmol/j2s/JV/Viewer.js index ae96767a..e1d7e401 100644 --- a/qmpy/web/static/js/jsmol/j2s/JV/Viewer.js +++ b/qmpy/web/static/js/jsmol/j2s/JV/Viewer.js @@ -69,6 +69,17 @@ this.errorMessage = null; this.errorMessageUntranslated = null; this.privateKey = 0; this.dataOnly = false; +this.maximumSize = 2147483647; +this.gRight = null; +this.isStereoSlave = false; +this.imageFontScaling = 1; +this.antialiased = false; +this.prevFrame = -2147483648; +this.prevMorphModel = 0; +this.haveJDX = false; +this.jsv = null; +this.outputManager = null; +this.jzt = null; this.isPreviewOnly = false; this.headless = false; this.movableBitSet = null; @@ -85,23 +96,15 @@ this.motionEventNumber = 0; this.inMotion = false; this.refreshing = true; this.axesAreTainted = false; -this.maximumSize = 2147483647; -this.gRight = null; -this.isStereoSlave = false; -this.imageFontScaling = 1; this.captureParams = null; this.jsParams = null; -this.antialiased = false; +this.cirChecked = false; this.hoverAtomIndex = -1; this.hoverText = null; this.hoverLabel = "%U"; this.hoverEnabled = true; this.currentCursor = 0; this.ptTemp = null; -this.prevFrame = -2147483648; -this.prevMorphModel = 0; -this.haveJDX = false; -this.jsv = null; this.selectionHalosEnabled = false; this.frankOn = true; this.noFrankEcho = true; @@ -117,7 +120,6 @@ this.movingSelected = false; this.showSelected = false; this.atomHighlighted = -1; this.creatingImage = false; -this.outputManager = null; this.bsUserVdws = null; this.userVdws = null; this.userVdwMars = null; @@ -133,13 +135,13 @@ this.timeouts = null; this.chainCaseSpecified = false; this.nmrCalculation = null; this.logFileName = null; -this.jzt = null; this.jbr = null; this.jcm = null; this.jsonParser = null; this.triangulator = null; this.nboParser = null; this.macros = null; +this.consoleFontScale = 1; Clazz.instantialize (this, arguments); }, JV, "Viewer", J.api.JmolViewer, [J.atomdata.AtomDataServer, J.api.PlatformViewer]); Clazz.defineMethod (c$, "finalize", @@ -252,16 +254,14 @@ var applet = null; var jmol = null; var javaver = "?"; { -if(self.Jmol) { -jmol = Jmol; -applet = +if(self.Jmol) { jmol = Jmol; applet = Jmol._applets[this.htmlName.split("_object")[0]]; javaver = Jmol._version; } }if (javaver != null) { this.html5Applet = applet; JV.Viewer.jmolObject = jmol; JV.Viewer.strJavaVersion = javaver; -JV.Viewer.strJavaVendor = "Java2Script " + ((this, JV.Viewer).isWebGL ? "(WebGL)" : "(HTML5)"); +JV.Viewer.strJavaVendor = "Java2Script " + (JV.Viewer.isWebGL ? "(WebGL)" : "(HTML5)"); }o = J.api.Interface.getInterface (platform, this, "setOptions"); }this.apiPlatform = o; this.display = info.get ("display"); @@ -353,14 +353,482 @@ this.setStartupBooleans (); this.setIntProperty ("_nProcessors", JV.Viewer.nProcessors); if (!this.isSilent) { JU.Logger.info ("(C) 2015 Jmol Development" + "\nJmol Version: " + JV.Viewer.getJmolVersion () + "\njava.vendor: " + JV.Viewer.strJavaVendor + "\njava.version: " + JV.Viewer.strJavaVersion + "\nos.name: " + JV.Viewer.strOSName + "\nAccess: " + this.access + "\nmemory: " + this.getP ("_memory") + "\nprocessors available: " + JV.Viewer.nProcessors + "\nuseCommandThread: " + this.useCommandThread + (!this.isApplet ? "" : "\nappletId:" + this.htmlName + (this.isSignedApplet ? " (signed)" : ""))); -}if (this.allowScripting) this.getScriptManager (); -this.zap (false, true, false); +}this.zap (false, true, false); this.g.setO ("language", J.i18n.GT.getLanguage ()); this.g.setO ("_hoverLabel", this.hoverLabel); this.stm.setJmolDefaults (); JU.Elements.covalentVersion = 1; this.allowArrayDotNotation = true; +if (this.allowScripting) this.getScriptManager (); }, "java.util.Map"); +Clazz.defineMethod (c$, "setMaximumSize", + function (x) { +this.maximumSize = Math.max (x, 100); +}, "~N"); +Clazz.defineMethod (c$, "setStereo", +function (isStereoSlave, gRight) { +this.isStereoSlave = isStereoSlave; +this.gRight = gRight; +}, "~B,~O"); +Clazz.defineMethod (c$, "getMenu", +function (type) { +this.getPopupMenu (); +if (type.equals ("\0")) { +this.popupMenu (this.screenWidth - 120, 0, 'j'); +return "OK"; +}return (this.jmolpopup == null ? "" : this.jmolpopup.jpiGetMenuAsString ("Jmol version " + JV.Viewer.getJmolVersion () + "|_GET_MENU|" + type)); +}, "~S"); +Clazz.overrideMethod (c$, "resizeInnerPanel", +function (width, height) { +if (!this.autoExit && this.haveDisplay) return this.sm.resizeInnerPanel (width, height); +this.setScreenDimension (width, height); +return Clazz.newIntArray (-1, [this.screenWidth, this.screenHeight]); +}, "~N,~N"); +Clazz.overrideMethod (c$, "setScreenDimension", +function (width, height) { +height = Math.min (height, this.maximumSize); +width = Math.min (width, this.maximumSize); +if (this.tm.stereoDoubleFull) width = Clazz.doubleToInt ((width + 1) / 2); +if (this.screenWidth == width && this.screenHeight == height) return; +this.resizeImage (width, height, false, false, true); +}, "~N,~N"); +Clazz.defineMethod (c$, "resizeImage", +function (width, height, isImageWrite, isExport, isReset) { +if (!isImageWrite && this.creatingImage) return; +var wasAntialiased = this.antialiased; +this.antialiased = (isReset ? this.g.antialiasDisplay && this.checkMotionRendering (603979786) : isImageWrite && !isExport ? this.g.antialiasImages : false); +if (!isExport && !isImageWrite && (width > 0 || wasAntialiased != this.antialiased)) this.setShapeProperty (5, "clearBoxes", null); +this.imageFontScaling = (this.antialiased ? 2 : 1) * (isReset || this.tm.scale3D || width <= 0 ? 1 : (this.g.zoomLarge == (height > width) ? height : width) * 1 / this.getScreenDim ()); +if (width > 0) { +this.screenWidth = width; +this.screenHeight = height; +if (!isImageWrite) { +this.g.setI ("_width", width); +this.g.setI ("_height", height); +}} else { +width = (this.screenWidth == 0 ? this.screenWidth = 500 : this.screenWidth); +height = (this.screenHeight == 0 ? this.screenHeight = 500 : this.screenHeight); +}this.tm.setScreenParameters (width, height, isImageWrite || isReset ? this.g.zoomLarge : false, this.antialiased, false, false); +this.gdata.setWindowParameters (width, height, this.antialiased); +if (width > 0 && !isImageWrite) this.setStatusResized (width, height); +}, "~N,~N,~B,~B,~B"); +Clazz.overrideMethod (c$, "getScreenWidth", +function () { +return this.screenWidth; +}); +Clazz.overrideMethod (c$, "getScreenHeight", +function () { +return this.screenHeight; +}); +Clazz.defineMethod (c$, "getScreenDim", +function () { +return (this.g.zoomLarge == (this.screenHeight > this.screenWidth) ? this.screenHeight : this.screenWidth); +}); +Clazz.defineMethod (c$, "setWidthHeightVar", +function () { +this.g.setI ("_width", this.screenWidth); +this.g.setI ("_height", this.screenHeight); +}); +Clazz.defineMethod (c$, "getBoundBoxCenterX", +function () { +return Clazz.doubleToInt (this.screenWidth / 2); +}); +Clazz.defineMethod (c$, "getBoundBoxCenterY", +function () { +return Clazz.doubleToInt (this.screenHeight / 2); +}); +Clazz.defineMethod (c$, "updateWindow", + function (width, height) { +if (!this.refreshing || this.creatingImage) return (this.refreshing ? false : !JV.Viewer.isJS); +if (this.isTainted || this.tm.slabEnabled) this.setModelVisibility (); +this.isTainted = false; +if (this.rm != null) { +if (width != 0) this.setScreenDimension (width, height); +}return true; +}, "~N,~N"); +Clazz.defineMethod (c$, "getImage", + function (isDouble, isImageWrite) { +var image = null; +try { +this.beginRendering (isDouble, isImageWrite); +this.render (); +this.gdata.endRendering (); +image = this.gdata.getScreenImage (isImageWrite); +} catch (e$$) { +if (Clazz.exceptionOf (e$$, Error)) { +var er = e$$; +{ +this.gdata.getScreenImage (isImageWrite); +this.handleError (er, false); +this.setErrorMessage ("Error during rendering: " + er, null); +} +} else if (Clazz.exceptionOf (e$$, Exception)) { +var e = e$$; +{ +System.out.println ("render error" + e); +} +} else { +throw e$$; +} +} +return image; +}, "~B,~B"); +Clazz.defineMethod (c$, "beginRendering", + function (isDouble, isImageWrite) { +this.gdata.beginRendering (this.tm.getStereoRotationMatrix (isDouble), this.g.translucent, isImageWrite, !this.checkMotionRendering (603979967)); +}, "~B,~B"); +Clazz.defineMethod (c$, "render", + function () { +if (this.mm.modelSet == null || !this.mustRender || !this.refreshing && !this.creatingImage || this.rm == null) return; +var antialias2 = this.antialiased && this.g.antialiasTranslucent; +var navMinMax = this.shm.finalizeAtoms (this.tm.bsSelectedAtoms, true); +if (JV.Viewer.isWebGL) { +this.rm.renderExport (this.gdata, this.ms, this.jsParams); +this.notifyViewerRepaintDone (); +return; +}this.rm.render (this.gdata, this.ms, true, navMinMax); +if (this.gdata.setPass2 (antialias2)) { +this.tm.setAntialias (antialias2); +this.rm.render (this.gdata, this.ms, false, null); +this.tm.setAntialias (this.antialiased); +}}); +Clazz.defineMethod (c$, "drawImage", + function (graphic, img, x, y, isDTI) { +if (graphic != null && img != null) { +this.apiPlatform.drawImage (graphic, img, x, y, this.screenWidth, this.screenHeight, isDTI); +}this.gdata.releaseScreenImage (); +}, "~O,~O,~N,~N,~B"); +Clazz.defineMethod (c$, "getScreenImage", +function () { +return this.getScreenImageBuffer (null, true); +}); +Clazz.overrideMethod (c$, "getScreenImageBuffer", +function (g, isImageWrite) { +if (JV.Viewer.isWebGL) return (isImageWrite ? this.apiPlatform.allocateRgbImage (0, 0, null, 0, false, true) : null); +var isDouble = this.tm.stereoDoubleFull || this.tm.stereoDoubleDTI; +var isBicolor = this.tm.stereoMode.isBiColor (); +var mergeImages = (g == null && isDouble); +var imageBuffer; +if (isBicolor) { +this.beginRendering (true, isImageWrite); +this.render (); +this.gdata.endRendering (); +this.gdata.snapshotAnaglyphChannelBytes (); +this.beginRendering (false, isImageWrite); +this.render (); +this.gdata.endRendering (); +this.gdata.applyAnaglygh (this.tm.stereoMode, this.tm.stereoColors); +imageBuffer = this.gdata.getScreenImage (isImageWrite); +} else { +imageBuffer = this.getImage (isDouble, isImageWrite); +}var imageBuffer2 = null; +if (mergeImages) { +imageBuffer2 = this.apiPlatform.newBufferedImage (imageBuffer, (this.tm.stereoDoubleDTI ? this.screenWidth : this.screenWidth << 1), this.screenHeight); +g = this.apiPlatform.getGraphics (imageBuffer2); +}if (g != null) { +if (isDouble) { +if (this.tm.stereoMode === J.c.STER.DTI) { +this.drawImage (g, imageBuffer, this.screenWidth >> 1, 0, true); +imageBuffer = this.getImage (false, false); +this.drawImage (g, imageBuffer, 0, 0, true); +g = null; +} else { +this.drawImage (g, imageBuffer, this.screenWidth, 0, false); +imageBuffer = this.getImage (false, false); +}}if (g != null) this.drawImage (g, imageBuffer, 0, 0, false); +}return (mergeImages ? imageBuffer2 : imageBuffer); +}, "~O,~B"); +Clazz.defineMethod (c$, "evalStringWaitStatusQueued", +function (returnType, strScript, statusList, isQuiet, isQueued) { +{ +if (strScript.indexOf("JSCONSOLE") == 0) { +this.html5Applet._showInfo(strScript.indexOf("CLOSE")<0); if +(strScript.indexOf("CLEAR") >= 0) +this.html5Applet._clearConsole(); return null; } +}return (this.getScriptManager () == null ? null : this.scm.evalStringWaitStatusQueued (returnType, strScript, statusList, isQuiet, isQueued)); +}, "~S,~S,~S,~B,~B"); +Clazz.defineMethod (c$, "popupMenu", +function (x, y, type) { +if (!this.haveDisplay || !this.refreshing || this.isPreviewOnly || this.g.disablePopupMenu) return; +switch (type) { +case 'j': +try { +this.getPopupMenu (); +this.jmolpopup.jpiShow (x, y); +} catch (e) { +JU.Logger.info (e.toString ()); +this.g.disablePopupMenu = true; +} +break; +case 'a': +case 'b': +case 'm': +if (this.getModelkit (true) == null) { +return; +}this.modelkit.jpiShow (x, y); +break; +} +}, "~N,~N,~S"); +Clazz.defineMethod (c$, "getModelkit", +function (andShow) { +if (this.modelkit == null) { +this.modelkit = this.apiPlatform.getMenuPopup (null, 'm'); +} else if (andShow) { +this.modelkit.jpiUpdateComputedMenus (); +}return this.modelkit; +}, "~B"); +Clazz.defineMethod (c$, "getPopupMenu", +function () { +if (this.g.disablePopupMenu) return null; +if (this.jmolpopup == null) { +this.jmolpopup = (this.allowScripting ? this.apiPlatform.getMenuPopup (this.menuStructure, 'j') : null); +if (this.jmolpopup == null && !this.async) { +this.g.disablePopupMenu = true; +return null; +}}return this.jmolpopup.jpiGetMenuAsObject (); +}); +Clazz.overrideMethod (c$, "setMenu", +function (fileOrText, isFile) { +if (isFile) JU.Logger.info ("Setting menu " + (fileOrText.length == 0 ? "to Jmol defaults" : "from file " + fileOrText)); +if (fileOrText.length == 0) fileOrText = null; + else if (isFile) fileOrText = this.getFileAsString3 (fileOrText, false, null); +this.getProperty ("DATA_API", "setMenu", fileOrText); +this.sm.setCallbackFunction ("menu", fileOrText); +}, "~S,~B"); +Clazz.defineMethod (c$, "setStatusFrameChanged", +function (isVib, doNotify) { +if (isVib) { +this.prevFrame = -2147483648; +}this.tm.setVibrationPeriod (NaN); +var firstIndex = this.am.firstFrameIndex; +var lastIndex = this.am.lastFrameIndex; +var isMovie = this.am.isMovie; +var modelIndex = this.am.cmi; +if (firstIndex == lastIndex && !isMovie) modelIndex = firstIndex; +var frameID = this.getModelFileNumber (modelIndex); +var currentFrame = this.am.cmi; +var fileNo = frameID; +var modelNo = frameID % 1000000; +var firstNo = (isMovie ? firstIndex : this.getModelFileNumber (firstIndex)); +var lastNo = (isMovie ? lastIndex : this.getModelFileNumber (lastIndex)); +var strModelNo; +if (isMovie) { +strModelNo = "" + (currentFrame + 1); +} else if (fileNo == 0) { +strModelNo = this.getModelNumberDotted (firstIndex); +if (firstIndex != lastIndex) strModelNo += " - " + this.getModelNumberDotted (lastIndex); +if (Clazz.doubleToInt (firstNo / 1000000) == Clazz.doubleToInt (lastNo / 1000000)) fileNo = firstNo; +} else { +strModelNo = this.getModelNumberDotted (modelIndex); +}if (fileNo != 0) fileNo = (fileNo < 1000000 ? 1 : Clazz.doubleToInt (fileNo / 1000000)); +if (!isMovie) { +this.g.setI ("_currentFileNumber", fileNo); +this.g.setI ("_currentModelNumberInFile", modelNo); +}var currentMorphModel = this.am.currentMorphModel; +this.g.setI ("_currentFrame", currentFrame); +this.g.setI ("_morphCount", this.am.morphCount); +this.g.setF ("_currentMorphFrame", currentMorphModel); +this.g.setI ("_frameID", frameID); +this.g.setI ("_modelIndex", modelIndex); +this.g.setO ("_modelNumber", strModelNo); +this.g.setO ("_modelName", (modelIndex < 0 ? "" : this.getModelName (modelIndex))); +var title = (modelIndex < 0 ? "" : this.ms.getModelTitle (modelIndex)); +this.g.setO ("_modelTitle", title == null ? "" : title); +this.g.setO ("_modelFile", (modelIndex < 0 ? "" : this.ms.getModelFileName (modelIndex))); +this.g.setO ("_modelType", (modelIndex < 0 ? "" : this.ms.getModelFileType (modelIndex))); +if (currentFrame == this.prevFrame && currentMorphModel == this.prevMorphModel) return; +this.prevFrame = currentFrame; +this.prevMorphModel = currentMorphModel; +var entryName = this.getModelName (currentFrame); +if (isMovie) { +entryName = "" + (entryName === "" ? currentFrame + 1 : this.am.caf + 1) + ": " + entryName; +} else { +var script = "" + this.getModelNumberDotted (currentFrame); +if (!entryName.equals (script)) entryName = script + ": " + entryName; +}this.sm.setStatusFrameChanged (fileNo, modelNo, (this.am.animationDirection < 0 ? -firstNo : firstNo), (this.am.currentDirection < 0 ? -lastNo : lastNo), currentFrame, currentMorphModel, entryName); +if (this.doHaveJDX ()) this.getJSV ().setModel (modelIndex); +if (JV.Viewer.isJS) this.updateJSView (modelIndex, -1); +}, "~B,~B"); +Clazz.defineMethod (c$, "doHaveJDX", + function () { +return (this.haveJDX || (this.haveJDX = this.getBooleanProperty ("_JSpecView".toLowerCase ()))); +}); +Clazz.defineMethod (c$, "getJSV", +function () { +if (this.jsv == null) { +this.jsv = J.api.Interface.getOption ("jsv.JSpecView", this, "script"); +this.jsv.setViewer (this); +}return this.jsv; +}); +Clazz.defineMethod (c$, "getJDXBaseModelIndex", +function (modelIndex) { +if (!this.doHaveJDX ()) return modelIndex; +return this.getJSV ().getBaseModelIndex (modelIndex); +}, "~N"); +Clazz.defineMethod (c$, "getJspecViewProperties", +function (myParam) { +var o = this.sm.getJspecViewProperties ("" + myParam); +if (o != null) this.haveJDX = true; +return o; +}, "~O"); +Clazz.defineMethod (c$, "scriptEcho", +function (strEcho) { +if (!JU.Logger.isActiveLevel (4)) return; +if (JV.Viewer.isJS) System.out.println (strEcho); +this.sm.setScriptEcho (strEcho, this.isScriptQueued ()); +if (this.listCommands && strEcho != null && strEcho.indexOf ("$[") == 0) JU.Logger.info (strEcho); +}, "~S"); +Clazz.defineMethod (c$, "isScriptQueued", + function () { +return this.scm != null && this.scm.isScriptQueued (); +}); +Clazz.defineMethod (c$, "notifyError", +function (errType, errMsg, errMsgUntranslated) { +this.g.setO ("_errormessage", errMsgUntranslated); +this.sm.notifyError (errType, errMsg, errMsgUntranslated); +}, "~S,~S,~S"); +Clazz.defineMethod (c$, "jsEval", +function (strEval) { +return "" + this.sm.jsEval (strEval); +}, "~S"); +Clazz.defineMethod (c$, "jsEvalSV", +function (strEval) { +return JS.SV.getVariable (JV.Viewer.isJS ? this.sm.jsEval (strEval) : this.jsEval (strEval)); +}, "~S"); +Clazz.defineMethod (c$, "setFileLoadStatus", + function (ptLoad, fullPathName, fileName, modelName, strError, isAsync) { +this.setErrorMessage (strError, null); +this.g.setI ("_loadPoint", ptLoad.getCode ()); +var doCallback = (ptLoad !== J.c.FIL.CREATING_MODELSET); +if (doCallback) this.setStatusFrameChanged (false, false); +this.sm.setFileLoadStatus (fullPathName, fileName, modelName, strError, ptLoad.getCode (), doCallback, isAsync); +if (doCallback) { +if (this.doHaveJDX ()) this.getJSV ().setModel (this.am.cmi); +if (JV.Viewer.isJS) this.updateJSView (this.am.cmi, -2); +}}, "J.c.FIL,~S,~S,~S,~S,Boolean"); +Clazz.defineMethod (c$, "getZapName", +function () { +return (this.g.modelKitMode ? "Jmol Model Kit" : "zapped"); +}); +Clazz.defineMethod (c$, "setStatusMeasuring", +function (status, intInfo, strMeasure, value) { +this.sm.setStatusMeasuring (status, intInfo, strMeasure, value); +}, "~S,~N,~S,~N"); +Clazz.defineMethod (c$, "notifyMinimizationStatus", +function () { +var step = this.getP ("_minimizationStep"); +var ff = this.getP ("_minimizationForceField"); +this.sm.notifyMinimizationStatus (this.getP ("_minimizationStatus"), Clazz.instanceOf (step, String) ? Integer.$valueOf (0) : step, this.getP ("_minimizationEnergy"), (step.toString ().equals ("0") ? Float.$valueOf (0) : this.getP ("_minimizationEnergyDiff")), ff); +}); +Clazz.defineMethod (c$, "setStatusAtomPicked", +function (atomIndex, info, map, andSelect) { +if (andSelect) this.setSelectionSet (JU.BSUtil.newAndSetBit (atomIndex)); +if (info == null) { +info = this.g.pickLabel; +info = (info.length == 0 ? this.getAtomInfoXYZ (atomIndex, this.g.messageStyleChime) : this.ms.getAtomInfo (atomIndex, info, this.ptTemp)); +}this.setPicked (atomIndex, false); +if (atomIndex < 0) { +var m = this.getPendingMeasurement (); +if (m != null) info = info.substring (0, info.length - 1) + ",\"" + m.getString () + "\"]"; +}this.g.setO ("_pickinfo", info); +this.sm.setStatusAtomPicked (atomIndex, info, map); +if (atomIndex < 0) return; +var syncMode = this.sm.getSyncMode (); +if (syncMode == 1 && this.doHaveJDX ()) this.getJSV ().atomPicked (atomIndex); +if (JV.Viewer.isJS) this.updateJSView (this.ms.at[atomIndex].mi, atomIndex); +}, "~N,~S,java.util.Map,~B"); +Clazz.overrideMethod (c$, "getProperty", +function (returnType, infoType, paramInfo) { +if (!"DATA_API".equals (returnType)) return this.getPropertyManager ().getProperty (returnType, infoType, paramInfo); +switch (("scriptCheck.........consoleText.........scriptEditor........scriptEditorState...getAppConsole.......getScriptEditor.....setMenu.............spaceGroupInfo......disablePopupMenu....defaultDirectory....getPopupMenu........shapeManager........getPreference.......").indexOf (infoType)) { +case 0: +return this.scriptCheckRet (paramInfo, true); +case 20: +return (this.appConsole == null ? "" : this.appConsole.getText ()); +case 40: +this.showEditor (paramInfo); +return null; +case 60: +this.scriptEditorVisible = (paramInfo).booleanValue (); +return null; +case 80: +if (this.$isKiosk) { +this.appConsole = null; +} else if (Clazz.instanceOf (paramInfo, J.api.JmolAppConsoleInterface)) { +this.appConsole = paramInfo; +} else if (paramInfo != null && !(paramInfo).booleanValue ()) { +this.appConsole = null; +} else if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { +if (JV.Viewer.isJS) { +this.appConsole = J.api.Interface.getOption ("consolejs.AppletConsole", this, "script"); +}{ +}if (this.appConsole != null) this.appConsole.start (this); +}this.scriptEditor = (JV.Viewer.isJS || this.appConsole == null ? null : this.appConsole.getScriptEditor ()); +return this.appConsole; +case 100: +if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { +this.getProperty ("DATA_API", "getAppConsole", Boolean.TRUE); +this.scriptEditor = (this.appConsole == null ? null : this.appConsole.getScriptEditor ()); +}return this.scriptEditor; +case 120: +if (this.jmolpopup != null) this.jmolpopup.jpiDispose (); +this.jmolpopup = null; +return this.menuStructure = paramInfo; +case 140: +return this.getSymTemp ().getSpaceGroupInfo (this.ms, null, -1, false, null); +case 160: +this.g.disablePopupMenu = true; +return null; +case 180: +return this.g.defaultDirectory; +case 200: +if (Clazz.instanceOf (paramInfo, String)) return this.getMenu (paramInfo); +return this.getPopupMenu (); +case 220: +return this.shm.getProperty (paramInfo); +case 240: +return this.sm.syncSend ("getPreference", paramInfo, 1); +} +JU.Logger.error ("ERROR in getProperty DATA_API: " + infoType); +return null; +}, "~S,~S,~O"); +Clazz.defineMethod (c$, "notifyMouseClicked", +function (x, y, action, mode) { +var modifiers = JV.binding.Binding.getButtonMods (action); +var clickCount = JV.binding.Binding.getClickCount (action); +this.g.setI ("_mouseX", x); +this.g.setI ("_mouseY", this.screenHeight - y); +this.g.setI ("_mouseAction", action); +this.g.setI ("_mouseModifiers", modifiers); +this.g.setI ("_clickCount", clickCount); +return this.sm.setStatusClicked (x, this.screenHeight - y, action, clickCount, mode); +}, "~N,~N,~N,~N"); +Clazz.defineMethod (c$, "getOutputManager", + function () { +if (this.outputManager != null) return this.outputManager; +return (this.outputManager = J.api.Interface.getInterface ("JV.OutputManager" + (JV.Viewer.isJS ? "JS" : "Awt"), this, "file")).setViewer (this, this.privateKey); +}); +Clazz.defineMethod (c$, "getJzt", +function () { +return (this.jzt == null ? this.jzt = J.api.Interface.getInterface ("JU.ZipTools", this, "zip") : this.jzt); +}); +Clazz.defineMethod (c$, "readFileAsMap", +function (bis, map, name) { +this.getJzt ().readFileAsMap (bis, map, name); +}, "java.io.BufferedInputStream,java.util.Map,~S"); +Clazz.defineMethod (c$, "getZipDirectoryAsString", +function (fileName) { +var t = this.fm.getBufferedInputStreamOrErrorMessageFromName (fileName, fileName, false, false, null, false, true); +return this.getJzt ().getZipDirectoryAsStringAndClose (t); +}, "~S"); +Clazz.overrideMethod (c$, "getImageAsBytes", +function (type, width, height, quality, errMsg) { +return this.getOutputManager ().getImageAsBytes (type, width, height, quality, errMsg); +}, "~S,~N,~N,~N,~A"); +Clazz.overrideMethod (c$, "releaseScreenImage", +function () { +this.gdata.releaseScreenImage (); +}); Clazz.defineMethod (c$, "setDisplay", function (canvas) { this.display = canvas; @@ -388,7 +856,7 @@ if (this.useCommandThread) this.scm.startCommandWatcher (true); }); Clazz.defineMethod (c$, "checkOption2", function (key1, key2) { -return (this.vwrOptions.containsKey (key1) || this.commandOptions.indexOf (key2) >= 0); +return (this.vwrOptions.containsKey (key1) && !this.vwrOptions.get (key1).toString ().equals ("false") || this.commandOptions.indexOf (key2) >= 0); }, "~S,~S"); Clazz.defineMethod (c$, "setStartupBooleans", function () { @@ -467,11 +935,6 @@ this.setBooleanProperty ("antialiasDisplay", (isPyMOL ? true : this.g.antialiasD this.stm.resetLighting (); this.tm.setDefaultPerspective (); }, "~B,~B"); -Clazz.defineMethod (c$, "setWidthHeightVar", -function () { -this.g.setI ("_width", this.screenWidth); -this.g.setI ("_height", this.screenHeight); -}); Clazz.defineMethod (c$, "saveModelOrientation", function () { this.ms.saveModelOrientation (this.am.cmi, this.stm.getOrientation ()); @@ -501,19 +964,9 @@ var pd = tm.perspectiveDepth; var width = tm.width; var height = tm.height; { -return { -center:center, -quaternion:q, -xtrans:xtrans, -ytrans:ytrans, -scale:scale, -zoom:zoom, -cameraDistance:cd, -pixelCount:pc, -perspective:pd, -width:width, -height:height -}; +return { center:center, quaternion:q, xtrans:xtrans, +ytrans:ytrans, scale:scale, zoom:zoom, cameraDistance:cd, +pixelCount:pc, perspective:pd, width:width, height:height }; }}); Clazz.defineMethod (c$, "setRotationRadius", function (angstroms, doAll) { @@ -962,14 +1415,19 @@ var filter = this.g.defaultLoadFilter; if (filter.length > 0) htParams.put ("filter", filter); }var merging = (isAppend && !this.g.appendNew && this.ms.ac > 0); htParams.put ("baseAtomIndex", Integer.$valueOf (isAppend ? this.ms.ac : 0)); +htParams.put ("baseBondIndex", Integer.$valueOf (isAppend ? this.ms.bondCount : 0)); htParams.put ("baseModelIndex", Integer.$valueOf (this.ms.ac == 0 ? 0 : this.ms.mc + (merging ? -1 : 0))); if (merging) htParams.put ("merging", Boolean.TRUE); return htParams; }, "java.util.Map,~B"); Clazz.overrideMethod (c$, "openFileAsyncSpecial", function (fileName, flags) { -this.getScriptManager ().openFileAsync (fileName, flags); +this.getScriptManager ().openFileAsync (fileName, flags, false); }, "~S,~N"); +Clazz.defineMethod (c$, "openFileDropped", +function (fname, checkDims) { +this.getScriptManager ().openFileAsync (fname, 16, checkDims); +}, "~S,~B"); Clazz.overrideMethod (c$, "openFile", function (fileName) { this.zap (true, true, false); @@ -1132,7 +1590,7 @@ if (strModel == null) if (this.g.modelKitMode) strModel = "5\n\nC 0 0 0\nH .63 . if (loadScript != null) htParams.put ("loadScript", loadScript = new JU.SB ().append (JU.PT.rep (loadScript.toString (), "/*file*/$FILENAME$", "/*data*/data \"model inline\"\n" + strModel + "end \"model inline\""))); }if (strModel != null) { if (!isAppend) this.zap (true, false, false); -if (!isLoadVariable && (!haveFileData || isString)) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, this.g.defaultLoadFilter); +if (!isLoadVariable && (!haveFileData || isString)) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, htParams.get ("appendToModelIndex"), this.g.defaultLoadFilter); atomSetCollection = this.fm.createAtomSetCollectionFromString (strModel, htParams, isAppend); } else { atomSetCollection = this.fm.createAtomSetCollectionFromFile (fileName, htParams, isAppend); @@ -1238,7 +1696,7 @@ var loadScript = htParams.get ("loadScript"); var isLoadCommand = htParams.containsKey ("isData"); if (loadScript == null) loadScript = new JU.SB (); if (!isAppend) this.zap (true, false, false); -if (!isLoadCommand) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, this.g.defaultLoadFilter); +if (!isLoadCommand) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, htParams.get ("appendToModelIndex"), this.g.defaultLoadFilter); var atomSetCollection = this.fm.createAtomSetCollectionFromString (strModel, htParams, isAppend); return this.createModelSetAndReturnError (atomSetCollection, isAppend, loadScript, htParams); }, "~S,java.util.Map,~B"); @@ -1281,17 +1739,23 @@ var bsNew = new JU.BS (); this.mm.createModelSet (fullPathName, fileName, loadScript, atomSetCollection, bsNew, isAppend); if (bsNew.cardinality () > 0) { var jmolScript = this.ms.getInfoM ("jmolscript"); -if (this.ms.getMSInfoB ("doMinimize")) try { +if (this.ms.getMSInfoB ("doMinimize")) { +try { var eval = htParams.get ("eval"); -this.minimize (eval, 2147483647, 0, bsNew, null, 0, true, true, true, true); +var stereo = this.getAtomBitSet ("_C & connected(3) & !connected(double)"); +stereo.and (bsNew); +if (stereo.nextSetBit (0) >= 0) { +bsNew.or (this.addHydrogens (stereo, 21)); +}this.minimize (eval, 2147483647, 0, bsNew, null, 0, 29); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { } else { throw e; } } - else this.addHydrogens (bsNew, false, true); -if (jmolScript != null) this.ms.msInfo.put ("jmolscript", jmolScript); +} else { +this.addHydrogens (bsNew, 5); +}if (jmolScript != null) this.ms.msInfo.put ("jmolscript", jmolScript); }this.initializeModel (isAppend); } catch (er) { if (Clazz.exceptionOf (er, Error)) { @@ -1491,10 +1955,7 @@ this.setBooleanProperty ("legacyjavafloat", false); if (resetUndo) { if (zapModelKit) this.g.removeParam ("_pngjFile"); if (zapModelKit && this.g.modelKitMode) { -this.openStringInlineParamsAppend ("5\n\nC 0 0 0\nH .63 .63 .63\nH -.63 -.63 .63\nH -.63 .63 -.63\nH .63 -.63 -.63", null, true); -this.setRotationRadius (5.0, true); -this.setStringProperty ("picking", "assignAtom_C"); -this.setStringProperty ("picking", "assignBond_p"); +this.loadDefaultModelKitModel (null); }this.undoClear (); }System.gc (); }this.initializeModel (false); @@ -1502,6 +1963,13 @@ if (notify) { this.setFileLoadStatus (J.c.FIL.ZAPPED, null, (resetUndo ? "resetUndo" : this.getZapName ()), null, null, null); }if (JU.Logger.debugging) JU.Logger.checkMemory (); }, "~B,~B,~B"); +Clazz.defineMethod (c$, "loadDefaultModelKitModel", + function (htParams) { +this.openStringInlineParamsAppend (this.getModelkit (false).getDefaultModel (), htParams, true); +this.setRotationRadius (5.0, true); +this.setStringProperty ("picking", "assignAtom_C"); +this.setStringProperty ("picking", "assignBond_p"); +}, "java.util.Map"); Clazz.defineMethod (c$, "zapMsg", function (msg) { this.zap (true, true, false); @@ -1564,17 +2032,38 @@ var symmetry = this.getCurrentUnitCell (); return (symmetry == null ? NaN : symmetry.getUnitCellInfoType (infoType)); }, "~N"); Clazz.defineMethod (c$, "getV0abc", -function (def) { -var uc = this.getCurrentUnitCell (); +function (iModel, def) { +var uc = (iModel < 0 ? this.getCurrentUnitCell () : this.getUnitCell (iModel)); return (uc == null ? null : uc.getV0abc (def)); -}, "~O"); +}, "~N,~O"); +Clazz.defineMethod (c$, "getCurrentUnitCell", +function () { +var iAtom = this.am.getUnitCellAtomIndex (); +if (iAtom >= 0) return this.ms.getUnitCellForAtom (iAtom); +return this.getUnitCell (this.am.cmi); +}); +Clazz.defineMethod (c$, "getUnitCell", + function (m) { +if (m >= 0) return this.ms.getUnitCell (m); +var models = this.getVisibleFramesBitSet (); +var ucLast = null; +for (var i = models.nextSetBit (0); i >= 0; i = models.nextSetBit (i + 1)) { +var uc = this.ms.getUnitCell (i); +if (uc == null) continue; +if (ucLast == null) { +ucLast = uc; +continue; +}if (!ucLast.unitCellEquals (uc)) return null; +} +return ucLast; +}, "~N"); Clazz.defineMethod (c$, "getPolymerPointsAndVectors", function (bs, vList) { this.ms.getPolymerPointsAndVectors (bs, vList, this.g.traceAlpha, this.g.sheetSmoothing); }, "JU.BS,JU.Lst"); Clazz.defineMethod (c$, "getHybridizationAndAxes", function (atomIndex, z, x, lcaoType) { -return this.ms.getHybridizationAndAxes (atomIndex, 0, z, x, lcaoType, true, true); +return this.ms.getHybridizationAndAxes (atomIndex, 0, z, x, lcaoType, true, true, false); }, "~N,JU.V3,JU.V3,~S"); Clazz.defineMethod (c$, "getAllAtoms", function () { @@ -1601,14 +2090,6 @@ Clazz.overrideMethod (c$, "getBoundBoxCornerVector", function () { return this.ms.getBoundBoxCornerVector (); }); -Clazz.defineMethod (c$, "getBoundBoxCenterX", -function () { -return Clazz.doubleToInt (this.screenWidth / 2); -}); -Clazz.defineMethod (c$, "getBoundBoxCenterY", -function () { -return Clazz.doubleToInt (this.screenHeight / 2); -}); Clazz.overrideMethod (c$, "getModelSetProperties", function () { return this.ms.modelSetProperties; @@ -1617,6 +2098,10 @@ Clazz.overrideMethod (c$, "getModelProperties", function (modelIndex) { return this.ms.am[modelIndex].properties; }, "~N"); +Clazz.defineMethod (c$, "getModelForAtomIndex", +function (iatom) { +return this.ms.am[this.ms.at[iatom].mi]; +}, "~N"); Clazz.overrideMethod (c$, "getModelSetAuxiliaryInfo", function () { return this.ms.getAuxiliaryInfo (null); @@ -1651,7 +2136,7 @@ return !this.g.disablePopupMenu && this.getShowFrank () && this.shm.checkFrankcl }, "~N,~N"); Clazz.defineMethod (c$, "frankClickedModelKit", function (x, y) { -return !this.g.disablePopupMenu && this.g.modelKitMode && x >= 0 && y >= 0 && x < 40 && y < 80; +return !this.g.disablePopupMenu && this.g.modelKitMode && x >= 0 && y >= 0 && x < 40 && y < 104; }, "~N,~N"); Clazz.overrideMethod (c$, "findNearestAtomIndex", function (x, y) { @@ -1815,23 +2300,6 @@ function (bsFrom, bsTo, onlyIfHaveCalculated) { if (bsFrom == null) bsFrom = bsTo = this.bsA (); return this.ms.autoHbond (bsFrom, bsTo, onlyIfHaveCalculated); }, "JU.BS,JU.BS,~B"); -Clazz.defineMethod (c$, "getCurrentUnitCell", -function () { -if (this.am.cai >= 0) return this.ms.getUnitCellForAtom (this.am.cai); -var m = this.am.cmi; -if (m >= 0) return this.ms.getUnitCell (m); -var models = this.getVisibleFramesBitSet (); -var ucLast = null; -for (var i = models.nextSetBit (0); i >= 0; i = models.nextSetBit (i + 1)) { -var uc = this.ms.getUnitCell (i); -if (uc == null) continue; -if (ucLast == null) { -ucLast = uc; -continue; -}if (!ucLast.unitCellEquals (uc)) return null; -} -return ucLast; -}); Clazz.defineMethod (c$, "getDefaultMeasurementLabel", function (nPoints) { switch (nPoints) { @@ -2075,55 +2543,6 @@ var TF = this.axesAreTainted; this.axesAreTainted = false; return TF; }); -Clazz.defineMethod (c$, "setMaximumSize", - function (x) { -this.maximumSize = Math.max (x, 100); -}, "~N"); -Clazz.overrideMethod (c$, "setScreenDimension", -function (width, height) { -height = Math.min (height, this.maximumSize); -width = Math.min (width, this.maximumSize); -if (this.tm.stereoDoubleFull) width = Clazz.doubleToInt ((width + 1) / 2); -if (this.screenWidth == width && this.screenHeight == height) return; -this.resizeImage (width, height, false, false, true); -}, "~N,~N"); -Clazz.defineMethod (c$, "setStereo", -function (isStereoSlave, gRight) { -this.isStereoSlave = isStereoSlave; -this.gRight = gRight; -}, "~B,~O"); -Clazz.defineMethod (c$, "resizeImage", -function (width, height, isImageWrite, isExport, isReset) { -if (!isImageWrite && this.creatingImage) return; -var wasAntialiased = this.antialiased; -this.antialiased = (isReset ? this.g.antialiasDisplay && this.checkMotionRendering (603979786) : isImageWrite && !isExport ? this.g.antialiasImages : false); -if (!isExport && !isImageWrite && (width > 0 || wasAntialiased != this.antialiased)) this.setShapeProperty (5, "clearBoxes", null); -this.imageFontScaling = (this.antialiased ? 2 : 1) * (isReset || this.tm.scale3D || width <= 0 ? 1 : (this.g.zoomLarge == (height > width) ? height : width) * 1 / this.getScreenDim ()); -if (width > 0) { -this.screenWidth = width; -this.screenHeight = height; -if (!isImageWrite) { -this.g.setI ("_width", width); -this.g.setI ("_height", height); -}} else { -width = (this.screenWidth == 0 ? this.screenWidth = 500 : this.screenWidth); -height = (this.screenHeight == 0 ? this.screenHeight = 500 : this.screenHeight); -}this.tm.setScreenParameters (width, height, isImageWrite || isReset ? this.g.zoomLarge : false, this.antialiased, false, false); -this.gdata.setWindowParameters (width, height, this.antialiased); -if (width > 0 && !isImageWrite) this.setStatusResized (width, height); -}, "~N,~N,~B,~B,~B"); -Clazz.overrideMethod (c$, "getScreenWidth", -function () { -return this.screenWidth; -}); -Clazz.overrideMethod (c$, "getScreenHeight", -function () { -return this.screenHeight; -}); -Clazz.defineMethod (c$, "getScreenDim", -function () { -return (this.g.zoomLarge == (this.screenHeight > this.screenWidth) ? this.screenHeight : this.screenWidth); -}); Clazz.overrideMethod (c$, "generateOutputForExport", function (params) { return (this.noGraphicsAllowed || this.rm == null ? null : this.getOutputManager ().getOutputFromExport (params)); @@ -2132,154 +2551,46 @@ Clazz.defineMethod (c$, "clearRepaintManager", function (iShape) { if (this.rm != null) this.rm.clear (iShape); }, "~N"); -Clazz.defineMethod (c$, "renderScreenImageStereo", -function (gLeft, checkStereoSlave, width, height) { -if (this.updateWindow (width, height)) { -if (!checkStereoSlave || this.gRight == null) { -this.getScreenImageBuffer (gLeft, false); -} else { -this.drawImage (this.gRight, this.getImage (true, false), 0, 0, this.tm.stereoDoubleDTI); -this.drawImage (gLeft, this.getImage (false, false), 0, 0, this.tm.stereoDoubleDTI); -}}if (this.captureParams != null && Boolean.FALSE !== this.captureParams.get ("captureEnabled")) { -var t = (this.captureParams.get ("endTime")).longValue (); -if (t > 0 && System.currentTimeMillis () + 50 > t) this.captureParams.put ("captureMode", "end"); -this.processWriteOrCapture (this.captureParams); -}this.notifyViewerRepaintDone (); -}, "~O,~B,~N,~N"); -Clazz.defineMethod (c$, "updateJS", -function () { -if (JV.Viewer.isWebGL) { -if (this.jsParams == null) { -this.jsParams = new java.util.Hashtable (); -this.jsParams.put ("type", "JS"); -}if (this.updateWindow (0, 0)) this.render (); -this.notifyViewerRepaintDone (); -} else { -if (this.isStereoSlave) return; -this.renderScreenImageStereo (this.apiPlatform.getGraphics (null), true, 0, 0); -}}); -Clazz.defineMethod (c$, "updateJSView", - function (imodel, iatom) { -if (this.html5Applet == null) return; -var applet = this.html5Applet; -var doViewPick = true; -{ -doViewPick = (applet._viewSet != null); -}if (doViewPick) this.html5Applet._atomPickedCallback (imodel, iatom); -}, "~N,~N"); -Clazz.defineMethod (c$, "updateWindow", - function (width, height) { -if (!this.refreshing || this.creatingImage) return (this.refreshing ? false : !JV.Viewer.isJS); -if (this.isTainted || this.tm.slabEnabled) this.setModelVisibility (); -this.isTainted = false; -if (this.rm != null) { -if (width != 0) this.setScreenDimension (width, height); -}return true; -}, "~N,~N"); Clazz.defineMethod (c$, "renderScreenImage", function (g, width, height) { this.renderScreenImageStereo (g, false, width, height); }, "~O,~N,~N"); -Clazz.defineMethod (c$, "getImage", - function (isDouble, isImageWrite) { -var image = null; -try { -this.beginRendering (isDouble, isImageWrite); -this.render (); -this.gdata.endRendering (); -image = this.gdata.getScreenImage (isImageWrite); -} catch (e$$) { -if (Clazz.exceptionOf (e$$, Error)) { -var er = e$$; -{ -this.gdata.getScreenImage (isImageWrite); -this.handleError (er, false); -this.setErrorMessage ("Error during rendering: " + er, null); -} -} else if (Clazz.exceptionOf (e$$, Exception)) { -var e = e$$; -{ -System.out.println ("render error" + e); -if (!JV.Viewer.isJS) e.printStackTrace (); -} -} else { -throw e$$; -} -} -return image; -}, "~B,~B"); -Clazz.defineMethod (c$, "beginRendering", - function (isDouble, isImageWrite) { -this.gdata.beginRendering (this.tm.getStereoRotationMatrix (isDouble), this.g.translucent, isImageWrite, !this.checkMotionRendering (603979967)); -}, "~B,~B"); -Clazz.defineMethod (c$, "render", - function () { -if (this.mm.modelSet == null || !this.mustRender || !this.refreshing && !this.creatingImage || this.rm == null) return; -var antialias2 = this.antialiased && this.g.antialiasTranslucent; -var navMinMax = this.shm.finalizeAtoms (this.tm.bsSelectedAtoms, true); -if (JV.Viewer.isWebGL) { -this.rm.renderExport (this.gdata, this.ms, this.jsParams); -this.notifyViewerRepaintDone (); -return; -}this.rm.render (this.gdata, this.ms, true, navMinMax); -if (this.gdata.setPass2 (antialias2)) { -this.tm.setAntialias (antialias2); -this.rm.render (this.gdata, this.ms, false, null); -this.tm.setAntialias (this.antialiased); -}}); -Clazz.defineMethod (c$, "drawImage", - function (graphic, img, x, y, isDTI) { -if (graphic != null && img != null) { -this.apiPlatform.drawImage (graphic, img, x, y, this.screenWidth, this.screenHeight, isDTI); -}this.gdata.releaseScreenImage (); -}, "~O,~O,~N,~N,~B"); -Clazz.defineMethod (c$, "getScreenImage", -function () { -return this.getScreenImageBuffer (null, true); -}); -Clazz.overrideMethod (c$, "getScreenImageBuffer", -function (graphic, isImageWrite) { -if (JV.Viewer.isWebGL) return (isImageWrite ? this.apiPlatform.allocateRgbImage (0, 0, null, 0, false, true) : null); -var isDouble = this.tm.stereoDoubleFull || this.tm.stereoDoubleDTI; -var mergeImages = (graphic == null && isDouble); -var imageBuffer; -if (this.tm.stereoMode.isBiColor ()) { -this.beginRendering (true, isImageWrite); -this.render (); -this.gdata.endRendering (); -this.gdata.snapshotAnaglyphChannelBytes (); -this.beginRendering (false, isImageWrite); -this.render (); -this.gdata.endRendering (); -this.gdata.applyAnaglygh (this.tm.stereoMode, this.tm.stereoColors); -imageBuffer = this.gdata.getScreenImage (isImageWrite); -} else { -imageBuffer = this.getImage (isDouble, isImageWrite); -}var imageBuffer2 = null; -if (mergeImages) { -imageBuffer2 = this.apiPlatform.newBufferedImage (imageBuffer, (this.tm.stereoDoubleDTI ? this.screenWidth : this.screenWidth << 1), this.screenHeight); -graphic = this.apiPlatform.getGraphics (imageBuffer2); -}if (graphic != null) { -if (isDouble) { -if (this.tm.stereoMode === J.c.STER.DTI) { -this.drawImage (graphic, imageBuffer, this.screenWidth >> 1, 0, true); -imageBuffer = this.getImage (false, false); -this.drawImage (graphic, imageBuffer, 0, 0, true); -graphic = null; +Clazz.defineMethod (c$, "renderScreenImageStereo", +function (gLeft, checkStereoSlave, width, height) { +if (this.updateWindow (width, height)) { +if (!checkStereoSlave || this.gRight == null) { +this.getScreenImageBuffer (gLeft, false); } else { -this.drawImage (graphic, imageBuffer, this.screenWidth, 0, false); -imageBuffer = this.getImage (false, false); -}}if (graphic != null) this.drawImage (graphic, imageBuffer, 0, 0, false); -}return (mergeImages ? imageBuffer2 : imageBuffer); -}, "~O,~B"); -Clazz.overrideMethod (c$, "getImageAsBytes", -function (type, width, height, quality, errMsg) { -return this.getOutputManager ().getImageAsBytes (type, width, height, quality, errMsg); -}, "~S,~N,~N,~N,~A"); -Clazz.overrideMethod (c$, "releaseScreenImage", +this.drawImage (this.gRight, this.getImage (true, false), 0, 0, this.tm.stereoDoubleDTI); +this.drawImage (gLeft, this.getImage (false, false), 0, 0, this.tm.stereoDoubleDTI); +}}if (this.captureParams != null && Boolean.FALSE !== this.captureParams.get ("captureEnabled")) { +this.captureParams.remove ("imagePixels"); +var t = (this.captureParams.get ("endTime")).longValue (); +if (t > 0 && System.currentTimeMillis () + 50 > t) this.captureParams.put ("captureMode", "end"); +this.processWriteOrCapture (this.captureParams); +}this.notifyViewerRepaintDone (); +}, "~O,~B,~N,~N"); +Clazz.defineMethod (c$, "updateJS", function () { -this.gdata.releaseScreenImage (); -}); +if (JV.Viewer.isWebGL) { +if (this.jsParams == null) { +this.jsParams = new java.util.Hashtable (); +this.jsParams.put ("type", "JS"); +}if (this.updateWindow (0, 0)) this.render (); +this.notifyViewerRepaintDone (); +} else { +if (this.isStereoSlave) return; +this.renderScreenImageStereo (this.apiPlatform.getGraphics (null), true, 0, 0); +}}); +Clazz.defineMethod (c$, "updateJSView", + function (imodel, iatom) { +if (this.html5Applet == null) return; +var applet = this.html5Applet; +var doViewPick = true; +{ +doViewPick = (applet != null && applet._viewSet != null); +}if (doViewPick) this.html5Applet._atomPickedCallback (imodel, iatom); +}, "~N,~N"); Clazz.overrideMethod (c$, "evalFile", function (strFilename) { return (this.allowScripting && this.getScriptManager () != null ? this.scm.evalFile (strFilename) : null); @@ -2337,15 +2648,6 @@ var ret = this.evalStringWaitStatusQueued (returnType, strScript, statusList, fa J.i18n.GT.setDoTranslate (doTranslateTemp); return ret; }, "~S,~S,~S"); -Clazz.defineMethod (c$, "evalStringWaitStatusQueued", -function (returnType, strScript, statusList, isQuiet, isQueued) { -{ -if (strScript.indexOf("JSCONSOLE") == 0) { -this.html5Applet._showInfo(strScript.indexOf("CLOSE")<0); if -(strScript.indexOf("CLEAR") >= 0) -this.html5Applet._clearConsole(); return null; } -}return (this.getScriptManager () == null ? null : this.scm.evalStringWaitStatusQueued (returnType, strScript, statusList, isQuiet, isQueued)); -}, "~S,~S,~S,~B,~B"); Clazz.defineMethod (c$, "exitJmol", function () { if (this.isApplet && !this.isJNLP) return; @@ -2368,7 +2670,7 @@ return (this.getScriptManager () == null ? null : this.scm.scriptCheckRet (strSc }, "~S,~B"); Clazz.overrideMethod (c$, "scriptCheck", function (strScript) { -return (this.getScriptManager () == null ? null : this.scriptCheckRet (strScript, false)); +return this.scriptCheckRet (strScript, false); }, "~S"); Clazz.overrideMethod (c$, "isScriptExecuting", function () { @@ -2388,8 +2690,7 @@ if (this.eval != null) this.eval.pauseExecution (true); }); Clazz.defineMethod (c$, "resolveDatabaseFormat", function (fileName) { -if (JV.Viewer.hasDatabasePrefix (fileName)) fileName = this.setLoadFormat (fileName, fileName.charAt (0), false); -return fileName; +return (JV.Viewer.hasDatabasePrefix (fileName) || fileName.indexOf ("cactus.nci.nih.gov/chemical/structure") >= 0 ? this.setLoadFormat (fileName, fileName.charAt (0), false) : fileName); }, "~S"); c$.hasDatabasePrefix = Clazz.defineMethod (c$, "hasDatabasePrefix", function (fileName) { @@ -2404,6 +2705,11 @@ function (name, type, withPrefix) { var format = null; var id = name.substring (1); switch (type) { +case 'c': +return name; +case 'h': +this.checkCIR (false); +return this.g.nihResolverFormat + name.substring (name.indexOf ("/structure") + 10); case '=': if (name.startsWith ("==")) { id = id.substring (1); @@ -2493,11 +2799,20 @@ if (fl.startsWith ("name:")) id = id.substring (5); id = "name/" + JU.PT.escapeUrl (id); }}return JU.PT.formatStringS (format, "FILE", id); case '$': -if (name.startsWith ("$$")) { +this.checkCIR (false); +if (name.equals ("$")) { +try { +id = this.getOpenSmiles (this.bsA ()); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +} else { +throw e; +} +} +} else if (name.startsWith ("$$")) { id = id.substring (1); -format = JU.PT.rep (this.g.smilesUrlFormat, "&get3d=True", ""); -return JU.PT.formatStringS (format, "FILE", JU.PT.escapeUrl (id)); -}if (name.equals ("$")) try { +if (id.length == 0) { +try { id = this.getOpenSmiles (this.bsA ()); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { @@ -2505,7 +2820,9 @@ if (Clazz.exceptionOf (e, Exception)) { throw e; } } -case 'M': +}format = JU.PT.rep (this.g.smilesUrlFormat, "get3d=true", "get3d=false"); +return JU.PT.formatStringS (format, "FILE", JU.PT.escapeUrl (id)); +}case 'M': case 'N': case '2': case 'I': @@ -2517,29 +2834,30 @@ id = JU.PT.escapeUrl (id); switch (type) { case 'M': case 'N': -format = this.g.nihResolverFormat + "/names"; +format = this.g.nihResolverFormat + "/%FILE/names"; break; case '2': -format = this.g.nihResolverFormat + "/image"; +format = this.g.nihResolverFormat + "/%FILE/image"; break; case 'I': case 'T': -format = this.g.nihResolverFormat + "/stdinchi"; +format = this.g.nihResolverFormat + "/%FILE/stdinchi"; break; case 'K': -format = this.g.nihResolverFormat + "/inchikey"; +format = this.g.nihResolverFormat + "/%FILE/inchikey"; break; case 'S': -format = this.g.nihResolverFormat + "/stdinchikey"; +format = this.g.nihResolverFormat + "/%FILE/stdinchikey"; break; case '/': -format = this.g.nihResolverFormat + "/"; +format = this.g.nihResolverFormat + "/%FILE/"; break; default: format = this.g.smilesUrlFormat; break; } return (withPrefix ? "MOL3D::" : "") + JU.PT.formatStringS (format, "FILE", id); +case '?': case '-': case '_': var isDiff = id.startsWith ("*") || id.startsWith ("="); @@ -2549,6 +2867,43 @@ pt = id.indexOf ("."); if (pt >= 0) { ciftype = id.substring (pt + 1); id = id.substring (0, pt); +}var checkXray = id.startsWith ("density"); +if (checkXray) id = "em" + id.substring (7); +if (id.equals ("emdb") || id.equals ("em")) id += "/"; +if (id.startsWith ("em/")) id = "emdb" + id.substring (2); +if (id.startsWith ("emdb/")) { +id = id.substring (5); +if (id.length == 0) id = "="; + else if (id.startsWith ("*")) id = "=" + id.substring (1); +var emdext = "#-sigma=10"; +if (id.startsWith ("=")) { +id = (id.equals ("=") ? this.getPdbID () : id.substring (1)); +if (id == null || type == '?') return id; +var q = JV.JC.resolveDataBase ("emdbquery", id, null); +var data = this.fm.cacheGet (q, false); +if (data == null) { +this.showString ("retrieving " + q, false); +data = this.getFileAsString (q); +if (data == null) { +this.showString ("EM retrieve failed for " + id, false); +if (!checkXray) return null; +data = "FAILED"; +} else { +this.showString (data, false); +}this.fm.cachePut (q, data); +}pt = data.indexOf ("EMD-"); +if (pt >= 0) { +id = data.substring (pt + 4); +pt = id.indexOf ('\n'); +if (pt > 0) id = id.substring (0, pt); +pt = id.indexOf (","); +if (pt > 0) { +emdext = "#-cutoff=" + id.substring (pt + 1); +id = id.substring (0, pt); +}} else { +if (!checkXray) return null; +emdext = null; +}}if (emdext != null) return JV.JC.resolveDataBase ("emdbmap" + (type == '-' ? "server" : ""), id, null) + emdext; }id = JV.JC.resolveDataBase ((isDiff ? "pdbemapdiff" : "pdbemap") + (type == '-' ? "server" : ""), id, null); if ("cif".equals (ciftype)) { id = id.$replace ("bcif", "cif"); @@ -2556,6 +2911,25 @@ id = id.$replace ("bcif", "cif"); } return id; }, "~S,~S,~B"); +Clazz.defineMethod (c$, "checkCIR", + function (forceCheck) { +if (this.cirChecked && !forceCheck) return; +try { +this.g.removeParam ("_cirStatus"); +var m = this.getModelSetAuxiliaryInfo (); +m.remove ("cirInfo"); +var map = this.parseJSONMap (this.getFileAsString (this.g.resolverResolver)); +m.put ("cirInfo", map); +this.ms.msInfo = m; +var s = map.get ("status"); +this.g.setO ("_cirStatus", s); +this.g.setCIR (map.get ("rfc6570Template")); +System.out.println ("Viewer.checkCIR _.cirInfo.status = " + s); +} catch (t) { +System.out.println ("Viewer.checkCIR failed at " + this.g.resolverResolver + ": " + t); +} +this.cirChecked = true; +}, "~B"); Clazz.defineMethod (c$, "getStandardLabelFormat", function (type) { switch (type) { @@ -2569,16 +2943,16 @@ return this.g.defaultLabelPDB; } }, "~N"); Clazz.defineMethod (c$, "getAdditionalHydrogens", -function (bsAtoms, doAll, justCarbon, vConnections) { +function (bsAtoms, vConnections, flags) { if (bsAtoms == null) bsAtoms = this.bsA (); var nTotal = Clazz.newIntArray (1, 0); -var pts = this.ms.calculateHydrogens (bsAtoms, nTotal, doAll, justCarbon, vConnections); +var pts = this.ms.calculateHydrogens (bsAtoms, nTotal, vConnections, flags); var points = new Array (nTotal[0]); for (var i = 0, pt = 0; i < pts.length; i++) if (pts[i] != null) for (var j = 0; j < pts[i].length; j++) points[pt++] = pts[i][j]; return points; -}, "JU.BS,~B,~B,JU.Lst"); +}, "JU.BS,JU.Lst,~N"); Clazz.overrideMethod (c$, "setMarBond", function (marBond) { this.g.bondRadiusMilliAngstroms = marBond; @@ -2720,225 +3094,30 @@ return (atomOrPointIndex >= 0 ? this.ms.getAtomInfo (atomOrPointIndex, null, thi Clazz.defineMethod (c$, "getAtomInfoXYZ", function (atomIndex, useChimeFormat) { var atom = this.ms.at[atomIndex]; -if (useChimeFormat) return this.getChimeMessenger ().getInfoXYZ (atom); -if (this.ptTemp == null) this.ptTemp = new JU.P3 (); -return atom.getIdentityXYZ (true, this.ptTemp); -}, "~N,~B"); -Clazz.defineMethod (c$, "setSync", - function () { -if (this.sm.doSync ()) this.sm.setSync (null); -}); -Clazz.overrideMethod (c$, "setJmolCallbackListener", -function (listener) { -this.sm.cbl = listener; -}, "J.api.JmolCallbackListener"); -Clazz.overrideMethod (c$, "setJmolStatusListener", -function (listener) { -this.sm.cbl = this.sm.jsl = listener; -}, "J.api.JmolStatusListener"); -Clazz.defineMethod (c$, "getStatusChanged", -function (statusNameList) { -return (statusNameList == null ? null : this.sm.getStatusChanged (statusNameList)); -}, "~S"); -Clazz.defineMethod (c$, "menuEnabled", -function () { -return (!this.g.disablePopupMenu && this.getPopupMenu () != null); -}); -Clazz.defineMethod (c$, "popupMenu", -function (x, y, type) { -if (!this.haveDisplay || !this.refreshing || this.isPreviewOnly || this.g.disablePopupMenu) return; -switch (type) { -case 'j': -try { -this.getPopupMenu (); -this.jmolpopup.jpiShow (x, y); -} catch (e) { -JU.Logger.info (e.toString ()); -this.g.disablePopupMenu = true; -} -break; -case 'a': -case 'b': -case 'm': -if (this.getModelkit (false) == null) { -return; -}this.modelkit.jpiShow (x, y); -break; -} -}, "~N,~N,~S"); -Clazz.defineMethod (c$, "setRotateBondIndex", -function (i) { -if (this.modelkit != null) this.modelkit.setProperty ("rotateBondIndex", Integer.$valueOf (i)); -}, "~N"); -Clazz.defineMethod (c$, "getMenu", -function (type) { -this.getPopupMenu (); -if (type.equals ("\0")) { -this.popupMenu (this.screenWidth - 120, 0, 'j'); -return "OK"; -}return (this.jmolpopup == null ? "" : this.jmolpopup.jpiGetMenuAsString ("Jmol version " + JV.Viewer.getJmolVersion () + "|_GET_MENU|" + type)); -}, "~S"); -Clazz.defineMethod (c$, "getPopupMenu", - function () { -if (this.g.disablePopupMenu) return null; -if (this.jmolpopup == null) { -this.jmolpopup = (this.allowScripting ? this.apiPlatform.getMenuPopup (this.menuStructure, 'j') : null); -if (this.jmolpopup == null && !this.async) { -this.g.disablePopupMenu = true; -return null; -}}return this.jmolpopup.jpiGetMenuAsObject (); -}); -Clazz.overrideMethod (c$, "setMenu", -function (fileOrText, isFile) { -if (isFile) JU.Logger.info ("Setting menu " + (fileOrText.length == 0 ? "to Jmol defaults" : "from file " + fileOrText)); -if (fileOrText.length == 0) fileOrText = null; - else if (isFile) fileOrText = this.getFileAsString3 (fileOrText, false, null); -this.getProperty ("DATA_API", "setMenu", fileOrText); -this.sm.setCallbackFunction ("menu", fileOrText); -}, "~S,~B"); -Clazz.defineMethod (c$, "setStatusFrameChanged", -function (isVib, doNotify) { -if (isVib) { -this.prevFrame = -2147483648; -}this.tm.setVibrationPeriod (NaN); -var firstIndex = this.am.firstFrameIndex; -var lastIndex = this.am.lastFrameIndex; -var isMovie = this.am.isMovie; -var modelIndex = this.am.cmi; -if (firstIndex == lastIndex && !isMovie) modelIndex = firstIndex; -var frameID = this.getModelFileNumber (modelIndex); -var currentFrame = this.am.cmi; -var fileNo = frameID; -var modelNo = frameID % 1000000; -var firstNo = (isMovie ? firstIndex : this.getModelFileNumber (firstIndex)); -var lastNo = (isMovie ? lastIndex : this.getModelFileNumber (lastIndex)); -var strModelNo; -if (isMovie) { -strModelNo = "" + (currentFrame + 1); -} else if (fileNo == 0) { -strModelNo = this.getModelNumberDotted (firstIndex); -if (firstIndex != lastIndex) strModelNo += " - " + this.getModelNumberDotted (lastIndex); -if (Clazz.doubleToInt (firstNo / 1000000) == Clazz.doubleToInt (lastNo / 1000000)) fileNo = firstNo; -} else { -strModelNo = this.getModelNumberDotted (modelIndex); -}if (fileNo != 0) fileNo = (fileNo < 1000000 ? 1 : Clazz.doubleToInt (fileNo / 1000000)); -if (!isMovie) { -this.g.setI ("_currentFileNumber", fileNo); -this.g.setI ("_currentModelNumberInFile", modelNo); -}var currentMorphModel = this.am.currentMorphModel; -this.g.setI ("_currentFrame", currentFrame); -this.g.setI ("_morphCount", this.am.morphCount); -this.g.setF ("_currentMorphFrame", currentMorphModel); -this.g.setI ("_frameID", frameID); -this.g.setI ("_modelIndex", modelIndex); -this.g.setO ("_modelNumber", strModelNo); -this.g.setO ("_modelName", (modelIndex < 0 ? "" : this.getModelName (modelIndex))); -var title = (modelIndex < 0 ? "" : this.ms.getModelTitle (modelIndex)); -this.g.setO ("_modelTitle", title == null ? "" : title); -this.g.setO ("_modelFile", (modelIndex < 0 ? "" : this.ms.getModelFileName (modelIndex))); -this.g.setO ("_modelType", (modelIndex < 0 ? "" : this.ms.getModelFileType (modelIndex))); -if (currentFrame == this.prevFrame && currentMorphModel == this.prevMorphModel) return; -this.prevFrame = currentFrame; -this.prevMorphModel = currentMorphModel; -var entryName = this.getModelName (currentFrame); -if (isMovie) { -entryName = "" + (entryName === "" ? currentFrame + 1 : this.am.caf + 1) + ": " + entryName; -} else { -var script = "" + this.getModelNumberDotted (currentFrame); -if (!entryName.equals (script)) entryName = script + ": " + entryName; -}this.sm.setStatusFrameChanged (fileNo, modelNo, (this.am.animationDirection < 0 ? -firstNo : firstNo), (this.am.currentDirection < 0 ? -lastNo : lastNo), currentFrame, currentMorphModel, entryName); -if (this.doHaveJDX ()) this.getJSV ().setModel (modelIndex); -if (JV.Viewer.isJS) this.updateJSView (modelIndex, -1); -}, "~B,~B"); -Clazz.defineMethod (c$, "doHaveJDX", - function () { -return (this.haveJDX || (this.haveJDX = this.getBooleanProperty ("_JSpecView".toLowerCase ()))); -}); -Clazz.defineMethod (c$, "getJSV", -function () { -if (this.jsv == null) { -this.jsv = J.api.Interface.getOption ("jsv.JSpecView", this, "script"); -this.jsv.setViewer (this); -}return this.jsv; -}); -Clazz.defineMethod (c$, "getJDXBaseModelIndex", -function (modelIndex) { -if (!this.doHaveJDX ()) return modelIndex; -return this.getJSV ().getBaseModelIndex (modelIndex); -}, "~N"); -Clazz.defineMethod (c$, "getJspecViewProperties", -function (myParam) { -var o = this.sm.getJspecViewProperties ("" + myParam); -if (o != null) this.haveJDX = true; -return o; -}, "~O"); -Clazz.defineMethod (c$, "scriptEcho", -function (strEcho) { -if (!JU.Logger.isActiveLevel (4)) return; -{ -System.out.println(strEcho); -}this.sm.setScriptEcho (strEcho, this.isScriptQueued ()); -if (this.listCommands && strEcho != null && strEcho.indexOf ("$[") == 0) JU.Logger.info (strEcho); -}, "~S"); -Clazz.defineMethod (c$, "isScriptQueued", - function () { -return this.scm != null && this.scm.isScriptQueued (); -}); -Clazz.defineMethod (c$, "notifyError", -function (errType, errMsg, errMsgUntranslated) { -this.g.setO ("_errormessage", errMsgUntranslated); -this.sm.notifyError (errType, errMsg, errMsgUntranslated); -}, "~S,~S,~S"); -Clazz.defineMethod (c$, "jsEval", -function (strEval) { -return "" + this.sm.jsEval (strEval); -}, "~S"); -Clazz.defineMethod (c$, "jsEvalSV", -function (strEval) { -return JS.SV.getVariable (JV.Viewer.isJS ? this.sm.jsEval (strEval) : this.jsEval (strEval)); -}, "~S"); -Clazz.defineMethod (c$, "setFileLoadStatus", - function (ptLoad, fullPathName, fileName, modelName, strError, isAsync) { -this.setErrorMessage (strError, null); -this.g.setI ("_loadPoint", ptLoad.getCode ()); -var doCallback = (ptLoad !== J.c.FIL.CREATING_MODELSET); -if (doCallback) this.setStatusFrameChanged (false, false); -this.sm.setFileLoadStatus (fullPathName, fileName, modelName, strError, ptLoad.getCode (), doCallback, isAsync); -if (doCallback) { -if (this.doHaveJDX ()) this.getJSV ().setModel (this.am.cmi); -if (JV.Viewer.isJS) this.updateJSView (this.am.cmi, -2); -}}, "J.c.FIL,~S,~S,~S,~S,Boolean"); -Clazz.defineMethod (c$, "getZapName", -function () { -return (this.g.modelKitMode ? "Jmol Model Kit" : "zapped"); +if (useChimeFormat) return this.getChimeMessenger ().getInfoXYZ (atom); +if (this.ptTemp == null) this.ptTemp = new JU.P3 (); +return atom.getIdentityXYZ (true, this.ptTemp); +}, "~N,~B"); +Clazz.defineMethod (c$, "setSync", + function () { +if (this.sm.doSync ()) this.sm.setSync (null); }); -Clazz.defineMethod (c$, "setStatusMeasuring", -function (status, intInfo, strMeasure, value) { -this.sm.setStatusMeasuring (status, intInfo, strMeasure, value); -}, "~S,~N,~S,~N"); -Clazz.defineMethod (c$, "notifyMinimizationStatus", +Clazz.overrideMethod (c$, "setJmolCallbackListener", +function (listener) { +this.sm.cbl = listener; +}, "J.api.JmolCallbackListener"); +Clazz.overrideMethod (c$, "setJmolStatusListener", +function (listener) { +this.sm.cbl = this.sm.jsl = listener; +}, "J.api.JmolStatusListener"); +Clazz.defineMethod (c$, "getStatusChanged", +function (statusNameList) { +return (statusNameList == null ? null : this.sm.getStatusChanged (statusNameList)); +}, "~S"); +Clazz.defineMethod (c$, "menuEnabled", function () { -var step = this.getP ("_minimizationStep"); -var ff = this.getP ("_minimizationForceField"); -this.sm.notifyMinimizationStatus (this.getP ("_minimizationStatus"), Clazz.instanceOf (step, String) ? Integer.$valueOf (0) : step, this.getP ("_minimizationEnergy"), (step.toString ().equals ("0") ? Float.$valueOf (0) : this.getP ("_minimizationEnergyDiff")), ff); +return (!this.g.disablePopupMenu && this.getPopupMenu () != null); }); -Clazz.defineMethod (c$, "setStatusAtomPicked", -function (atomIndex, info, map, andSelect) { -if (andSelect) this.setSelectionSet (JU.BSUtil.newAndSetBit (atomIndex)); -if (info == null) { -info = this.g.pickLabel; -info = (info.length == 0 ? this.getAtomInfoXYZ (atomIndex, this.g.messageStyleChime) : this.ms.getAtomInfo (atomIndex, info, this.ptTemp)); -}this.setPicked (atomIndex, false); -if (atomIndex < 0) { -var m = this.getPendingMeasurement (); -if (m != null) info = info.substring (0, info.length - 1) + ",\"" + m.getString () + "\"]"; -}this.g.setO ("_pickinfo", info); -this.sm.setStatusAtomPicked (atomIndex, info, map); -if (atomIndex < 0) return; -var syncMode = this.sm.getSyncMode (); -if (syncMode == 1 && this.doHaveJDX ()) this.getJSV ().atomPicked (atomIndex); -if (JV.Viewer.isJS) this.updateJSView (this.ms.at[atomIndex].mi, atomIndex); -}, "~N,~S,java.util.Map,~B"); Clazz.defineMethod (c$, "setStatusDragDropped", function (mode, x, y, fileName) { if (mode == 0) { @@ -3047,8 +3226,6 @@ return false; Clazz.overrideMethod (c$, "getInt", function (tok) { switch (tok) { -case 553648147: -return this.g.infoFontSize; case 553648132: return this.am.animationFps; case 553648141: @@ -3057,6 +3234,8 @@ case 553648142: return this.g.dotScale; case 553648144: return this.g.helixStep; +case 553648147: +return this.g.infoFontSize; case 553648150: return this.g.meshScale; case 553648153: @@ -3128,17 +3307,19 @@ case 603979811: return this.g.cartoonSteps; case 603979810: return this.g.cartoonBlocks; +case 603979821: +return this.g.checkCIR; case 603979812: return this.g.bondModeOr; -case 603979816: +case 603979815: return this.g.cartoonBaseEdges; -case 603979817: +case 603979816: return this.g.cartoonFancy; -case 603979818: +case 603979817: return this.g.cartoonLadders; -case 603979819: +case 603979818: return this.g.cartoonRibose; -case 603979820: +case 603979819: return this.g.cartoonRockets; case 603979822: return this.g.chainCaseSensitive || this.chainCaseSpecified; @@ -3246,8 +3427,8 @@ case 603979940: return this.g.slabByMolecule; case 603979944: return this.g.smartAromatic; -case 1612709912: -return this.g.solventOn; +case 603979948: +return this.g.dotSolvent; case 603979952: return this.g.ssbondsBackbone; case 603979955: @@ -3305,20 +3486,22 @@ case 570425346: return this.g.axesScale; case 570425348: return this.g.bondTolerance; -case 570425354: +case 570425353: return this.g.defaultTranslucent; case 570425352: return this.g.defaultDrawArrowScale; -case 570425355: +case 570425354: return this.g.dipoleScale; -case 570425356: +case 570425355: return this.g.drawFontSize; -case 570425358: +case 570425357: return this.g.exportScale; -case 570425360: +case 570425359: return this.g.hbondsAngleMinimum; case 570425361: -return this.g.hbondsDistanceMaximum; +return this.g.hbondHXDistanceMaximum; +case 570425360: +return this.g.hbondNODistanceMaximum; case 570425363: return this.g.loadAtomDataTolerance; case 570425364: @@ -3404,7 +3587,7 @@ case 545259558: this.setUnits (value, false); return; case 545259560: -this.g.forceField = value = ("UFF".equalsIgnoreCase (value) ? "UFF" : "MMFF"); +this.g.forceField = value = ("UFF".equalsIgnoreCase (value) ? "UFF" : "UFF2D".equalsIgnoreCase (value) ? "UFF2D" : "MMFF2D".equalsIgnoreCase (value) ? "MMFF2D" : "MMFF"); this.minimizer = null; break; case 545259571: @@ -3571,10 +3754,10 @@ break; case 570425381: this.g.particleRadius = Math.abs (value); break; -case 570425356: +case 570425355: this.g.drawFontSize = value; break; -case 570425358: +case 570425357: this.g.exportScale = value; break; case 570425403: @@ -3592,7 +3775,7 @@ break; case 570425365: this.g.minimizationCriterion = value; break; -case 570425359: +case 570425358: if (this.haveDisplay) this.acm.setGestureSwipeFactor (value); break; case 570425367: @@ -3623,11 +3806,14 @@ break; case 570425363: this.g.loadAtomDataTolerance = value; break; -case 570425360: +case 570425359: this.g.hbondsAngleMinimum = value; break; case 570425361: -this.g.hbondsDistanceMaximum = value; +this.g.hbondHXDistanceMaximum = value; +break; +case 570425360: +this.g.hbondNODistanceMaximum = value; break; case 570425382: this.g.pointGroupDistanceTolerance = value; @@ -3635,7 +3821,7 @@ break; case 570425384: this.g.pointGroupLinearTolerance = value; break; -case 570425357: +case 570425356: this.g.ellipsoidAxisDiameter = value; break; case 570425398: @@ -3653,7 +3839,7 @@ break; case 570425352: this.g.defaultDrawArrowScale = value; break; -case 570425354: +case 570425353: this.g.defaultTranslucent = value; break; case 570425345: @@ -3688,7 +3874,7 @@ break; case 570425392: this.g.sheetSmoothing = value; break; -case 570425355: +case 570425354: value = JV.Viewer.checkFloatRange (value, -10, 10); this.g.dipoleScale = value; break; @@ -3939,6 +4125,11 @@ Clazz.defineMethod (c$, "setBooleanPropertyTok", function (key, tok, value) { var doRepaint = true; switch (tok) { +case 603979821: +this.g.checkCIR = value; +if (value) { +this.checkCIR (true); +}break; case 603979823: this.g.cipRule6Full = value; break; @@ -3985,7 +4176,7 @@ break; case 603979811: this.g.cartoonSteps = value; break; -case 603979819: +case 603979818: this.g.cartoonRibose = value; break; case 603979837: @@ -3994,7 +4185,7 @@ break; case 603979967: this.g.translucent = value; break; -case 603979818: +case 603979817: this.g.cartoonLadders = value; break; case 603979968: @@ -4002,10 +4193,10 @@ var b = this.g.twistedSheets; this.g.twistedSheets = value; if (b != value) this.checkCoordinatesChanged (); break; -case 603979821: +case 603979820: this.gdata.setCel (value); break; -case 603979817: +case 603979816: this.g.cartoonFancy = value; break; case 603979934: @@ -4194,10 +4385,10 @@ this.setFrankOn (value); break; case 1612709912: key = "solventProbe"; -this.g.solventOn = value; +this.g.dotSolvent = value; break; case 603979948: -this.g.solventOn = value; +this.g.dotSolvent = value; break; case 603979785: this.g.allowRotateSelected = value; @@ -4325,10 +4516,10 @@ break; case 603979901: this.g.ribbonBorder = value; break; -case 603979816: +case 603979815: this.g.cartoonBaseEdges = value; break; -case 603979820: +case 603979819: this.g.cartoonRockets = value; break; case 603979902: @@ -4428,22 +4619,29 @@ this.setPickingMode (null, value ? 33 : 1); this.setPickingMode (null, value ? 32 : 1); }var isChange = (this.g.modelKitMode != value); this.g.modelKitMode = value; +this.g.setB ("modelkitmode", value); this.highlight (null); if (value) { +var kit = this.getModelkit (false); this.setNavigationMode (false); this.selectAll (); -this.getModelkit (false).setProperty ("atomType", "C"); -this.getModelkit (false).setProperty ("bondType", "p"); -if (!this.isApplet) this.popupMenu (0, 0, 'm'); -if (isChange) this.sm.setCallbackFunction ("modelkit", "ON"); +kit.setProperty ("atomType", "C"); +kit.setProperty ("bondType", "p"); +if (!this.isApplet) this.popupMenu (10, 0, 'm'); +if (isChange) this.sm.setStatusModelKit (1); this.g.modelKitMode = true; if (this.ms.ac == 0) this.zap (false, true, true); -} else { + else if (this.am.cmi >= 0 && this.getModelUndeletedAtomsBitSet (this.am.cmi).isEmpty ()) { +var htParams = new java.util.Hashtable (); +htParams.put ("appendToModelIndex", Integer.$valueOf (this.am.cmi)); +this.loadDefaultModelKitModel (htParams); +}} else { this.acm.setPickingMode (-1); this.setStringProperty ("pickingStyle", "toggle"); this.setBooleanProperty ("bondPicking", false); -if (isChange) this.sm.setCallbackFunction ("modelkit", "OFF"); -}}, "~B"); +if (isChange) { +this.sm.setStatusModelKit (0); +}}}, "~B"); Clazz.defineMethod (c$, "setSmilesString", function (s) { if (s == null) this.g.removeParam ("_smilesString"); @@ -4490,10 +4688,6 @@ function () { if (!this.g.navigationMode) return false; return (this.tm.isNavigating () && !this.g.hideNavigationPoint || this.g.showNavigationPointAlways || this.getInMotion (true)); }); -Clazz.defineMethod (c$, "getCurrentSolventProbeRadius", -function () { -return this.g.solventOn ? this.g.solventProbeRadius : 0; -}); Clazz.overrideMethod (c$, "setPerspectiveDepth", function (perspectiveDepth) { this.tm.setPerspectiveDepth (perspectiveDepth); @@ -4764,61 +4958,6 @@ Clazz.defineMethod (c$, "getModelFileInfoAll", function () { return this.getPropertyManager ().getModelFileInfo (null); }); -Clazz.overrideMethod (c$, "getProperty", -function (returnType, infoType, paramInfo) { -if (!"DATA_API".equals (returnType)) return this.getPropertyManager ().getProperty (returnType, infoType, paramInfo); -switch (("scriptCheck.........consoleText.........scriptEditor........scriptEditorState...getAppConsole.......getScriptEditor.....setMenu.............spaceGroupInfo......disablePopupMenu....defaultDirectory....getPopupMenu........shapeManager........getPreference.......").indexOf (infoType)) { -case 0: -return this.scriptCheckRet (paramInfo, true); -case 20: -return (this.appConsole == null ? "" : this.appConsole.getText ()); -case 40: -this.showEditor (paramInfo); -return null; -case 60: -this.scriptEditorVisible = (paramInfo).booleanValue (); -return null; -case 80: -if (this.$isKiosk) { -this.appConsole = null; -} else if (Clazz.instanceOf (paramInfo, J.api.JmolAppConsoleInterface)) { -this.appConsole = paramInfo; -} else if (paramInfo != null && !(paramInfo).booleanValue ()) { -this.appConsole = null; -} else if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { -if (JV.Viewer.isJS) { -this.appConsole = J.api.Interface.getOption ("consolejs.AppletConsole", this, "script"); -}{ -}if (this.appConsole != null) this.appConsole.start (this); -}this.scriptEditor = (JV.Viewer.isJS || this.appConsole == null ? null : this.appConsole.getScriptEditor ()); -return this.appConsole; -case 100: -if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { -this.getProperty ("DATA_API", "getAppConsole", Boolean.TRUE); -this.scriptEditor = (this.appConsole == null ? null : this.appConsole.getScriptEditor ()); -}return this.scriptEditor; -case 120: -if (this.jmolpopup != null) this.jmolpopup.jpiDispose (); -this.jmolpopup = null; -return this.menuStructure = paramInfo; -case 140: -return this.getSymTemp ().getSpaceGroupInfo (this.ms, null, -1, false, null); -case 160: -this.g.disablePopupMenu = true; -return null; -case 180: -return this.g.defaultDirectory; -case 200: -if (Clazz.instanceOf (paramInfo, String)) return this.getMenu (paramInfo); -return this.getPopupMenu (); -case 220: -return this.shm.getProperty (paramInfo); -case 240: -return this.sm.syncSend ("getPreference", paramInfo, 1); -} -JU.Logger.error ("ERROR in getProperty DATA_API: " + infoType); -return null; -}, "~S,~S,~O"); Clazz.defineMethod (c$, "showEditor", function (file_text) { var scriptEditor = this.getProperty ("DATA_API", "getScriptEditor", Boolean.TRUE); @@ -4834,17 +4973,6 @@ Clazz.defineMethod (c$, "setTainted", function (TF) { this.isTainted = this.axesAreTainted = (TF && (this.refreshing || this.creatingImage)); }, "~B"); -Clazz.defineMethod (c$, "notifyMouseClicked", -function (x, y, action, mode) { -var modifiers = JV.binding.Binding.getButtonMods (action); -var clickCount = JV.binding.Binding.getClickCount (action); -this.g.setI ("_mouseX", x); -this.g.setI ("_mouseY", this.screenHeight - y); -this.g.setI ("_mouseAction", action); -this.g.setI ("_mouseModifiers", modifiers); -this.g.setI ("_clickCount", clickCount); -return this.sm.setStatusClicked (x, this.screenHeight - y, action, clickCount, mode); -}, "~N,~N,~N,~N"); Clazz.defineMethod (c$, "checkObjectClicked", function (x, y, modifiers) { return this.shm.checkObjectClicked (x, y, modifiers, this.getVisibleFramesBitSet (), this.g.drawPicking); @@ -5193,8 +5321,7 @@ var pt = molFile.indexOf ("\n"); if (pt < 0) return null; molFile = "Jmol " + JV.Viewer.version_date + molFile.substring (pt); if (this.isApplet) { -{ -}this.showUrl (this.g.nmrUrlFormat + molFile); +this.showUrl (this.g.nmrUrlFormat + molFile); return "opening " + this.g.nmrUrlFormat; }}this.syncScript ("true", "*", 0); this.syncScript (type + "Simulate:", ".", 0); @@ -5331,11 +5458,6 @@ Clazz.overrideMethod (c$, "outputToFile", function (params) { return this.getOutputManager ().outputToFile (params); }, "java.util.Map"); -Clazz.defineMethod (c$, "getOutputManager", - function () { -if (this.outputManager != null) return this.outputManager; -return (this.outputManager = J.api.Interface.getInterface ("JV.OutputManager" + (JV.Viewer.isJS ? "JS" : "Awt"), this, "file")).setViewer (this, this.privateKey); -}); Clazz.defineMethod (c$, "setSyncTarget", function (mode, TF) { switch (mode) { @@ -5439,25 +5561,32 @@ function (bsAtoms, fullModels) { var atomIndex = (bsAtoms == null ? -1 : bsAtoms.nextSetBit (0)); if (atomIndex < 0) return 0; this.clearModelDependentObjects (); +var a = this.ms.at[atomIndex]; +if (a == null) return 0; +var mi = a.mi; if (!fullModels) { -this.sm.modifySend (atomIndex, this.ms.at[atomIndex].mi, 4, "deleting atom " + this.ms.at[atomIndex].getAtomName ()); +this.sm.modifySend (atomIndex, a.mi, 4, "deleting atom " + a.getAtomName ()); this.ms.deleteAtoms (bsAtoms); var n = this.slm.deleteAtoms (bsAtoms); this.setTainted (true); -this.sm.modifySend (atomIndex, this.ms.at[atomIndex].mi, -4, "OK"); +this.sm.modifySend (atomIndex, mi, -4, "OK"); return n; -}return this.deleteModels (this.ms.at[atomIndex].mi, bsAtoms); +}return this.deleteModels (mi, bsAtoms); }, "JU.BS,~B"); Clazz.defineMethod (c$, "deleteModels", function (modelIndex, bsAtoms) { this.clearModelDependentObjects (); this.sm.modifySend (-1, modelIndex, 5, "deleting model " + this.getModelNumberDotted (modelIndex)); +var currentModel = this.am.cmi; this.setCurrentModelIndexClear (0, false); this.am.setAnimationOn (false); var bsD0 = JU.BSUtil.copy (this.slm.bsDeleted); var bsModels = (bsAtoms == null ? JU.BSUtil.newAndSetBit (modelIndex) : this.ms.getModelBS (bsAtoms, false)); var bsDeleted = this.ms.deleteModels (bsModels); -this.slm.processDeletedModelAtoms (bsDeleted); +if (bsDeleted == null) { +this.setCurrentModelIndexClear (currentModel, false); +return 0; +}this.slm.processDeletedModelAtoms (bsDeleted); if (this.eval != null) this.eval.deleteAtomsInVariables (bsDeleted); this.setAnimationRange (0, 0); this.clearRepaintManager (-1); @@ -5490,7 +5619,8 @@ function () { return this.g.quaternionFrame.charAt (this.g.quaternionFrame.length == 2 ? 1 : 0); }); Clazz.defineMethod (c$, "loadImageData", -function (image, nameOrError, echoName, sc) { +function (image, nameOrError, echoName, sco) { +var sc = sco; if (image == null && nameOrError != null) this.scriptEcho (nameOrError); if (echoName == null) { this.setBackgroundImage ((image == null ? null : nameOrError), image); @@ -5507,7 +5637,7 @@ if (image != null) this.setShapeProperty (31, "image", image); sc.mustResumeEval = true; this.eval.resumeEval (sc); }return false; -}, "~O,~S,~S,JS.ScriptContext"); +}, "~O,~S,~S,~O"); Clazz.defineMethod (c$, "cd", function (dir) { if (dir == null) { @@ -5557,7 +5687,6 @@ this.setCursor (0); this.setBooleanProperty ("refreshing", true); this.fm.setPathForAllFiles (""); JU.Logger.error ("vwr handling error condition: " + er + " "); -if (!JV.Viewer.isJS) er.printStackTrace (); this.notifyError ("Error", "doClear=" + doClear + "; " + er, "" + er); } catch (e1) { try { @@ -5585,7 +5714,7 @@ var $function = (JV.Viewer.isStaticFunction (name) ? JV.Viewer.staticFunctions : return ($function == null || $function.geTokens () == null ? null : $function); }, "~S"); c$.isStaticFunction = Clazz.defineMethod (c$, "isStaticFunction", - function (name) { +function (name) { return name.startsWith ("static_"); }, "~S"); Clazz.defineMethod (c$, "isFunction", @@ -5656,7 +5785,7 @@ Clazz.defineMethod (c$, "checkMinimization", this.refreshMeasures (true); if (!this.g.monitorEnergy) return; try { -this.minimize (null, 0, 0, this.getAllAtoms (), null, 0, false, false, true, false); +this.minimize (null, 0, 0, this.getAllAtoms (), null, 0, 1); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { } else { @@ -5666,31 +5795,59 @@ throw e; this.echoMessage (this.getP ("_minimizationForceField") + " Energy = " + this.getP ("_minimizationEnergy")); }); Clazz.defineMethod (c$, "minimize", -function (eval, steps, crit, bsSelected, bsFixed, rangeFixed, addHydrogen, isOnly, isSilent, isLoad2D) { +function (eval, steps, crit, bsSelected, bsFixed, rangeFixed, flags) { +var isSilent = (flags & 1) == 1; +var isQuick = (flags & 4) == 4; +var hasRange = (flags & 16) == 0; +var addHydrogen = (flags & 8) == 8; var ff = this.g.forceField; var bsInFrame = this.getFrameAtoms (); -if (bsSelected == null) bsSelected = this.getModelUndeletedAtomsBitSet (this.getVisibleFramesBitSet ().length () - 1); - else bsSelected.and (bsInFrame); -if (rangeFixed <= 0) rangeFixed = 5.0; +if (bsSelected == null) bsSelected = this.getModelUndeletedAtomsBitSet (this.getVisibleFramesBitSet ().nextSetBit (0)); + else if (!isQuick) bsSelected.and (bsInFrame); +if (isQuick) { +this.getAuxiliaryInfoForAtoms (bsSelected).put ("dimension", "3D"); +bsInFrame = bsSelected; +}if (rangeFixed <= 0) rangeFixed = 5.0; var bsMotionFixed = JU.BSUtil.copy (bsFixed == null ? this.slm.getMotionFixedAtoms () : bsFixed); var haveFixed = (bsMotionFixed.cardinality () > 0); if (haveFixed) bsSelected.andNot (bsMotionFixed); -var bsNearby = (isOnly ? new JU.BS () : this.ms.getAtomsWithinRadius (rangeFixed, bsSelected, true, null)); +var bsNearby = (hasRange ? new JU.BS () : this.ms.getAtomsWithinRadius (rangeFixed, bsSelected, true, null)); bsNearby.andNot (bsSelected); if (haveFixed) { bsMotionFixed.and (bsNearby); } else { bsMotionFixed = bsNearby; }bsMotionFixed.and (bsInFrame); -if (addHydrogen) bsSelected.or (this.addHydrogens (bsSelected, isLoad2D, isSilent)); -var n = bsSelected.cardinality (); +flags |= ((haveFixed ? 2 : 0) | (this.getBooleanProperty ("minimizationSilent") ? 1 : 0)); +if (isQuick && this.getBoolean (603979962)) return; +if (isQuick) { +{ +try { +if (!isSilent) JU.Logger.info ("Minimizing " + bsSelected.cardinality () + " atoms"); +this.getMinimizer (true).minimize (steps, crit, bsSelected, bsMotionFixed, flags, "UFF"); +} catch (e) { +if (Clazz.exceptionOf (e, Exception)) { +JU.Logger.error ("Minimization error: " + e.toString ()); +e.printStackTrace (); +} else { +throw e; +} +} +}}if (addHydrogen) { +var bsH = this.addHydrogens (bsSelected, flags); +if (!isQuick) bsSelected.or (bsH); +}var n = bsSelected.cardinality (); if (ff.equals ("MMFF") && n > this.g.minimizationMaxAtoms) { this.scriptStatusMsg ("Too many atoms for minimization (" + n + ">" + this.g.minimizationMaxAtoms + "); use 'set minimizationMaxAtoms' to increase this limit", "minimization: too many atoms"); return; }try { if (!isSilent) JU.Logger.info ("Minimizing " + bsSelected.cardinality () + " atoms"); -this.getMinimizer (true).minimize (steps, crit, bsSelected, bsMotionFixed, haveFixed, isSilent, ff); -} catch (e$$) { +this.getMinimizer (true).minimize (steps, crit, bsSelected, bsMotionFixed, flags, (isQuick ? "MMFF" : ff)); +if (isQuick) { +this.g.forceField = "MMFF"; +this.setHydrogens (bsSelected); +this.showString ("Minimized by Jmol", false); +}} catch (e$$) { if (Clazz.exceptionOf (e$$, JV.JmolAsyncException)) { var e = e$$; { @@ -5700,13 +5857,31 @@ if (eval != null) eval.loadFileResourceAsync (e.getFileName ()); var e = e$$; { JU.Logger.error ("Minimization error: " + e.toString ()); -if (!JV.Viewer.isJS) e.printStackTrace (); +e.printStackTrace (); } } else { throw e$$; } } -}, "J.api.JmolScriptEvaluator,~N,~N,JU.BS,JU.BS,~N,~B,~B,~B,~B"); +}, "J.api.JmolScriptEvaluator,~N,~N,JU.BS,JU.BS,~N,~N"); +Clazz.defineMethod (c$, "setHydrogens", + function (bsAtoms) { +var nTotal = Clazz.newIntArray (1, 0); +var hatoms = this.ms.calculateHydrogens (bsAtoms, nTotal, null, 2052); +for (var i = bsAtoms.nextSetBit (0); i >= 0; i = bsAtoms.nextSetBit (i + 1)) { +var pts = hatoms[i]; +if (pts == null || pts.length == 0) continue; +var a = this.ms.at[i]; +var b = a.bonds; +for (var j = 0, pt = 0, n = a.getBondCount (); j < n; j++) { +var h = b[j].getOtherAtom (a); +if (h.getAtomicAndIsotopeNumber () == 1) { +var p = pts[pt++]; +this.ms.setAtomCoord (h.i, p.x, p.y, p.z); +}} +} +this.ms.resetMolecules (); +}, "JU.BS"); Clazz.defineMethod (c$, "setMotionFixedAtoms", function (bs) { this.slm.setMotionFixedAtoms (bs); @@ -5808,8 +5983,7 @@ this.setShapeProperty (6, "delete", Integer.$valueOf (i)); }, "~N"); Clazz.overrideMethod (c$, "getSmiles", function (bs) { -var is2D = ("2D".equals (this.ms.getInfoM ("dimension"))); -return this.getSmilesOpt (bs, -1, -1, (bs == null && JU.Logger.debugging ? 131072 : 0) | (is2D ? 32 : 0), null); +return this.getSmilesOpt (bs, -1, -1, (bs == null && JU.Logger.debugging ? 131072 : 0), null); }, "JU.BS"); Clazz.overrideMethod (c$, "getOpenSmiles", function (bs) { @@ -5836,12 +6010,18 @@ index2 = i; index2 = atoms[index2].group.lastAtomIndex; }bsSelected = new JU.BS (); bsSelected.setBits (index1, index2 + 1); -}}var sm = this.getSmilesMatcher (); +}}flags |= (this.isModel2D (bsSelected) ? 134217728 : 0); +var sm = this.getSmilesMatcher (); if (JV.JC.isSmilesCanonical (options)) { var smiles = sm.getSmiles (atoms, this.ms.ac, bsSelected, "/noAromatic/", flags); return this.getChemicalInfo (smiles, "smiles", null).trim (); }return sm.getSmiles (atoms, this.ms.ac, bsSelected, bioComment, flags); }, "JU.BS,~N,~N,~N,~S"); +Clazz.defineMethod (c$, "isModel2D", + function (bs) { +var m = this.getModelForAtomIndex (bs.nextSetBit (0)); +return (m != null && "2D".equals (m.auxiliaryInfo.get ("dimension"))); +}, "JU.BS"); Clazz.defineMethod (c$, "alert", function (msg) { this.prompt (msg, null, null, true); @@ -5919,7 +6099,7 @@ if (p.tok != 10 || !(p.value).get (atomIndex)) pickedList.pushPop (null, JS.SV.n }, "~N,~B"); Clazz.overrideMethod (c$, "runScript", function (script) { -return "" + this.evaluateExpression ( Clazz.newArray (-1, [ Clazz.newArray (-1, [JS.T.t (134222850), JS.T.t (268435472), JS.SV.newS (script), JS.T.t (268435473)])])); +return "" + this.evaluateExpression ( Clazz.newArray (-1, [ Clazz.newArray (-1, [JS.T.tokenScript, JS.T.tokenLeftParen, JS.SV.newS (script), JS.T.tokenRightParen])])); }, "~S"); Clazz.overrideMethod (c$, "runScriptCautiously", function (script) { @@ -5982,7 +6162,7 @@ return this.ms.getPartialCharges (); }, "JU.BS,JU.BS"); Clazz.defineMethod (c$, "calculatePartialCharges", function (bsSelected) { -if (bsSelected == null || bsSelected.isEmpty ()) bsSelected = this.getModelUndeletedAtomsBitSetBs (this.getVisibleFramesBitSet ()); +if (bsSelected == null || bsSelected.isEmpty ()) bsSelected = this.getFrameAtoms (); if (bsSelected.isEmpty ()) return; JU.Logger.info ("Calculating MMFF94 partial charges for " + bsSelected.cardinality () + " atoms"); this.getMinimizer (true).calculatePartialCharges (this.ms, bsSelected, null); @@ -6020,7 +6200,7 @@ this.setAnimationOn (false); }); Clazz.defineMethod (c$, "getEvalContextAndHoldQueue", function (eval) { -if (eval == null || !JV.Viewer.isJS && !this.testAsync) return null; +if (eval == null || !(JV.Viewer.isJS || this.testAsync)) return null; eval.pushContextDown ("getEvalContextAndHoldQueue"); var sc = eval.getThisContext (); sc.setMustResume (); @@ -6028,12 +6208,6 @@ sc.isJSThread = true; this.queueOnHold = true; return sc; }, "J.api.JmolScriptEvaluator"); -Clazz.overrideMethod (c$, "resizeInnerPanel", -function (width, height) { -if (!this.autoExit && this.haveDisplay) return this.sm.resizeInnerPanel (width, height); -this.setScreenDimension (width, height); -return Clazz.newIntArray (-1, [this.screenWidth, this.screenHeight]); -}, "~N,~N"); Clazz.defineMethod (c$, "getDefaultPropertyParam", function (propertyID) { return this.getPropertyManager ().getDefaultPropertyParam (propertyID); @@ -6051,21 +6225,21 @@ function (property, args, pt) { return this.getPropertyManager ().extractProperty (property, args, pt, null, false); }, "~O,~O,~N"); Clazz.defineMethod (c$, "addHydrogens", -function (bsAtoms, is2DLoad, isSilent) { +function (bsAtoms, flags) { +var isSilent = ((flags & 1) == 1); +var isQuick = ((flags & 4) == 4); var doAll = (bsAtoms == null); if (bsAtoms == null) bsAtoms = this.getModelUndeletedAtomsBitSet (this.getVisibleFramesBitSet ().length () - 1); var bsB = new JU.BS (); if (bsAtoms.isEmpty ()) return bsB; -var modelIndex = this.ms.at[bsAtoms.nextSetBit (0)].mi; -if (modelIndex != this.ms.mc - 1) return bsB; var vConnections = new JU.Lst (); -var pts = this.getAdditionalHydrogens (bsAtoms, doAll, false, vConnections); +var pts = this.getAdditionalHydrogens (bsAtoms, vConnections, flags | (doAll ? 256 : 0)); var wasAppendNew = false; wasAppendNew = this.g.appendNew; if (pts.length > 0) { this.clearModelDependentObjects (); try { -bsB = (is2DLoad ? this.ms.addHydrogens (vConnections, pts) : this.addHydrogensInline (bsAtoms, vConnections, pts)); +bsB = (isQuick ? this.ms.addHydrogens (vConnections, pts) : this.addHydrogensInline (bsAtoms, vConnections, pts)); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { System.out.println (e.toString ()); @@ -6076,7 +6250,7 @@ throw e; if (wasAppendNew) this.g.appendNew = true; }if (!isSilent) this.scriptStatus (J.i18n.GT.i (J.i18n.GT.$ ("{0} hydrogens added"), pts.length)); return bsB; -}, "JU.BS,~B,~B"); +}, "JU.BS,~N"); Clazz.defineMethod (c$, "addHydrogensInline", function (bsAtoms, vConnections, pts) { if (this.getScriptManager () == null) return null; @@ -6097,7 +6271,7 @@ Clazz.overrideMethod (c$, "evaluateExpression", function (stringOrTokens) { return (this.getScriptManager () == null ? null : this.eval.evaluateExpression (stringOrTokens, false, false)); }, "~O"); -Clazz.defineMethod (c$, "evaluateExpressionAsVariable", +Clazz.overrideMethod (c$, "evaluateExpressionAsVariable", function (stringOrTokens) { return (this.getScriptManager () == null ? null : this.eval.evaluateExpression (stringOrTokens, true, false)); }, "~O"); @@ -6152,9 +6326,11 @@ if (iboxed != null) return iboxed.intValue (); var i = id.charCodeAt (0); if (id.length > 1) { i = 300 + this.chainList.size (); -} else if (isAssign && 97 <= i && i <= 122) { +} else if ((isAssign || this.chainCaseSpecified) && 97 <= i && i <= 122) { i += 159; }if (i >= 256) { +iboxed = this.chainMap.get (id); +if (iboxed != null) return iboxed.intValue (); this.chainCaseSpecified = new Boolean (this.chainCaseSpecified | isAssign).valueOf (); this.chainList.addLast (id); }iboxed = Integer.$valueOf (i); @@ -6273,22 +6449,19 @@ Clazz.defineMethod (c$, "getAtomValidation", function (type, atom) { return this.getAnnotationParser (false).getAtomValidation (this, type, atom); }, "~S,JM.Atom"); -Clazz.defineMethod (c$, "getJzt", -function () { -return (this.jzt == null ? this.jzt = J.api.Interface.getInterface ("JU.ZipTools", this, "zip") : this.jzt); -}); Clazz.defineMethod (c$, "dragMinimizeAtom", function (iAtom) { this.stopMinimization (); var bs = (this.getMotionFixedAtoms ().isEmpty () ? this.ms.getAtoms ((this.ms.isAtomPDB (iAtom) ? 1086324742 : 1094713360), JU.BSUtil.newAndSetBit (iAtom)) : JU.BSUtil.setAll (this.ms.ac)); try { -this.minimize (null, 2147483647, 0, bs, null, 0, false, false, false, false); +this.minimize (null, 2147483647, 0, bs, null, 0, 0); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { if (!this.async) return; +var me = this; +var r = ((Clazz.isClassDefined ("JV.Viewer$1") ? 0 : JV.Viewer.$Viewer$1$ ()), Clazz.innerTypeInstance (JV.Viewer$1, this, Clazz.cloneFinals ("me", me, "iAtom", iAtom))); { -var me = this; setTimeout(function() -{me.dragMinimizeAtom(iAtom)}, 100); +setTimeout(function(){r.run()}, 100); }} else { throw e; } @@ -6316,7 +6489,7 @@ return (this.jsonParser == null ? this.jsonParser = J.api.Interface.getInterface }); Clazz.defineMethod (c$, "parseJSON", function (str) { -return (str == null ? null : str.startsWith ("{") ? this.parseJSONMap (str) : this.parseJSONArray (str)); +return (str == null ? null : (str = str.trim ()).startsWith ("{") ? this.parseJSONMap (str) : this.parseJSONArray (str)); }, "~S"); Clazz.defineMethod (c$, "parseJSONMap", function (jsonMap) { @@ -6380,14 +6553,6 @@ Clazz.defineMethod (c$, "getSubstructureSetArrayForNodes", function (pattern, nodes, flags) { return this.getSmilesMatcher ().getSubstructureSetArray (pattern, nodes, nodes.length, null, null, flags); }, "~S,~A,~N"); -Clazz.defineMethod (c$, "getPdbID", -function () { -return (this.ms.getInfo (this.am.cmi, "isPDB") === Boolean.TRUE ? this.ms.getInfo (this.am.cmi, "pdbID") : null); -}); -Clazz.defineMethod (c$, "getModelInfo", -function (key) { -return this.ms.getInfo (this.am.cmi, key); -}, "~S"); Clazz.defineMethod (c$, "getSmilesAtoms", function (smiles) { return this.getSmilesMatcher ().getAtoms (smiles); @@ -6404,24 +6569,14 @@ throw e; } } }, "~S"); -Clazz.defineMethod (c$, "getModelForAtomIndex", -function (iatom) { -return this.ms.am[this.ms.at[iatom].mi]; -}, "~N"); -Clazz.defineMethod (c$, "assignAtom", -function (atomIndex, element, ptNew) { -if (atomIndex < 0) atomIndex = this.atomHighlighted; -if (this.ms.isAtomInLastModel (atomIndex)) { -this.script ("assign atom ({" + atomIndex + "}) \"" + element + "\" " + (ptNew == null ? "" : JU.Escape.eP (ptNew))); -}}, "~N,~S,JU.P3"); -Clazz.defineMethod (c$, "getModelkit", -function (andShow) { -if (this.modelkit == null) { -this.modelkit = this.apiPlatform.getMenuPopup (null, 'm'); -} else if (andShow) { -this.modelkit.jpiUpdateComputedMenus (); -}return this.modelkit; -}, "~B"); +Clazz.defineMethod (c$, "getPdbID", +function () { +return (this.ms.getInfo (this.am.cmi, "isPDB") === Boolean.TRUE ? this.ms.getInfo (this.am.cmi, "pdbID") : null); +}); +Clazz.defineMethod (c$, "getModelInfo", +function (key) { +return this.ms.getInfo (this.am.cmi, key); +}, "~S"); Clazz.defineMethod (c$, "notifyScriptEditor", function (msWalltime, data) { if (this.scriptEditor != null) { @@ -6440,18 +6595,19 @@ function (key, value) { return (this.modelkit == null ? null : this.modelkit.setProperty (key, value)); }, "~S,~O"); Clazz.defineMethod (c$, "getSymmetryInfo", -function (iatom, xyz, iOp, pt1, pt2, type, desc, scaleFactor, nth, options) { +function (iatom, xyz, iOp, translation, pt1, pt2, type, desc, scaleFactor, nth, options) { try { -return this.getSymTemp ().getSymmetryInfoAtom (this.ms, iatom, xyz, iOp, pt1, pt2, desc, type, scaleFactor, nth, options); +return this.getSymTemp ().getSymmetryInfoAtom (this.ms, iatom, xyz, iOp, translation, pt1, pt2, desc, type, scaleFactor, nth, options); } catch (e) { if (Clazz.exceptionOf (e, Exception)) { System.out.println ("Exception in Viewer.getSymmetryInfo: " + e); +if (!JV.Viewer.isJS) e.printStackTrace (); return null; } else { throw e; } } -}, "~N,~S,~N,JU.P3,JU.P3,~N,~S,~N,~N,~N"); +}, "~N,~S,~N,JU.P3,JU.P3,JU.P3,~N,~S,~N,~N,~N"); Clazz.defineMethod (c$, "setModelKitRotateBondIndex", function (i) { if (this.modelkit != null) { @@ -6480,12 +6636,50 @@ return s.toString (); }key = key.toLowerCase (); return this.macros.containsKey (key) ? (this.macros.get (key)).get ("path").toString () : null; }, "~S"); +Clazz.defineMethod (c$, "getInchi", +function (atoms, molData, options) { +try { +var inch = this.apiPlatform.getInChI (); +if (atoms == null && molData == null) return ""; +if (molData != null) { +if (molData.startsWith ("$") || molData.startsWith (":")) { +molData = this.getFileAsString4 (molData, -1, false, false, true, "script"); +} else if (!molData.startsWith ("InChI=") && molData.indexOf (" ") < 0) { +molData = this.getFileAsString4 ("$" + molData, -1, false, false, true, "script"); +}}return inch.getInchi (this, atoms, molData, options); +} catch (t) { +return ""; +} +}, "JU.BS,~S,~S"); +Clazz.defineMethod (c$, "getConsoleFontScale", +function () { +return this.consoleFontScale; +}); +Clazz.defineMethod (c$, "setConsoleFontScale", +function (scale) { +this.consoleFontScale = scale; +}, "~N"); +Clazz.defineMethod (c$, "confirm", +function (msg, msgNo) { +return this.apiPlatform.confirm (msg, msgNo); +}, "~S,~S"); Clazz.pu$h(self.c$); c$ = Clazz.declareType (JV.Viewer, "ACCESS", Enum); Clazz.defineEnumConstant (c$, "NONE", 0, []); Clazz.defineEnumConstant (c$, "READSPT", 1, []); Clazz.defineEnumConstant (c$, "ALL", 2, []); c$ = Clazz.p0p (); +c$.$Viewer$1$ = function () { +Clazz.pu$h(self.c$); +c$ = Clazz.declareAnonymous (JV, "Viewer$1", null, Runnable); +Clazz.overrideMethod (c$, "run", +function () { +this.f$.me.dragMinimizeAtom (this.f$.iAtom); +}); +c$ = Clazz.p0p (); +}; +Clazz.defineStatics (c$, +"nullDeletedAtoms", false); { { self.Jmol && Jmol.extend && Jmol.extend("vwr", @@ -6514,6 +6708,11 @@ Clazz.defineStatics (c$, "SYNC_NO_GRAPHICS_MESSAGE", "SET_GRAPHICS_OFF"); c$.staticFunctions = c$.prototype.staticFunctions = new java.util.Hashtable (); Clazz.defineStatics (c$, +"MIN_SILENT", 1, +"MIN_HAVE_FIXED", 2, +"MIN_QUICK", 4, +"MIN_ADDH", 8, +"MIN_NO_RANGE", 16, "nProcessors", 1); { { diff --git a/qmpy/web/static/js/jsmol/j2s/Jmol.properties b/qmpy/web/static/js/jsmol/j2s/Jmol.properties index d756427a..d4c6f6d2 100644 --- a/qmpy/web/static/js/jsmol/j2s/Jmol.properties +++ b/qmpy/web/static/js/jsmol/j2s/Jmol.properties @@ -1,3 +1,3 @@ -Jmol.___JmolDate="$Date: 2020-05-27 14:50:46 -0500 (Wed, 27 May 2020) $" -Jmol.___fullJmolProperties="src/org/jmol/viewer/Jmol.properties" -Jmol.___JmolVersion="14.31.2" +Jmol.___JmolDate="$Date: 2021-12-23 12:47:05 -0600 (Thu, 23 Dec 2021) $" +Jmol.___fullJmolProperties="src/org/jmol/viewer/Jmol.properties" +Jmol.___JmolVersion="14.32.6" diff --git a/qmpy/web/static/js/jsmol/j2s/_ES6/molfile-to-inchi.js b/qmpy/web/static/js/jsmol/j2s/_ES6/molfile-to-inchi.js new file mode 100644 index 00000000..afef5141 --- /dev/null +++ b/qmpy/web/static/js/jsmol/j2s/_ES6/molfile-to-inchi.js @@ -0,0 +1,104 @@ +import WASI from '../_WASM/wasi.esm.js'; +/* + * Creates [J2S|Jmol].molfileToInChI(molFileString) and .showInChIOptions() + * + * Based on Richard Apodaca + * https://github.com/rapodaca/inchi-wasm/blob/master/lib/molfile-to-inchi.js + * + * An LLVM-generated Web Assembly implementation of InChI + * + * + * Uses molfile_to_inchi.wasm and wasi.esm.js, from molfile_to_inchi.c + * and InChI 1.05 + * + * @author Rich Apodaca + * @author Bob Hanson 2020.12.12 + * + * + */ +const app = (self.J2S || self.Jmol || self); +const wasmPath = app.inchiPath || "."; +const memory = new WebAssembly.Memory({ initial: 10 }); +const inputMaxBytes = app.inchiMaxBytes || 0x8000; +const outputMaxBytes = 0x4000; +(async () => { + const response = await fetch(wasmPath + '/molfile_to_inchi.wasm'); + const bytes = await response.arrayBuffer(); + const wasi = new WASI(); + const { instance } = await WebAssembly.instantiate(bytes, { + env: { memory }, wasi_snapshot_preview1: wasi.wasiImport + }); + const pInput = instance.exports.malloc(inputMaxBytes); + const pOptions = instance.exports.malloc(0x100); + const pOutput = instance.exports.malloc(outputMaxBytes); + + app.showInChIOptions = () => { + var s = ""; + + // s += ("-RTrip Do a round trip test for each InChI generated\n"); + // s += ("-Key Generate InChIKey\n"); + s += ("-SNon Exclude stereo (default: include absolute stereo)\n"); + s += ("-SRel Relative stereo\n"); + s += ("-SRac Racemic stereo\n"); + // s += ("-SUCF Use Chiral Flag: On means Absolute stereo, Off - Relative\n"); + // s += ("-NEWPSOFF Both ends of wedge point to stereocenters (default: a narrow end)\n"); + s += ("-DoNotAddH All H are explicit (default: add H according to usual valences)\n"); + s += ("-SUU Always include omitted unknown/undefined stereo\n"); + s += ("-SLUUD Make labels for unknown and undefined stereo different\n"); + s += ("-FixedH Include Fixed H layer\n"); + s += ("-RecMet Include reconnected metals results\n"); + s += ("-KET Account for keto-enol tautomerism (experimental)\n"); + s += ("-15T Account for 1,5-tautomerism (experimental)\n"); + // s += ("-AuxNone Omit auxiliary information (default: Include)\n"); + // s += ("-WarnOnEmptyStructure Warn and produce empty InChI for empty structure\n"); + // s += ("-SaveOpt Save custom InChI creation options (non-standard InChI)\n"); + // s += ("-Wnumber Set time-out per structure in seconds; W0 means unlimited\n"); + // s += ("-LargeMolecules Treat molecules up to 32766 atoms (experimental)\n"); + alert(s); + }; + + app.molfileToInChI = (molfile,options) => { + options || (options = ""); + if (molfile.length + 1 > inputMaxBytes) { + alert("Model data is over the maximum of " + inputMaxBytes + " bytes. \nYou can set this as Jmol.inchiMaxBytes."); + return ""; + } + const encoder = new TextEncoder(); + const decoder = new TextDecoder(); + + const inputView = new Uint8Array(memory.buffer); + inputView.set(encoder.encode(molfile + "\0"), pInput); + molfile = ""; // BH this is just so we can debug easier. + inputView.set(encoder.encode(options + "\0"), pOptions); + + const result = instance.exports.molfile_to_inchi(pInput, pOptions, pOutput); + + const outputView = new Uint8Array(memory.buffer.slice(pOutput, pOutput + outputMaxBytes)); + const o = outputView.subarray(0, outputView.indexOf(0)); + const output = decoder.decode(o); + + if (result < 0 || result > 1) { + alert("Error code " + result + " " + output.length); + } + + return (options.toLowerCase().indexOf("key") >= 0 ? toKey(output) : output); + }; + + app.inchiToInchiKey = (inchi) => { + return toKey(inchi); + }; + + const toKey = (inchi) => { + const inputView = new Uint8Array(memory.buffer); + + inputView.set(new TextEncoder().encode(inchi + "\0"), pInput); + + const ret = instance.exports.inchi_to_inchikey(pInput, pOutput); + const outputView = new Uint8Array(memory.buffer.slice(pOutput, pOutput + outputMaxBytes)); + + return new TextDecoder().decode(outputView.subarray(0, outputView.indexOf(0))); + }; + + window.dispatchEvent(new Event('InChIReady')); + +})(); \ No newline at end of file diff --git a/qmpy/web/static/js/jsmol/j2s/_WASM/molfile_to_inchi.wasm b/qmpy/web/static/js/jsmol/j2s/_WASM/molfile_to_inchi.wasm new file mode 100644 index 00000000..24f3badd Binary files /dev/null and b/qmpy/web/static/js/jsmol/j2s/_WASM/molfile_to_inchi.wasm differ diff --git a/qmpy/web/static/js/jsmol/j2s/_WASM/wasi.esm.js b/qmpy/web/static/js/jsmol/j2s/_WASM/wasi.esm.js new file mode 100644 index 00000000..7329f49b --- /dev/null +++ b/qmpy/web/static/js/jsmol/j2s/_WASM/wasi.esm.js @@ -0,0 +1,177 @@ +/* + ***************************************************************************** +Copyright (c) Microsoft Corporation. All rights reserved. +Licensed under the Apache License, Version 2.0 (the "License"); you may not use +this file except in compliance with the License. You may obtain a copy of the +License at http://www.apache.org/licenses/LICENSE-2.0 + +THIS CODE IS PROVIDED ON AN *AS IS* BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY +KIND, EITHER EXPRESS OR IMPLIED, INCLUDING WITHOUT LIMITATION ANY IMPLIED +WARRANTIES OR CONDITIONS OF TITLE, FITNESS FOR A PARTICULAR PURPOSE, +MERCHANTABLITY OR NON-INFRINGEMENT. + +See the Apache Version 2.0 License for specific language governing permissions +and limitations under the License. +*****************************************************************************/ +function aa(a,b){aa=Object.setPrototypeOf||{__proto__:[]}instanceof Array&&function(a,b){a.__proto__=b}||function(a,b){for(var c in b)b.hasOwnProperty(c)&&(a[c]=b[c])};return aa(a,b)}function ba(a,b){function c(){this.constructor=a}aa(a,b);a.prototype=null===b?Object.create(b):(c.prototype=b.prototype,new c)}function ca(a){var b="function"===typeof Symbol&&a[Symbol.iterator],c=0;return b?b.call(a):{next:function(){a&&c>=a.length&&(a=void 0);return{value:a&&a[c++],done:!a}}}} +function da(a,b){var c="function"===typeof Symbol&&a[Symbol.iterator];if(!c)return a;a=c.call(a);var d,e=[];try{for(;(void 0===b||0a;++a)p[a]="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/"[a],u["ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/".charCodeAt(a)]=a;u[45]=62;u[95]=63} +function ma(a,b,c){for(var d=[],e=b;e>18&63]+p[b>>12&63]+p[b>>6&63]+p[b&63]);return d.join("")}function na(a){ja||ka();for(var b=a.length,c=b%3,d="",e=[],f=0,g=b-c;fg?g:f+16383));1===c?(a=a[b-1],d+=p[a>>2],d+=p[a<<4&63],d+="=="):2===c&&(a=(a[b-2]<<8)+a[b-1],d+=p[a>>10],d+=p[a>>4&63],d+=p[a<<2&63],d+="=");e.push(d);return e.join("")} +function oa(a,b,c,d,e){var f=8*e-d-1;var g=(1<>1,n=-7;e=c?e-1:0;var m=c?-1:1,r=a[b+e];e+=m;c=r&(1<<-n)-1;r>>=-n;for(n+=f;0>=-n;for(n+=d;0>1,r=23===e?Math.pow(2,-24)-Math.pow(2,-77):0;f=d?0:f-1;var q=d?1:-1,x=0>b||0===b&&0>1/b?1:0;b=Math.abs(b);isNaN(b)||Infinity===b?(b=isNaN(b)?1:0,d=n):(d=Math.floor(Math.log(b)/Math.LN2),1>b*(g=Math.pow(2,-d))&&(d--,g*=2),b=1<=d+m?b+r/g:b+r*Math.pow(2,1-m),2<=b*g&&(d++,g/=2),d+m>=n?(b=0,d=n):1<=d+m?(b=(b*g-1)*Math.pow(2,e),d+=m):(b=b*Math.pow(2,m-1)*Math.pow(2,e),d=0));for(;8<=e;a[c+f]=b&255,f+=q,b/=256,e-=8);d=d<c||b.byteLengtha)throw new RangeError('"size" argument must not be negative');}w.alloc=function(a,b,c){xa(a);a=0>=a?y(null,a):void 0!==b?"string"===typeof c?y(null,a).fill(b,c):y(null,a).fill(b):y(null,a);return a};function sa(a,b){xa(b);a=y(a,0>b?0:ya(b)|0);if(!w.TYPED_ARRAY_SUPPORT)for(var c=0;cb.length?0:ya(b.length)|0;a=y(a,c);for(var d=0;d=(w.TYPED_ARRAY_SUPPORT?2147483647:1073741823))throw new RangeError("Attempt to allocate Buffer larger than maximum size: 0x"+(w.TYPED_ARRAY_SUPPORT?2147483647:1073741823).toString(16)+" bytes");return a|0}w.isBuffer=za;function z(a){return!(null==a||!a._isBuffer)} +w.compare=function(a,b){if(!z(a)||!z(b))throw new TypeError("Arguments must be Buffers");if(a===b)return 0;for(var c=a.length,d=b.length,e=0,f=Math.min(c,d);e>>1;case "base64":return Ba(a).length; 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+b=D.from(g.memory.buffer,b,c).toString();q.unlinkSync(x.resolve(a.path,b));return 0}),poll_oneoff:function(a,c,d,e){var f=0,h=0;g.refreshMemory();for(var m=0;mh?q:h);g.view.setBigUint64(c, +n,!0);c+=8;g.view.setUint16(c,v,!0);c+=2;g.view.setUint8(c,0);c+=1;c+=5;f+=1;break;case 1:case 2:a+=3;g.view.getUint32(a,!0);a+=4;g.view.setBigUint64(c,n,!0);c+=8;g.view.setUint16(c,52,!0);c+=2;g.view.setUint8(c,q);c+=1;c+=5;f+=1;break;default:return 28}}for(g.view.setUint32(e,f,!0);r.hrtime() 0) this.applySymmetryAndSetTrajectory (); -this.model (modelNo); +this.model (modelNo, modelName); if (this.isLegacyModelType || !isAtom) return true; }if (this.isMultiModel && !this.doProcessLines) { return true; @@ -287,8 +288,8 @@ this.finalizeReaderPDB (); Clazz_defineMethod (c$, "finalizeReaderPDB", function () { this.checkNotPDB (); -if (this.pdbID != null) { -this.asc.setAtomSetName (this.pdbID); +if (this.pdbID != null && this.pdbID.length > 0) { +if (!this.isMultiModel) this.asc.setAtomSetName (this.pdbID); this.asc.setCurrentModelInfo ("pdbID", this.pdbID); }this.checkUnitCellParams (); if (!this.isCourseGrained) this.connectAll (this.maxSerial, this.isConnectStateBug); @@ -813,20 +814,27 @@ if (endModelColumn > this.lineLength) endModelColumn = this.lineLength; var iModel = this.parseIntRange (this.line, startModelColumn, endModelColumn); return (iModel == -2147483648 ? 0 : iModel); }); +Clazz_defineMethod (c$, "getModelName", + function () { +if (this.lineLength < 16) return null; +var name = this.line.substring (15, this.lineLength).trim (); +return (name.length == 0 ? null : name); +}); Clazz_defineMethod (c$, "model", -function (modelNumber) { +function (modelNumber, name) { this.checkNotPDB (); +if (name == null) name = this.pdbID; this.haveMappedSerials = false; this.sbConect = null; this.asc.newAtomSet (); this.asc.setCurrentModelInfo ("pdbID", this.pdbID); if (this.asc.iSet == 0 || this.isTrajectory) this.asc.setAtomSetName (this.pdbID); - else this.asc.setCurrentModelInfo ("name", this.pdbID); +this.asc.setCurrentModelInfo ("name", name); this.checkUnitCellParams (); if (!this.isCourseGrained) this.setModelPDB (true); this.asc.setCurrentAtomSetNumber (modelNumber); if (this.isCourseGrained) this.asc.setCurrentModelInfo ("courseGrained", Boolean.TRUE); -}, "~N"); +}, "~N,~S"); Clazz_defineMethod (c$, "checkNotPDB", function () { var isPDB = (!this.isCourseGrained && (this.nRes == 0 || this.nUNK != this.nRes)); @@ -1372,7 +1380,7 @@ var m = groups[ipt]; if (offset == 1 && !m.isConnectedPrevious ()) return -1; if ("\0".equals (name)) return m.leadAtomIndex; var atoms = this.chain.model.ms.at; -for (var i = m.firstAtomIndex; i <= m.lastAtomIndex; i++) if (name == null || name.equalsIgnoreCase (atoms[i].getAtomName ())) return i; +for (var i = m.firstAtomIndex; i <= m.lastAtomIndex; i++) if (atoms[i] != null && (name == null || name.equalsIgnoreCase (atoms[i].getAtomName ()))) return i; }}return -1; }, "~S,~N"); @@ -1847,7 +1855,7 @@ this.type = type; this.vectorProjection = new JU.V3 (); this.monomerIndexFirst = monomerIndex; this.addMonomer (monomerIndex + monomerCount - 1); -if (JU.Logger.debugging) JU.Logger.info ("Creating ProteinStructure " + this.strucNo + " " + type.getBioStructureTypeName (false) + " from " + this.monomerIndexFirst + " through " + this.monomerIndexLast + " in polymer " + apolymer); +if (JU.Logger.debugging) JU.Logger.info ("Creating ProteinStructure " + this.strucNo + " " + type.getBioStructureTypeName (false) + " from " + apolymer.monomers[this.monomerIndexFirst] + " through " + apolymer.monomers[this.monomerIndexLast] + " in polymer " + apolymer); }, "JM.AlphaPolymer,J.c.STR,~N,~N"); Clazz_defineMethod (c$, "addMonomer", function (index) { @@ -2267,10 +2275,13 @@ var previousVectorC = null; for (var i = 1; i < this.monomerCount; ++i) { vectorA.sub2 (this.leadMidpoints[i], this.leadPoints[i]); vectorB.sub2 (this.leadPoints[i], this.leadMidpoints[i + 1]); +if (vectorB.length () == 0) { +vectorC = previousVectorC; +} else { vectorC.cross (vectorA, vectorB); vectorC.normalize (); if (previousVectorC != null && previousVectorC.angle (vectorC) > 1.5707963267948966) vectorC.scale (-1); -previousVectorC = this.wingVectors[i] = JU.V3.newV (vectorC); +}previousVectorC = this.wingVectors[i] = JU.V3.newV (vectorC); } }}this.wingVectors[0] = this.wingVectors[1]; this.wingVectors[this.monomerCount] = this.wingVectors[this.monomerCount - 1]; @@ -2377,6 +2388,10 @@ Clazz_defineMethod (c$, "isCyclic", function () { return ((this.cyclicFlag == 0 ? (this.cyclicFlag = (this.monomerCount >= 4 && this.monomers[0].isConnectedAfter (this.monomers[this.monomerCount - 1])) ? 1 : -1) : this.cyclicFlag) == 1); }); +Clazz_overrideMethod (c$, "toString", +function () { +return "[Polymer type " + this.type + " n=" + this.monomerCount + " " + (this.monomerCount > 0 ? this.monomers[0] + " " + this.monomers[this.monomerCount - 1] : "") + "]"; +}); Clazz_defineStatics (c$, "TYPE_NOBONDING", 0, "TYPE_AMINO", 1, @@ -3222,48 +3237,56 @@ case 136314895: case 2097184: var type = (tokType == 136314895 ? J.c.STR.HELIX : J.c.STR.SHEET); for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isWithinStructure (type)) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097188: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isCarbohydrate ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097156: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isDna ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097166: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isNucleic ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097168: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isProtein ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097170: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isPurine ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097172: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isPyrimidine ()) g.setAtomBits (bs); i = g.firstAtomIndex; } break; case 2097174: for (i = ac; --i >= 0; ) { +if (at[i] == null) continue; if ((g = at[i].group).isRna ()) g.setAtomBits (bs); i = g.firstAtomIndex; } @@ -3330,7 +3353,7 @@ var at0 = (bsAtoms == null ? 0 : bsAtoms.nextSetBit (0)); if (at0 < 0) return ""; if (bsAtoms != null && mode == 4138) { bsAtoms = JU.BSUtil.copy (bsAtoms); -for (var i = this.ms.ac; --i >= 0; ) if (Float.isNaN (atoms[i].group.getGroupParameter (1111490569)) || Float.isNaN (atoms[i].group.getGroupParameter (1111490570))) bsAtoms.clear (i); +for (var i = this.ms.ac; --i >= 0; ) if (atoms[i] == null || Float.isNaN (atoms[i].group.getGroupParameter (1111490569)) || Float.isNaN (atoms[i].group.getGroupParameter (1111490570))) bsAtoms.clear (i); }var at1 = (bsAtoms == null ? this.ms.ac : bsAtoms.length ()) - 1; var im0 = atoms[at0].mi; @@ -3455,6 +3478,7 @@ iLast = i = g.lastAtomIndex; } var lastStrucNo = Clazz_newIntArray (this.ms.mc, 0); for (var i = 0; i < this.ms.ac; i++) { +if (at[i] == null) continue; var modelIndex = at[i].mi; if (!bsModels.get (modelIndex)) { i = am[modelIndex].firstAtomIndex + am[modelIndex].act - 1; @@ -3466,6 +3490,7 @@ if (iLast < 1000 && iLast > lastStrucNo[modelIndex]) lastStrucNo[modelIndex] = i i = g.lastAtomIndex; }} for (var i = 0; i < this.ms.ac; i++) { +if (at[i] == null) continue; var modelIndex = at[i].mi; if (!bsModels.get (modelIndex)) { i = am[modelIndex].firstAtomIndex + am[modelIndex].act - 1; @@ -3690,6 +3715,7 @@ var bsModels = JU.BS.newN (this.ms.mc); var isAll = (bsAtoms == null); var i0 = (isAll ? this.ms.ac - 1 : bsAtoms.nextSetBit (0)); for (var i = i0; i >= 0; i = (isAll ? i - 1 : bsAtoms.nextSetBit (i + 1))) { +if (this.ms.at[i] == null) continue; var modelIndex = this.ms.am[this.ms.at[i].mi].trajectoryBaseIndex; if (this.ms.isJmolDataFrameForModel (modelIndex)) continue; bsModels.set (modelIndex); @@ -3985,6 +4011,7 @@ this.htBondMap = null; this.htGroupBonds = null; this.hNames = null; this.baseBondIndex = 0; +this.hasCONECT = false; this.bsAssigned = null; Clazz_instantialize (this, arguments); }, JM, "BioResolver", null, java.util.Comparator); @@ -4009,6 +4036,7 @@ JM.Group.specialAtomNames = JM.BioResolver.specialAtomNames; this.ms = modelLoader.ms; this.vwr = modelLoader.ms.vwr; modelLoader.specialAtomIndexes = Clazz_newIntArray (JM.BioResolver.ATOMID_MAX, 0); +this.hasCONECT = (this.ms.getInfoM ("someModelsHaveCONECT") === Boolean.TRUE); }return this; }, "JM.ModelLoader"); Clazz_defineMethod (c$, "setViewer", @@ -4069,7 +4097,7 @@ Clazz_defineMethod (c$, "addImplicitHydrogenAtoms", function (adapter, iGroup, nH) { var group3 = this.ml.getGroup3 (iGroup); var nH1; -if (this.haveHsAlready || group3 == null || (nH1 = JM.BioResolver.getStandardPdbHydrogenCount (group3)) == 0) return; +if (this.haveHsAlready && this.hasCONECT || group3 == null || (nH1 = JM.BioResolver.getStandardPdbHydrogenCount (group3)) == 0) return; nH = (nH1 < 0 ? -1 : nH1 + nH); var model = null; var iFirst = this.ml.getFirstAtomIndex (iGroup); @@ -4082,12 +4110,13 @@ nH = adapter.getHydrogenAtomCount (model); if (nH < 1) return; }this.getBondInfo (adapter, group3, model); this.ms.am[this.ms.at[iFirst].mi].isPdbWithMultipleBonds = true; +if (this.haveHsAlready) return; this.bsAtomsForHs.setBits (iFirst, ac); this.bsAddedHydrogens.setBits (ac, ac + nH); var isHetero = this.ms.at[iFirst].isHetero (); var xyz = JU.P3.new3 (NaN, NaN, NaN); var a = this.ms.at[iFirst]; -for (var i = 0; i < nH; i++) this.ms.addAtom (a.mi, a.group, 1, "H", null, 0, a.getSeqID (), 0, xyz, NaN, null, 0, 0, 1, 0, null, isHetero, 0, null).$delete (null); +for (var i = 0; i < nH; i++) this.ms.addAtom (a.mi, a.group, 1, "H", null, 0, a.getSeqID (), 0, xyz, NaN, null, 0, 0, 1, 0, null, isHetero, 0, null, NaN).$delete (null); }, "J.api.JmolAdapter,~N,~N"); Clazz_defineMethod (c$, "getBondInfo", @@ -4175,12 +4204,12 @@ if (this.bsAddedHydrogens.nextSetBit (0) < 0) return; this.bsAddedMask = JU.BSUtil.copy (this.bsAddedHydrogens); this.finalizePdbCharges (); var nTotal = Clazz_newIntArray (1, 0); -var pts = this.ms.calculateHydrogens (this.bsAtomsForHs, nTotal, true, false, null); +var pts = this.ms.calculateHydrogens (this.bsAtomsForHs, nTotal, null, 256); var groupLast = null; var ipt = 0; +var atom; for (var i = 0; i < pts.length; i++) { -if (pts[i] == null) continue; -var atom = this.ms.at[i]; +if (pts[i] == null || (atom = this.ms.at[i]) == null) continue; var g = atom.group; if (g !== groupLast) { groupLast = g; @@ -4287,8 +4316,10 @@ var n = this.ml.baseAtomIndex; var models = this.ms.am; var atoms = this.ms.at; for (var i = this.ml.baseAtomIndex; i < this.ms.ac; i++) { -models[atoms[i].mi].bsAtoms.clear (i); -models[atoms[i].mi].bsAtomsDeleted.clear (i); +var a = atoms[i]; +if (a == null) continue; +models[a.mi].bsAtoms.clear (i); +models[a.mi].bsAtomsDeleted.clear (i); if (bsDeletedAtoms.get (i)) { mapOldToNew[i] = n - 1; models[atoms[i].mi].act--; @@ -4684,7 +4715,7 @@ if (possiblyPreviousMonomer == null) return true; for (var i = this.firstAtomIndex; i <= this.lastAtomIndex; i++) for (var j = possiblyPreviousMonomer.firstAtomIndex; j <= possiblyPreviousMonomer.lastAtomIndex; j++) { var a = this.chain.model.ms.at[i]; var b = this.chain.model.ms.at[j]; -if (a.getElementNumber () + b.getElementNumber () == 14 && a.distanceSquared (b) < 3.24) return true; +if (a != null && b != null && a.getElementNumber () + b.getElementNumber () == 14 && a.distanceSquared (b) < 3.24) return true; } return false; @@ -6495,7 +6526,7 @@ this.wireframeOnly = TF; TF = (this.isExport || !this.wireframeOnly && this.vwr.getBoolean (603979864)); if (TF != this.isHighRes) this.invalidateMesh = true; this.isHighRes = TF; -TF = !this.wireframeOnly && (this.vwr.getBoolean (603979817) || this.isExport); +TF = !this.wireframeOnly && (this.vwr.getBoolean (603979816) || this.isExport); if (this.cartoonsFancy != TF) { this.invalidateMesh = true; this.cartoonsFancy = TF; @@ -6665,7 +6696,7 @@ if (!thisTypeOnly || this.structureTypes[i] === this.structureTypes[this.iNext]) this.diameterMid = Clazz_floatToInt (this.vwr.tm.scaleToScreen (this.monomers[i].getLeadAtom ().sZ, this.madMid)); this.diameterEnd = Clazz_floatToInt (this.vwr.tm.scaleToScreen (Clazz_floatToInt (this.controlPointScreens[this.iNext].z), this.madEnd)); var doCap0 = (i == this.iPrev || !this.bsVisible.get (this.iPrev) || thisTypeOnly && this.structureTypes[i] !== this.structureTypes[this.iPrev]); -var doCap1 = (this.iNext == this.iNext2 || !this.bsVisible.get (this.iNext) || thisTypeOnly && this.structureTypes[i] !== this.structureTypes[this.iNext]); +var doCap1 = (this.iNext == this.iNext2 || this.iNext2 == this.iNext3 || !this.bsVisible.get (this.iNext) || thisTypeOnly && this.structureTypes[i] !== this.structureTypes[this.iNext]); return (this.aspectRatio > 0 && this.meshRenderer != null && this.meshRenderer.check (doCap0, doCap1)); }, "~N,~B"); Clazz_defineMethod (c$, "renderHermiteCylinder", @@ -6909,7 +6940,7 @@ if (this.nucleicRenderer == null) this.nucleicRenderer = J.api.Interface.getInte this.calcScreenControlPoints (); this.nucleicRenderer.renderNucleic (this); return; -}var val = this.vwr.getBoolean (603979820); +}var val = this.vwr.getBoolean (603979819); if (this.helixRockets != val) { bioShape.falsifyMesh (); this.helixRockets = val; diff --git a/qmpy/web/static/js/jsmol/j2s/core/corebio.z.js b/qmpy/web/static/js/jsmol/j2s/core/corebio.z.js index c1f9b072..ae8aa1af 100644 --- a/qmpy/web/static/js/jsmol/j2s/core/corebio.z.js +++ b/qmpy/web/static/js/jsmol/j2s/core/corebio.z.js @@ -1,31 +1,31 @@ -(function(V,W,X,Y,E,Z,m,r,q,s,v,C,$,y,K,M,u,B,G,A,N,H,F,aa,Q,R,O,ba,ca,da,D,ea,P,S,fa,T,L,ga,ha,I,ia,U,ja,ka,la,ma,na,oa,pa,qa,ra,sa,ta,ua,va,wa,xa,ya,e,j){m("J.adapter.readers.pdb");q(["J.adapter.smarter.AtomSetCollectionReader","java.util.Hashtable"],"J.adapter.readers.pdb.PdbReader","java.lang.Boolean $.Float JU.Lst $.M4 $.P3 $.PT $.SB J.adapter.smarter.Atom $.Structure J.api.JmolAdapter J.c.STR JU.Escape $.Logger".split(" "),function(){c$=v(function(){this.lineLength=this.serial=this.seqMode= +(function(V,W,X,Y,E,Z,m,r,q,u,v,C,$,z,K,M,s,A,G,B,N,H,F,aa,Q,R,O,ba,ca,da,D,ea,P,S,fa,T,L,ga,ha,I,ia,U,ja,ka,la,ma,na,oa,pa,qa,ra,sa,ta,ua,va,wa,xa,ya,e,j){m("J.adapter.readers.pdb");q(["J.adapter.smarter.AtomSetCollectionReader","java.util.Hashtable"],"J.adapter.readers.pdb.PdbReader","java.lang.Boolean $.Float JU.Lst $.M4 $.P3 $.PT $.SB J.adapter.smarter.Atom $.Structure J.api.JmolAdapter J.c.STR JU.Escape $.Logger".split(" "),function(){c$=v(function(){this.lineLength=this.serial=this.seqMode= this.serMode=0;this.pdbHeader=null;this.gromacsWideFormat=this.isLegacyModelType=this.isConnectStateBug=this.haveMappedSerials=this.isMultiModel=this.getTlsGroups=this.applySymmetry=!1;this.sb=this.sbConect=this.sbSelected=this.sbIgnored=this.biomtChainAtomCounts=this.sbTlsErrors=this.vTlsModels=this.vBiomolecules=this.vCompnds=this.htMolIds=this.htElementsInCurrentGroup=this.htSites=this.htHetero=this.htFormul=null;this.nRes=this.nUNK=this.maxSerial=this.ac=0;this.currentKey=this.currentGroup3=this.currentCompnd= null;this.configurationPtr=this.currentResno=-2147483648;this.resetKey=!0;this.$compnd=null;this.fileAtomIndex=this.conformationIndex=0;this.lastAltLoc="\x00";this.lastGroup=-2147483648;this.lastInsertion="\x00";this.lastTargetSerial=this.lastSourceSerial=-2147483648;this.atomTypeLen=this.atomTypePt0=this.tlsGroupID=0;this.isbiomol=this.isCourseGrained=!1;this.htGroup1=null;this.maxLength=80;this.pdbID=null;this.haveDoubleBonds=!1;this.$cryst1=0;this.vConnect=this.tlsU=this.dataT=this.fileSgName= -null;this.connectNextAtomSet=this.connectNextAtomIndex=0;this.connectLast=null;s(this,arguments)},J.adapter.readers.pdb,"PdbReader",J.adapter.smarter.AtomSetCollectionReader);N(c$,function(){this.htFormul=new java.util.Hashtable;this.dataT=G(8,0)});j(c$,"initializeReader",function(){this.allowPDBFilter=!0;this.pdbHeader=this.getHeader?new JU.SB:null;this.applySymmetry=!this.checkFilterKey("NOSYMMETRY");this.isDSSP1&&this.asc.setInfo("isDSSP1",Boolean.TRUE);this.getTlsGroups=this.checkFilterKey("TLS"); +null;this.connectNextAtomSet=this.connectNextAtomIndex=0;this.connectLast=null;u(this,arguments)},J.adapter.readers.pdb,"PdbReader",J.adapter.smarter.AtomSetCollectionReader);N(c$,function(){this.htFormul=new java.util.Hashtable;this.dataT=G(8,0)});j(c$,"initializeReader",function(){this.allowPDBFilter=!0;this.pdbHeader=this.getHeader?new JU.SB:null;this.applySymmetry=!this.checkFilterKey("NOSYMMETRY");this.isDSSP1&&this.asc.setInfo("isDSSP1",Boolean.TRUE);this.getTlsGroups=this.checkFilterKey("TLS"); this.checkFilterKey("ASSEMBLY")&&(this.filter=JU.PT.rep(this.filter,"ASSEMBLY","BIOMOLECULE"));if(this.isbiomol=this.checkFilterKey("BIOMOLECULE"))this.filter=this.filter.$replace(":"," ");var a=this.isbiomol&&this.checkFilterKey("BYCHAIN"),b=this.isbiomol&&this.checkFilterKey("BYSYMOP");(this.isCourseGrained=a||b)||this.setIsPDB();this.isConcatenated=(new Boolean(this.isConcatenated|this.filePath.endsWith(".dssr"))).valueOf();this.htParams.containsKey("vTlsModels")&&(this.vTlsModels=this.htParams.remove("vTlsModels")); a=this.getFilter("TYPE ");null!=a&&(a=JU.PT.getTokens(a.$replace(","," ")),this.atomTypePt0=Integer.parseInt(a[0])-1,b=a[1].indexOf("="),0<=b?this.setFilterAtomTypeStr(a[1].substring(b+1).toUpperCase()):b=a[1].length,this.atomTypeLen=Integer.parseInt(a[1].substring(0,b)));a=this.getFilter("CONF ");null!=a&&(this.configurationPtr=this.parseIntStr(a),this.sbIgnored=new JU.SB,this.sbSelected=new JU.SB);this.isLegacyModelType=12E4>this.stateScriptVersionInt;this.isConnectStateBug=120151<=this.stateScriptVersionInt&& 120220>=this.stateScriptVersionInt||120300<=this.stateScriptVersionInt&&120320>=this.stateScriptVersionInt});j(c$,"checkLine",function(){var a=(6>(this.lineLength=this.line.length)?-1:"ATOM HETATM MODEL CONECT HELIX SHEET TURN HET HETNAM ANISOU SITE CRYST1 SCALE1 SCALE2 SCALE3 EXPDTA FORMUL REMARK HEADER COMPND SOURCE TITLE SEQADV ".indexOf(this.line.substring(0,6)))>>3,b=0==a||1==a,c=2==a;this.serial=b?this.getSerial(6,11):0;var d=(this.isTrajectory||this.isSequential)&& -!this.isMultiModel&&b&&1==this.serial;this.getHeader&&(b||c?this.getHeader=!1:this.readHeader(!1));if(c||d){this.isMultiModel=c;this.getHeader=!1;c=d?this.modelNumber+1:this.getModelNumber();this.modelNumber=this.useFileModelNumbers?c:this.modelNumber+1;if(!this.doGetModel(this.modelNumber,null))return this.handleTlsMissingModels(),a=this.checkLastModel(),!a&&this.isConcatenated&&(a=this.continuing=!0),a;this.isCourseGrained||this.connectAll(this.maxSerial,this.isConnectStateBug);0g||Float.isNaN(g)){c=!0;break}}}JU.Logger.info("TLS analysis suggests Bfactors are "+(c?"":"NOT")+" residuals");for(var h,b=this.tlsU.entrySet().iterator();b.hasNext()&&((h=b.next())||1);)f=h.getValue(),g=f[7],0!=g&&(c||(g-=(f[0]+f[1]+ -f[2])/3),f[0]+=g,f[1]+=g,f[2]+=g,h.getKey().addTensor(a.getTensor(this.vwr,f).setType(null),"TLS-R",!1),JU.Logger.info("TLS-U: "+JU.Escape.eAF(f)),f=h.getKey().anisoBorU,null!=f&&JU.Logger.info("ANISOU: "+JU.Escape.eAF(f)));this.tlsU=null},"J.api.SymmetryInterface");e(c$,"header",function(){8>this.lineLength||(this.appendLoadNote(this.line.substring(7).trim()),80==this.lineLength&&(this.maxLength=72),this.pdbID=66<=this.lineLength?this.line.substring(62,66).trim():"",4==this.pdbID.length&&(this.asc.setCollectionName(this.pdbID), -this.asc.setInfo("havePDBHeaderName",Boolean.TRUE)),50c||0this.line.indexOf("BIOMT")&&7==this.line.indexOf("350");)d+=":"+this.line.substring(11).trim().$replace(",",";").$replace(" ",":");d+=";";if(this.checkFilterKey("BIOMOLECULE "+f+";")||this.checkFilterKey("BIOMOLECULE="+f+";"))this.setFilter(this.filter+d),JU.Logger.info('filter set to "'+this.filter+'"'),this.thisBiomolecule=h}else if(this.line.startsWith("REMARK 350 BIOMT1 ")){e++;for(var n=G(16,0),p=0;12>p;){var j=this.getTokens();n[p++]=this.parseFloatStr(j[4]); -n[p++]=this.parseFloatStr(j[5]);n[p++]=this.parseFloatStr(j[6]);n[p++]=this.parseFloatStr(j[7]);(4==p||8==p)&&this.readHeader(!0)}n[15]=1;var w=new JU.M4;w.setA(n);w.equals(k)?(a.add(0,w),b.add(0,d)):(a.addLast(w),b.addLast(d))}}catch(x){if(M(x,Exception))return this.vBiomolecules=this.thisBiomolecule=null,!1;throw x;}}0a.length)break;(this.doApplySymmetry||this.isbiomol)&&this.setSymmetryOperator(a[3])}return!1});e(c$,"getSerial",function(a,b){var c=this.line.charAt(a),d=" "==c||" "==this.line.charAt(b-1);switch(this.serMode){default:case 0:if(d)return this.parseIntRange(this.line,a,b);try{return this.serial=Integer.parseInt(this.line.substring(a,b))}catch(f){if(M(f,Exception))return this.serMode=JU.PT.isDigit(c)? -1:2,this.getSerial(a,b);throw f;}case 2:return d||JU.PT.isDigit(c)?this.parseIntRange(this.line,a,b):JU.PT.parseIntRadix(this.line.substring(a,b),36)+(JU.PT.isUpperCase(c)?-16696160:26973856);case 1:if(!d)return this.serial=JU.PT.parseIntRadix(this.line.substring(a,b),16);this.serMode=0;return this.getSerial(a,b)}},"~N,~N");e(c$,"getSeqNo",function(a,b){var c=this.line.charAt(a),d=" "==c||" "==this.line.charAt(b-1);switch(this.seqMode){default:case 0:if(d)return this.parseIntRange(this.line,a,b); -try{return Integer.parseInt(this.line.substring(a,b))}catch(f){if(M(f,Exception))return this.seqMode=JU.PT.isDigit(c)?1:2,this.getSeqNo(a,b);throw f;}case 2:return d||JU.PT.isDigit(c)?this.parseIntRange(this.line,a,b):JU.PT.parseIntRadix(this.line.substring(a,b),36)+(JU.PT.isUpperCase(c)?-456560:756496);case 1:if(!d)return JU.PT.parseIntRadix(this.line.substring(a,b),16);this.seqMode=0;return this.getSeqNo(a,b)}},"~N,~N");e(c$,"processAtom",function(a,b,c,d,f,g,h,e,k){a.atomName=b;" "!=c&&(a.altLoc= +!this.isMultiModel&&b&&1==this.serial;this.getHeader&&(b||c?this.getHeader=!1:this.readHeader(!1));if(c||d){this.isMultiModel=c;this.getHeader=!1;c=d?this.modelNumber+1:this.getModelNumber();d=this.getModelName();this.modelNumber=this.useFileModelNumbers?c:this.modelNumber+1;if(!this.doGetModel(this.modelNumber,null))return this.handleTlsMissingModels(),a=this.checkLastModel(),!a&&this.isConcatenated&&(a=this.continuing=!0),a;this.isCourseGrained||this.connectAll(this.maxSerial,this.isConnectStateBug); +0g||Float.isNaN(g)){c=!0;break}}}JU.Logger.info("TLS analysis suggests Bfactors are "+(c?"":"NOT")+" residuals");for(var h,b=this.tlsU.entrySet().iterator();b.hasNext()&& +((h=b.next())||1);)f=h.getValue(),g=f[7],0!=g&&(c||(g-=(f[0]+f[1]+f[2])/3),f[0]+=g,f[1]+=g,f[2]+=g,h.getKey().addTensor(a.getTensor(this.vwr,f).setType(null),"TLS-R",!1),JU.Logger.info("TLS-U: "+JU.Escape.eAF(f)),f=h.getKey().anisoBorU,null!=f&&JU.Logger.info("ANISOU: "+JU.Escape.eAF(f)));this.tlsU=null},"J.api.SymmetryInterface");e(c$,"header",function(){8>this.lineLength||(this.appendLoadNote(this.line.substring(7).trim()),80==this.lineLength&&(this.maxLength=72),this.pdbID=66<=this.lineLength? +this.line.substring(62,66).trim():"",4==this.pdbID.length&&(this.asc.setCollectionName(this.pdbID),this.asc.setInfo("havePDBHeaderName",Boolean.TRUE)),50c||0this.line.indexOf("BIOMT")&&7==this.line.indexOf("350");)d+=":"+this.line.substring(11).trim().$replace(",",";").$replace(" ",":");d+=";";if(this.checkFilterKey("BIOMOLECULE "+f+";")||this.checkFilterKey("BIOMOLECULE="+f+";"))this.setFilter(this.filter+d),JU.Logger.info('filter set to "'+this.filter+'"'),this.thisBiomolecule=h}else if(this.line.startsWith("REMARK 350 BIOMT1 ")){e++;for(var p=G(16,0),n=0;12> +n;){var j=this.getTokens();p[n++]=this.parseFloatStr(j[4]);p[n++]=this.parseFloatStr(j[5]);p[n++]=this.parseFloatStr(j[6]);p[n++]=this.parseFloatStr(j[7]);(4==n||8==n)&&this.readHeader(!0)}p[15]=1;var w=new JU.M4;w.setA(p);w.equals(k)?(a.add(0,w),b.add(0,d)):(a.addLast(w),b.addLast(d))}}catch(x){if(M(x,Exception))return this.vBiomolecules=this.thisBiomolecule=null,!1;throw x;}}0a.length)break;(this.doApplySymmetry||this.isbiomol)&&this.setSymmetryOperator(a[3])}return!1});e(c$,"getSerial",function(a,b){var c=this.line.charAt(a),d=" "==c||" "==this.line.charAt(b-1);switch(this.serMode){default:case 0:if(d)return this.parseIntRange(this.line,a,b);try{return this.serial=Integer.parseInt(this.line.substring(a, +b))}catch(f){if(M(f,Exception))return this.serMode=JU.PT.isDigit(c)?1:2,this.getSerial(a,b);throw f;}case 2:return d||JU.PT.isDigit(c)?this.parseIntRange(this.line,a,b):JU.PT.parseIntRadix(this.line.substring(a,b),36)+(JU.PT.isUpperCase(c)?-16696160:26973856);case 1:if(!d)return this.serial=JU.PT.parseIntRadix(this.line.substring(a,b),16);this.serMode=0;return this.getSerial(a,b)}},"~N,~N");e(c$,"getSeqNo",function(a,b){var c=this.line.charAt(a),d=" "==c||" "==this.line.charAt(b-1);switch(this.seqMode){default:case 0:if(d)return this.parseIntRange(this.line, +a,b);try{return Integer.parseInt(this.line.substring(a,b))}catch(f){if(M(f,Exception))return this.seqMode=JU.PT.isDigit(c)?1:2,this.getSeqNo(a,b);throw f;}case 2:return d||JU.PT.isDigit(c)?this.parseIntRange(this.line,a,b):JU.PT.parseIntRadix(this.line.substring(a,b),36)+(JU.PT.isUpperCase(c)?-456560:756496);case 1:if(!d)return JU.PT.parseIntRadix(this.line.substring(a,b),16);this.seqMode=0;return this.getSeqNo(a,b)}},"~N,~N");e(c$,"processAtom",function(a,b,c,d,f,g,h,e,k){a.atomName=b;" "!=c&&(a.altLoc= c);a.group3=null==d?"UNK":d;a.chainID=f;null!=this.biomtChainAtomCounts&&this.biomtChainAtomCounts[f%256]++;a.sequenceNumber=g;a.insertionCode=J.api.JmolAdapter.canonizeInsertionCode(h);a.isHetero=e;a.elementSymbol=k;return a},"J.adapter.smarter.Atom,~S,~S,~S,~N,~N,~S,~B,~S");e(c$,"processAtom2",function(a,b,c,d,f,g){a.atomSerial=b;b>this.maxSerial&&(this.maxSerial=b);if(null==a.group3)null!=this.currentGroup3&&(this.currentGroup3=null,this.currentResno=-2147483648,this.htElementsInCurrentGroup=null); else if(!a.group3.equals(this.currentGroup3)||a.sequenceNumber!=this.currentResno)this.currentGroup3=a.group3,this.currentResno=a.sequenceNumber,this.htElementsInCurrentGroup=this.htFormul.get(a.group3),this.nRes++,a.group3.equals("UNK")&&this.nUNK++;this.setAtomCoordXYZ(a,c,d,f);a.formalCharge=g;this.setAdditionalAtomParameters(a);this.haveMappedSerials?this.asc.addAtomWithMappedSerialNumber(a):this.asc.addAtom(a);0==this.ac++&&!this.isCourseGrained&&this.setModelPDB(!0);a.isHetero&&null!=this.htHetero&& (this.asc.setCurrentModelInfo("hetNames",this.htHetero),this.htHetero=null)},"J.adapter.smarter.Atom,~N,~N,~N,~N,~N");e(c$,"atom",function(){var a=this.line.startsWith("HETATM"),a=this.processAtom(new J.adapter.smarter.Atom,this.line.substring(12,16).trim(),this.line.charAt(16),this.parseTokenRange(this.line,17,20),this.vwr.getChainID(this.line.substring(21,22),!0),this.getSeqNo(22,26),this.line.charAt(26),a,this.deduceElementSymbol(a));if(0a)){var b=1,c=this.line.trim().length;56f)){var g=a==this.lastSourceSerial&&f==this.lastTargetSerial;g&&(this.haveDoubleBonds=!0);this.lastSourceSerial=a;this.lastTargetSerial=f;var h;ff)){var g=a==this.lastSourceSerial&&f==this.lastTargetSerial;g&&(this.haveDoubleBonds=!0);this.lastSourceSerial=a;this.lastTargetSerial=f;var h;fg+4&&(p=this.line.charAt(g+4));b===J.c.STR.NONE&&(b=a);a=new J.adapter.smarter.Structure(-1,a,b,e,k,h,null);a.set(c,l,d,f,n,p,-2147483648,2147483647);this.asc.addStructure(a)}});e(c$,"getModelNumber",function(){var a=14;a>this.lineLength&&(a=this.lineLength);a=this.parseIntRange(this.line, -6,a);return-2147483648==a?0:a});e(c$,"model",function(a){this.checkNotPDB();this.haveMappedSerials=!1;this.sbConect=null;this.asc.newAtomSet();this.asc.setCurrentModelInfo("pdbID",this.pdbID);0==this.asc.iSet||this.isTrajectory?this.asc.setAtomSetName(this.pdbID):this.asc.setCurrentModelInfo("name",this.pdbID);this.checkUnitCellParams();this.isCourseGrained||this.setModelPDB(!0);this.asc.setCurrentAtomSetNumber(a);this.isCourseGrained&&this.asc.setCurrentModelInfo("courseGrained",Boolean.TRUE)},"~N"); -e(c$,"checkNotPDB",function(){var a=!this.isCourseGrained&&(0==this.nRes||this.nUNK!=this.nRes);this.asc.checkSpecial=!a;this.setModelPDB(a);this.nUNK=this.nRes=0;this.currentGroup3=null});e(c$,"cryst1",function(){var a=this.$cryst1=this.getFloat(6,9);1==a&&(a=NaN);this.setUnitCell(a,this.getFloat(15,9),this.getFloat(24,9),this.getFloat(33,7),this.getFloat(40,7),this.getFloat(47,7));this.isbiomol&&(this.doConvertToFractional=!1);(null==this.sgName||this.sgName.equals("unspecified!"))&&this.setSpaceGroupName(JU.PT.parseTrimmedRange(this.line, -55,66));this.fileSgName=this.sgName});e(c$,"getFloat",function(a,b){return this.parseFloatRange(this.line,a,a+b)},"~N,~N");e(c$,"scale",function(a){null!=this.unitCellParams&&(a=4*a+2,this.unitCellParams[0]=this.$cryst1,this.setUnitCellItem(a++,this.getFloat(10,10)),this.setUnitCellItem(a++,this.getFloat(20,10)),this.setUnitCellItem(a++,this.getFloat(30,10)),this.setUnitCellItem(a++,this.getFloat(45,10)),this.isbiomol&&(this.doConvertToFractional=!1))},"~N");e(c$,"expdta",function(){0<=this.line.toUpperCase().indexOf("NMR")&& -this.asc.setInfo("isNMRdata","true")});e(c$,"formul",function(){var a=this.parseTokenRange(this.line,12,15),b=JU.PT.parseTrimmedRange(this.line,19,70),c=b.indexOf("(");if(0<=c){var d=b.indexOf(")");if(0>d||c>=d||c+1==d)return;b=JU.PT.parseTrimmedRange(b,c+1,d)}c=this.htFormul.get(a);null==c&&this.htFormul.put(a,c=new java.util.Hashtable);for(this.next[0]=0;null!=(d=this.parseTokenNext(b));)2>d.length||(a=d.charAt(0),d=d.charAt(1),J.adapter.smarter.Atom.isValidSymNoCase(a,d)?c.put(""+a+d,Boolean.TRUE): -J.adapter.smarter.Atom.isValidSym1(a)&&c.put(""+a,Boolean.TRUE))});e(c$,"het",function(){if(!(30>this.line.length)){null==this.htHetero&&(this.htHetero=new java.util.Hashtable);var a=this.parseTokenRange(this.line,7,10);if(!this.htHetero.containsKey(a)){var b=JU.PT.parseTrimmedRange(this.line,30,70);this.htHetero.put(a,b)}}});e(c$,"hetnam",function(){null==this.htHetero&&(this.htHetero=new java.util.Hashtable);var a=this.parseTokenRange(this.line,11,14),b=JU.PT.parseTrimmedRange(this.line,15,70); -if(null==a)JU.Logger.error("ERROR: HETNAM record does not contain a group name: "+this.line);else{var c=this.htHetero.get(a);null!=c&&(b=c+b);this.htHetero.put(a,b);this.appendLoadNote(a+" = "+b)}});e(c$,"anisou",function(){var a=G(8,0);a[6]=1;var b=this.line.substring(6,11).trim();if(!this.haveMappedSerials&&0c;c+=7,d++)a[d]=this.parseFloatRange(this.line,c,c+7);for(c=0;6>c;c++){if(Float.isNaN(a[c])){JU.Logger.error("Bad ANISOU record: "+this.line);return}a[c]/=1E4}this.asc.setAnisoBorU(b,a,12)}});e(c$,"site",function(){null==this.htSites&&(this.htSites=new java.util.Hashtable);var a=this.parseIntRange(this.line,15,17),b=JU.PT.parseTrimmedRange(this.line,11,14),c=this.htSites.get(b);null==c&&(c=new java.util.Hashtable,c.put("nResidues",Integer.$valueOf(a)), -c.put("groups",""),this.htSites.put(b,c));a=c.get("groups");for(b=0;4>b;b++){var d=18+11*b,f=JU.PT.parseTrimmedRange(this.line,d,d+3);if(0==f.length)break;var g=JU.PT.parseTrimmedRange(this.line,d+4,d+5),h=JU.PT.parseTrimmedRange(this.line,d+5,d+9),d=JU.PT.parseTrimmedRange(this.line,d+9,d+10),a=a+((0==a.length?"":",")+"["+f+"]"+h);0k.length))if(JU.Logger.info(this.line),k[1].equalsIgnoreCase("GROUP"))f=new java.util.Hashtable,g=new JU.Lst,f.put("ranges",g),d.addLast(f),this.tlsGroupID=this.parseIntStr(k[k.length-1]),f.put("id",Integer.$valueOf(this.tlsGroupID));else if(k[0].equalsIgnoreCase("NUMBER")){if(!k[2].equalsIgnoreCase("COMPONENTS")){a=this.parseIntStr(k[k.length-1]);if(1>a)break;null== -this.vTlsModels&&(this.vTlsModels=new JU.Lst);d=new JU.Lst;this.appendLoadNote(this.line.substring(11).trim())}}else if(k[0].equalsIgnoreCase("COMPONENTS"))c=this.line;else if(k[0].equalsIgnoreCase("RESIDUE")){var h=new java.util.Hashtable,l,n,p,j;if(6==k.length)l=k[2].charAt(0),n=k[4].charAt(0),p=this.parseIntStr(k[3]),j=this.parseIntStr(k[5]);else{var w=c.indexOf(" C "),x=c.indexOf(" C ",w+4);l=this.line.charAt(x);n=this.line.charAt(w);p=this.parseIntRange(this.line,x+1,w);j=this.parseIntStr(this.line.substring(w+ -1))}l==n?(h.put("chains",""+l+n),p<=j?(h.put("residues",u(-1,[p,j])),g.addLast(h)):this.tlsAddError(" TLS group residues are not in order (range ignored)")):this.tlsAddError(" TLS group chains are different (range ignored)")}else if(k[0].equalsIgnoreCase("SELECTION"))for(var t="\x00",m=1;mm;m++)for(t=0;3>t;t++)Float.isNaN(y[m][t])&&this.tlsAddError("invalid tensor: "+JU.Escape.escapeFloatAA(y,!1));if("S"==v&&++b==a){JU.Logger.info(a+" TLS groups read"); -this.readHeader(!0);break}}}catch(C){if(M(C,Exception)){JU.Logger.error(this.line+"\nError in TLS parser: ");System.out.println(C.getMessage());d=null;break}else throw C;}null!=d&&(b=new java.util.Hashtable,b.put("groupCount",Integer.$valueOf(a)),b.put("groups",d),this.vTlsModels.addLast(b));return 1>a});e(c$,"handleTlsMissingModels",function(){this.vTlsModels=null});e(c$,"setTlsGroups",function(a,b,c){JU.Logger.info("TLS model "+(b+1)+" set "+(a+1));a=this.vTlsModels.get(a);for(var d=a.get("groups"), -f=this.asc.getAtomSetAtomIndex(b),g=G(this.asc.getAtomSetAtomCount(b),0),h=f+g.length,e=this.asc.atoms,k=d.size(),l=0;lr){JU.Logger.info("TLS processing terminated");return}JU.Logger.info("TLS ID="+ -this.tlsGroupID+" model atom index range "+q+"-"+r);q=t==w;for(r=f;r=m&&s.sequenceNumber<=x:s.chainID>t&&s.chainID=m||s.chainID==w&&s.sequenceNumber<=x)g[r-f]=this.tlsGroupID,this.setTlsTensor(s,n,c)}}}this.asc.setAtomProperties("tlsGroup",g,b,!0);this.asc.setModelInfoForSet("TLS",a,b);this.asc.setTensors()},"~N,~N,J.api.SymmetryInterface");e(c$,"findAtomForRange",function(a,b,c,d,f){a=this.findAtom(a,b,c,d,!0);return f&& -0<=a?this.findAtom(a,b,c,d,!1):a},"~N,~N,~N,~N,~B");e(c$,"findAtom",function(a,b,c,d,f){for(var g=this.asc.atoms;aa?1:a},"~N");e(c$,"addConnection",function(a){null==this.vConnect&&(this.connectLast=null,this.vConnect=new JU.Lst);null!=this.connectLast&&a[0]==this.connectLast[0]&& -a[1]==this.connectLast[1]&&2048!=a[2]?this.connectLast[2]++:this.vConnect.addLast(this.connectLast=a)},"~A");e(c$,"connectAllBad",function(a){for(var b=this.connectNextAtomIndex,c=this.connectNextAtomSet;cd))if(b)this.connectAllBad(a);else if(c.setCurrentModelInfo("PDB_CONECT_firstAtom_count_max",u(-1,[c.getAtomSetAtomIndex(d),c.getAtomSetAtomCount(d),a])),null!=this.vConnect){for(var f=this.connectNextAtomIndex,g=c.atomSetCount;--g>=this.connectNextAtomSet;)c.setModelInfoForSet("PDB_CONECT_bonds",this.vConnect,g),c.setGlobalBoolean(3),f+=c.getAtomSetAtomCount(g);this.vConnect=null;this.connectNextAtomSet= -d+1;this.connectNextAtomIndex=f}},"~N,~B");B(c$,"MODE_PDB",0,"MODE_HEX",1,"MODE_HYBRID36",2,"lineOptions","ATOM HETATM MODEL CONECT HELIX SHEET TURN HET HETNAM ANISOU SITE CRYST1 SCALE1 SCALE2 SCALE3 EXPDTA FORMUL REMARK HEADER COMPND SOURCE TITLE SEQADV ","RAD_PER_DEG",0.017453292519943295,"_8PI2_",78.95683520871486)});m("J.adapter.smarter");q(null,"J.adapter.smarter.Structure",["J.c.STR"],function(){c$=v(function(){this.structureID=this.substructureType=this.structureType= -null;this.startChainID=this.startSequenceNumber=this.strandCount=this.serialID=0;this.startChainStr=null;this.startInsertionCode="\x00";this.endChainID=this.endSequenceNumber=0;this.endChainStr=null;this.endInsertionCode="\x00";this.bsAll=this.modelStartEnd=this.atomStartEnd=null;s(this,arguments)},J.adapter.smarter,"Structure");N(c$,function(){this.atomStartEnd=u(2,0);this.modelStartEnd=u(-1,[-1,-1])});c$.getHelixType=e(c$,"getHelixType",function(a){switch(a){case 1:return J.c.STR.HELIXALPHA;case 3:return J.c.STR.HELIXPI; -case 5:return J.c.STR.HELIX310}return J.c.STR.HELIX},"~N");y(c$,function(a,b,c,d,f,g,h){null!=h?(this.modelStartEnd=u(-1,[0,a]),this.bsAll=h):(this.structureType=b,this.substructureType=c,null!=d&&(this.modelStartEnd[0]=this.modelStartEnd[1]=a,this.structureID=d,this.strandCount=g,this.serialID=f))},"~N,J.c.STR,J.c.STR,~S,~N,~N,~A");e(c$,"set",function(a,b,c,d,f,g,h,e){this.startChainID=a;this.startSequenceNumber=b;this.startInsertionCode=c;this.endChainID=d;this.endSequenceNumber=f;this.endInsertionCode= -g;this.atomStartEnd[0]=h;this.atomStartEnd[1]=e},"~N,~N,~S,~N,~N,~S,~N,~N")});m("JM");q(["JM.Group"],"JM.Monomer","java.lang.Float JU.Measure $.P3 $.Quat J.c.STR JM.BioResolver $.ProteinStructure JU.Escape $.Logger JV.JC".split(" "),function(){c$=v(function(){this.offsets=this.bioPolymer=null;this.monomerIndex=-1;this.theta=this.mu=this.straightness=this.omega=this.psi=this.phi=NaN;this.backboneBlockVis=!1;s(this,arguments)},JM,"Monomer",JM.Group);y(c$,function(){H(this,JM.Monomer,[])});c$.have=e(c$, -"have",function(a,b){return 255!=(a[b]&255)},"~A,~N");e(c$,"set2",function(a,b,c,d,f,g){this.setGroup(a,b,c,d,f);this.offsets=g;this.setLeadAtomIndex();return this},"JM.Chain,~S,~N,~N,~N,~A");e(c$,"setLeadAtomIndex",function(){var a=this.offsets[0]&255;255!=a&&(this.leadAtomIndex=this.firstAtomIndex+a)});e(c$,"setBioPolymer",function(a,b){this.bioPolymer=a;this.monomerIndex=b},"JM.BioPolymer,~N");j(c$,"getSelectedMonomerCount",function(){return null==this.bioPolymer?0:this.bioPolymer.getSelectedMonomerCount()}); -j(c$,"getSelectedMonomerIndex",function(){return null==this.bioPolymer||!this.bioPolymer.isMonomerSelected(this.monomerIndex)?-1:this.monomerIndex});j(c$,"getBioPolymerLength",function(){return null==this.bioPolymer?0:this.bioPolymer.monomerCount});e(c$,"getMonomerIndex",function(){return this.monomerIndex});j(c$,"getAtomIndex",function(a,b){if(null!=this.bioPolymer){var c=this.bioPolymer.monomers,d=this.monomerIndex+b;if(0<=d&&dh)g=b[~h];else if(g=b[h],0>g)return null;var e;if(0>g)e=255;else if(e=g-a,0>e||254h&&(e=255);f[d]=e}return f},"~N,~A,~A");j(c$,"getProteinStructureType",function(){return J.c.STR.NONE});e(c$,"isHelix",function(){return!1});e(c$,"isSheet",function(){return!1});j(c$,"setStrucNo",function(){},"~N");e(c$,"getAtomFromOffsetIndex",function(a){if(a>this.offsets.length)return null;a=this.offsets[a]&255;return 255==a?null:this.chain.model.ms.at[this.firstAtomIndex+ -a]},"~N");e(c$,"getSpecialAtom",function(a,b){for(var c=a.length;0<=--c;){var d=a[c];0>d&&(d=-d);if(b==d)return c=this.offsets[c]&255,255==c?null:this.chain.model.ms.at[this.firstAtomIndex+c]}return null},"~A,~N");e(c$,"getSpecialAtomPoint",function(a,b){for(var c=a.length;0<=--c;){var d=a[c];0>d&&(d=-d);if(b==d)return c=this.offsets[c]&255,255==c?null:this.chain.model.ms.at[this.firstAtomIndex+c]}return null},"~A,~N");j(c$,"isLeadAtom",function(a){return a==this.leadAtomIndex},"~N");j(c$,"getLeadAtom", -function(){return this.getAtomFromOffsetIndex(0)});e(c$,"getWingAtom",function(){return this.getAtomFromOffsetIndex(1)});e(c$,"getInitiatorAtom",function(){return this.getLeadAtom()});e(c$,"getTerminatorAtom",function(){return this.getLeadAtom()});e(c$,"findNearestAtomIndex",function(){},"~N,~N,~A,~N,~N");e(c$,"getMyInfo",function(a){a=this.getGroupInfo(this.groupIndex,a);a.put("chain",this.chain.getIDStr());var b=this.getResno();0this.lastAtomIndex&&(k-=h+1);var l=k-this.firstAtomIndex;if(!(0>l||255d)return!1; -a[b]=d-c;return!0},"~A,~N,~N,~N");e(c$,"getQuaternionFrameCenter",function(){return null},"~S");e(c$,"getHelixData2",function(a,b,c){if(0>this.monomerIndex)return null;var d=this.monomerIndex-c,f=1>c||0>=this.monomerIndex?null:this.bioPolymer.monomers[d],d=this.getQuaternion(b),g=1>c?JU.Quat.getQuaternionFrameV(JV.JC.axisX,JV.JC.axisY,JV.JC.axisZ,!1):null==f?null:f.getQuaternion(b);if(null==g||null==d)return this.getHelixData(a,b,c);var f=1>c?JU.P3.new3(0,0,0):f.getQuaternionFrameCenter(b),h=this.getQuaternionFrameCenter(b); -return null==f||null==h?this.getHelixData(a,b,c):JU.Escape.escapeHelical(135176==a?"helixaxis"+this.getUniqueID():null,a,f,h,JU.Measure.computeHelicalAxis(f,h,d.div(g)))},"~N,~S,~N");e(c$,"getUniqueID",function(){var a=this.chain.chainID,b=this.getLeadAtom(),a=(null==b?"":"_"+b.mi)+"_"+this.getResno()+(0==a?"":"_"+a),b=null==b?"\x00":this.getLeadAtom().altloc;"\x00"!=b&&(a+="_"+b);return a});j(c$,"isCrossLinked",function(a){for(var b=this.firstAtomIndex;b<=this.lastAtomIndex;b++)if(this.getCrossLinkGroup(b, -null,a,!0,!0,!1))return!0;return!1},"JM.Group");j(c$,"getCrossLinkVector",function(a,b,c){for(var d=null==a,f=this.firstAtomIndex;f<=this.lastAtomIndex;f++)if(this.getCrossLinkGroup(f,a,null,b,c,d)&&d)return!0;return!d&&0k||null==e)return!1;var l=!1;g=!g&&null==b&&null==c;for(var n=0;nthis.monomerIndex+1)){l=!0;if(null!=c||null==b)break;b.addLast(Integer.$valueOf(a));b.addLast(Integer.$valueOf(p.i));b.addLast(Integer.$valueOf(j.leadAtomIndex))}}}}return l},"~N,JU.Lst,JM.Group,~B,~B,~B");e(c$,"isConnectedPrevious",function(){return!0});e(c$,"setGroupParameter",function(a,b){switch(a){case 1111490569:this.phi= -b;break;case 1111490570:this.psi=b;break;case 1111490568:this.omega=b;break;case 1111490565:this.mu=b;break;case 1111490576:this.theta=b;break;case 1111490574:this.straightness=b}},"~N,~N");j(c$,"getGroupParameter",function(a){if(null==this.bioPolymer)return 0;this.bioPolymer.haveParameters||this.bioPolymer.calcParameters();switch(a){case 1094713361:return 1;case 1111490568:return this.omega;case 1111490569:return this.phi;case 1111490570:return this.psi;case 1111490565:return this.mu;case 1111490576:return this.theta; -case 1111490574:return this.straightness}return NaN},"~N");j(c$,"getGroup1",function(){return this.groupIDb||0=b.distance(a)},"JM.Monomer");j(c$,"getQuaternionFrameCenter",function(a){return this.getQuaternionFrameCenterAlpha(a)},"~S");j(c$,"isWithinStructure",function(a){return null!=this.proteinStructure&&this.proteinStructure.type===a&&this.proteinStructure.isWithin(this.monomerIndex)},"J.c.STR"); -e(c$,"getQuaternionFrameCenterAlpha",function(a){switch(a){case "b":case "c":case "C":case "x":return this.getLeadAtom();default:case "a":case "n":case "p":case "P":case "q":return null}},"~S");j(c$,"getHelixData",function(a,b,c){return this.getHelixData2(a,b,c)},"~N,~S,~N");j(c$,"getQuaternion",function(a){return this.getQuaternionAlpha(a)},"~S");e(c$,"getQuaternionAlpha",function(a){if(0>this.monomerIndex)return null;var b=new JU.V3,c=new JU.V3;switch(a){default:case "a":case "n":case "p":case "q":return null; -case "b":case "c":case "x":if(0==this.monomerIndex||this.monomerIndex==this.bioPolymer.monomerCount-1)return null;a=this.getLeadAtom();var d=this.bioPolymer.getLeadPoint(this.monomerIndex+1),f=this.bioPolymer.getLeadPoint(this.monomerIndex-1);b.sub2(d,a);c.sub2(f,a)}return JU.Quat.getQuaternionFrameV(b,c,null,!1)},"~S");B(c$,"alphaOffsets",F(-1,[0]))});m("JM");q(["JM.Structure"],"JM.ProteinStructure",["java.util.Hashtable","JU.P3","$.V3","JU.Logger"],function(){c$=v(function(){this.structureID=this.subtype= -this.type=null;this.serialID=this.strucNo=0;this.strandCount=1;this.nRes=0;this.apolymer=null;this.monomerIndexLast=this.monomerIndexFirst=0;this.resMap=this.segments=this.vectorProjection=this.axisUnitVector=this.axisB=this.axisA=null;s(this,arguments)},JM,"ProteinStructure",null,JM.Structure);e(c$,"setupPS",function(a,b,c,d){this.strucNo=++JM.ProteinStructure.globalStrucNo;this.apolymer=a;this.type=b;this.vectorProjection=new JU.V3;this.monomerIndexFirst=c;this.addMonomer(c+d-1);JU.Logger.debugging&& -JU.Logger.info("Creating ProteinStructure "+this.strucNo+" "+b.getBioStructureTypeName(!1)+" from "+this.monomerIndexFirst+" through "+this.monomerIndexLast+" in polymer "+a)},"JM.AlphaPolymer,J.c.STR,~N,~N");e(c$,"addMonomer",function(a){this.resMap=null;this.resetAxes();this.monomerIndexFirst=Math.min(this.monomerIndexFirst,a);this.monomerIndexLast=Math.max(this.monomerIndexLast,a);this.nRes=this.monomerIndexLast-this.monomerIndexFirst+1},"~N");e(c$,"removeMonomer",function(a){this.resMap=null; -this.resetAxes();if(!(a>this.monomerIndexLast||athis.monomerIndexFirst&&a=this.monomerIndexFirst;--d)if(null==a||a.get(c[d].leadAtomIndex))return c[d];return null},"JU.BS,~B");B(c$,"globalStrucNo",1E3)});m("JM");q(["JM.ProteinStructure"],"JM.Helix",["JU.Measure","$.P3","$.V3","J.c.STR"],function(){c$=A(JM,"Helix",JM.ProteinStructure);I(c$,function(a,b,c,d){this.setupPS(a,J.c.STR.HELIX,b,c);this.subtype=d},"JM.AlphaPolymer,~N,~N,J.c.STR");j(c$,"calcAxis",function(){if(null==this.axisA){for(var a= -Array(this.nRes+1),b=0;b<=this.nRes;b++)this.apolymer.getLeadMidPoint(this.monomerIndexFirst+b,a[b]=new JU.P3);this.axisA=new JU.P3;this.axisUnitVector=new JU.V3;JU.Measure.calcBestAxisThroughPoints(a,this.axisA,this.axisUnitVector,this.vectorProjection,4);this.axisB=JU.P3.newP(a[this.nRes]);JU.Measure.projectOntoAxis(this.axisB,this.axisA,this.axisUnitVector,this.vectorProjection)}})});m("JM");q(["JM.ProteinStructure"],"JM.Sheet",["JU.Measure","$.P3","$.V3","J.c.STR","JM.AminoPolymer"],function(){c$= -v(function(){this.heightUnitVector=this.widthUnitVector=null;s(this,arguments)},JM,"Sheet",JM.ProteinStructure);I(c$,function(a,b,c,d){this.setupPS(a,J.c.STR.SHEET,b,c);this.subtype=d},"JM.AlphaPolymer,~N,~N,J.c.STR");j(c$,"calcAxis",function(){if(null==this.axisA){2==this.nRes?(this.axisA=this.apolymer.getLeadPoint(this.monomerIndexFirst),this.axisB=this.apolymer.getLeadPoint(this.monomerIndexFirst+1)):(this.axisA=new JU.P3,this.apolymer.getLeadMidPoint(this.monomerIndexFirst+1,this.axisA),this.axisB= -new JU.P3,this.apolymer.getLeadMidPoint(this.monomerIndexFirst+this.nRes-1,this.axisB));this.axisUnitVector=new JU.V3;this.axisUnitVector.sub2(this.axisB,this.axisA);this.axisUnitVector.normalize();var a=new JU.P3;this.apolymer.getLeadMidPoint(this.monomerIndexFirst,a);this.notHelixOrSheet(this.monomerIndexFirst-1)&&JU.Measure.projectOntoAxis(a,this.axisA,this.axisUnitVector,this.vectorProjection);var b=new JU.P3;this.apolymer.getLeadMidPoint(this.monomerIndexFirst+this.nRes,b);this.notHelixOrSheet(this.monomerIndexFirst+ -this.nRes)&&JU.Measure.projectOntoAxis(b,this.axisA,this.axisUnitVector,this.vectorProjection);this.axisA=a;this.axisB=b}});e(c$,"notHelixOrSheet",function(a){return 0>a||a>=this.apolymer.monomerCount||!this.apolymer.monomers[a].isHelix()&&!this.apolymer.monomers[a].isSheet()},"~N");e(c$,"calcSheetUnitVectors",function(){if(r(this.apolymer,JM.AminoPolymer)&&null==this.widthUnitVector){var a=new JU.V3,b=new JU.V3,c=this.apolymer.monomers[this.monomerIndexFirst];b.sub2(c.getCarbonylOxygenAtom(),c.getCarbonylCarbonAtom()); -for(var d=this.nRes;--d>this.monomerIndexFirst;)c=this.apolymer.monomers[d],a.sub2(c.getCarbonylOxygenAtom(),c.getCarbonylCarbonAtom()),1.5707964>b.angle(a)?b.add(a):b.sub(a);this.heightUnitVector=a;this.heightUnitVector.cross(this.axisUnitVector,b);this.heightUnitVector.normalize();this.widthUnitVector=b;this.widthUnitVector.cross(this.axisUnitVector,this.heightUnitVector)}});e(c$,"setBox",function(a,b,c,d,f,g,h){null==this.heightUnitVector&&this.calcSheetUnitVectors();d.setT(this.widthUnitVector); -d.scale(h*a);f.setT(this.heightUnitVector);f.scale(h*b);g.ave(d,f);g.sub2(c,g)},"~N,~N,JU.P3,JU.V3,JU.V3,JU.P3,~N")});m("JM");q(["JM.ProteinStructure"],"JM.Turn",["J.c.STR"],function(){c$=A(JM,"Turn",JM.ProteinStructure);I(c$,function(a,b,c){this.setupPS(a,J.c.STR.TURN,b,c);this.subtype=J.c.STR.TURN},"JM.AlphaPolymer,~N,~N")});m("JM");q(["JM.Structure","JU.V3"],"JM.BioPolymer",["java.lang.Float","JU.BS","$.P3"],function(){c$=v(function(){this.monomers=this.model=null;this.hasStructure=!1;this.leadAtomIndices= -this.wingVectors=this.controlPoints=this.leadPoints=this.leadMidpoints=null;this.cyclicFlag=this.monomerCount=this.bioPolymerIndexInModel=this.type=0;this.invalidControl=this.invalidLead=!1;this.sheetSmoothing=0;this.hasWingPoints=!1;this.reversed=null;this.twistedSheets=!1;this.unitVectorX=null;this.selectedMonomerCount=0;this.bsSelectedMonomers=null;this.haveParameters=!1;s(this,arguments)},JM,"BioPolymer",null,JM.Structure);N(c$,function(){this.unitVectorX=JU.V3.new3(1,0,0)});y(c$,function(){}); -e(c$,"set",function(a){this.monomers=a;for(var b=this.monomerCount=a.length;0<=--b;)a[b].setBioPolymer(this,b);this.model=a[0].getModel()},"~A");j(c$,"setAtomBits",function(a){this.getRange(a,!0)},"JU.BS");j(c$,"setAtomBitsAndClear",function(a,b){for(var c=this.monomerCount;0<=--c;)this.monomers[c].setAtomBitsAndClear(a,b)},"JU.BS,JU.BS");e(c$,"getRange",function(a,b){if(0!=this.monomerCount)if(b)for(var c=this.monomerCount;0<=--c;)this.monomers[c].setAtomBits(a);else a.setBits(this.monomers[0].firstAtomIndex, -this.monomers[this.monomerCount-1].lastAtomIndex+1)},"JU.BS,~B");e(c$,"clearStructures",function(){});e(c$,"getLeadAtomIndices",function(){null==this.leadAtomIndices&&(this.leadAtomIndices=u(this.monomerCount,0),this.invalidLead=!0);if(this.invalidLead){for(var a=this.monomerCount;0<=--a;)this.leadAtomIndices[a]=this.monomers[a].leadAtomIndex;this.invalidLead=!1}return this.leadAtomIndices});e(c$,"getIndex",function(a,b,c,d){var f;for(f=this.monomerCount;0<=--f;){var g=this.monomers[f];if(g.chain.chainID== -a&&g.seqcode==b&&(0>c||c==g.firstAtomIndex||d==g.lastAtomIndex))break}return f},"~N,~N,~N,~N");e(c$,"getLeadPoint",function(a){return this.monomers[a].getLeadAtom()},"~N");e(c$,"getInitiatorPoint",function(){return this.monomers[0].getInitiatorAtom()});e(c$,"getTerminatorPoint",function(){return this.monomers[this.monomerCount-1].getTerminatorAtom()});e(c$,"getLeadMidPoint",function(a,b){if(a==this.monomerCount)--a;else if(0this.monomerCount)this.wingVectors[1]=this.unitVectorX;else{d=null;for(e=1;e=a;)this.monomers[b].getMonomerSequenceAtoms(c,d)},"~N,~N,JU.BS,JU.BS");e(c$,"getProteinStructure",function(){return null},"~N");e(c$,"calcParameters",function(){this.haveParameters= -!0;return this.calcEtaThetaAngles()||this.calcPhiPsiAngles()});e(c$,"calcEtaThetaAngles",function(){return!1});e(c$,"calcPhiPsiAngles",function(){return!1});e(c$,"calculateRamachandranHelixAngle",function(){return NaN},"~N,~S");e(c$,"isNucleic",function(){return 0l||this.monomers[this.monomerCount-1].lastAtomIndexg+4&&(n=this.line.charAt(g+4));b===J.c.STR.NONE&&(b=a);a=new J.adapter.smarter.Structure(-1,a,b,e,k,h,null);a.set(c,l,d,f,p,n,-2147483648,2147483647);this.asc.addStructure(a)}});e(c$,"getModelNumber",function(){var a=14;a>this.lineLength&&(a=this.lineLength);a=this.parseIntRange(this.line, +6,a);return-2147483648==a?0:a});e(c$,"getModelName",function(){if(16>this.lineLength)return null;var a=this.line.substring(15,this.lineLength).trim();return 0==a.length?null:a});e(c$,"model",function(a,b){this.checkNotPDB();null==b&&(b=this.pdbID);this.haveMappedSerials=!1;this.sbConect=null;this.asc.newAtomSet();this.asc.setCurrentModelInfo("pdbID",this.pdbID);(0==this.asc.iSet||this.isTrajectory)&&this.asc.setAtomSetName(this.pdbID);this.asc.setCurrentModelInfo("name",b);this.checkUnitCellParams(); +this.isCourseGrained||this.setModelPDB(!0);this.asc.setCurrentAtomSetNumber(a);this.isCourseGrained&&this.asc.setCurrentModelInfo("courseGrained",Boolean.TRUE)},"~N,~S");e(c$,"checkNotPDB",function(){var a=!this.isCourseGrained&&(0==this.nRes||this.nUNK!=this.nRes);this.asc.checkSpecial=!a;this.setModelPDB(a);this.nUNK=this.nRes=0;this.currentGroup3=null});e(c$,"cryst1",function(){var a=this.$cryst1=this.getFloat(6,9);1==a&&(a=NaN);this.setUnitCell(a,this.getFloat(15,9),this.getFloat(24,9),this.getFloat(33, +7),this.getFloat(40,7),this.getFloat(47,7));this.isbiomol&&(this.doConvertToFractional=!1);(null==this.sgName||this.sgName.equals("unspecified!"))&&this.setSpaceGroupName(JU.PT.parseTrimmedRange(this.line,55,66));this.fileSgName=this.sgName});e(c$,"getFloat",function(a,b){return this.parseFloatRange(this.line,a,a+b)},"~N,~N");e(c$,"scale",function(a){null!=this.unitCellParams&&(a=4*a+2,this.unitCellParams[0]=this.$cryst1,this.setUnitCellItem(a++,this.getFloat(10,10)),this.setUnitCellItem(a++,this.getFloat(20, +10)),this.setUnitCellItem(a++,this.getFloat(30,10)),this.setUnitCellItem(a++,this.getFloat(45,10)),this.isbiomol&&(this.doConvertToFractional=!1))},"~N");e(c$,"expdta",function(){0<=this.line.toUpperCase().indexOf("NMR")&&this.asc.setInfo("isNMRdata","true")});e(c$,"formul",function(){var a=this.parseTokenRange(this.line,12,15),b=JU.PT.parseTrimmedRange(this.line,19,70),c=b.indexOf("(");if(0<=c){var d=b.indexOf(")");if(0>d||c>=d||c+1==d)return;b=JU.PT.parseTrimmedRange(b,c+1,d)}c=this.htFormul.get(a); +null==c&&this.htFormul.put(a,c=new java.util.Hashtable);for(this.next[0]=0;null!=(d=this.parseTokenNext(b));)2>d.length||(a=d.charAt(0),d=d.charAt(1),J.adapter.smarter.Atom.isValidSymNoCase(a,d)?c.put(""+a+d,Boolean.TRUE):J.adapter.smarter.Atom.isValidSym1(a)&&c.put(""+a,Boolean.TRUE))});e(c$,"het",function(){if(!(30>this.line.length)){null==this.htHetero&&(this.htHetero=new java.util.Hashtable);var a=this.parseTokenRange(this.line,7,10);if(!this.htHetero.containsKey(a)){var b=JU.PT.parseTrimmedRange(this.line, +30,70);this.htHetero.put(a,b)}}});e(c$,"hetnam",function(){null==this.htHetero&&(this.htHetero=new java.util.Hashtable);var a=this.parseTokenRange(this.line,11,14),b=JU.PT.parseTrimmedRange(this.line,15,70);if(null==a)JU.Logger.error("ERROR: HETNAM record does not contain a group name: "+this.line);else{var c=this.htHetero.get(a);null!=c&&(b=c+b);this.htHetero.put(a,b);this.appendLoadNote(a+" = "+b)}});e(c$,"anisou",function(){var a=G(8,0);a[6]=1;var b=this.line.substring(6,11).trim();if(!this.haveMappedSerials&& +0c;c+=7,d++)a[d]=this.parseFloatRange(this.line,c,c+7);for(c=0;6>c;c++){if(Float.isNaN(a[c])){JU.Logger.error("Bad ANISOU record: "+this.line);return}a[c]/=1E4}this.asc.setAnisoBorU(b,a,12)}});e(c$,"site",function(){null==this.htSites&& +(this.htSites=new java.util.Hashtable);var a=this.parseIntRange(this.line,15,17),b=JU.PT.parseTrimmedRange(this.line,11,14),c=this.htSites.get(b);null==c&&(c=new java.util.Hashtable,c.put("nResidues",Integer.$valueOf(a)),c.put("groups",""),this.htSites.put(b,c));a=c.get("groups");for(b=0;4>b;b++){var d=18+11*b,f=JU.PT.parseTrimmedRange(this.line,d,d+3);if(0==f.length)break;var g=JU.PT.parseTrimmedRange(this.line,d+4,d+5),h=JU.PT.parseTrimmedRange(this.line,d+5,d+9),d=JU.PT.parseTrimmedRange(this.line, +d+9,d+10),a=a+((0==a.length?"":",")+"["+f+"]"+h);0k.length))if(JU.Logger.info(this.line),k[1].equalsIgnoreCase("GROUP"))f=new java.util.Hashtable,g=new JU.Lst,f.put("ranges",g),d.addLast(f),this.tlsGroupID= +this.parseIntStr(k[k.length-1]),f.put("id",Integer.$valueOf(this.tlsGroupID));else if(k[0].equalsIgnoreCase("NUMBER")){if(!k[2].equalsIgnoreCase("COMPONENTS")){a=this.parseIntStr(k[k.length-1]);if(1>a)break;null==this.vTlsModels&&(this.vTlsModels=new JU.Lst);d=new JU.Lst;this.appendLoadNote(this.line.substring(11).trim())}}else if(k[0].equalsIgnoreCase("COMPONENTS"))c=this.line;else if(k[0].equalsIgnoreCase("RESIDUE")){var h=new java.util.Hashtable,l,p,n,j;if(6==k.length)l=k[2].charAt(0),p=k[4].charAt(0), +n=this.parseIntStr(k[3]),j=this.parseIntStr(k[5]);else{var w=c.indexOf(" C "),x=c.indexOf(" C ",w+4);l=this.line.charAt(x);p=this.line.charAt(w);n=this.parseIntRange(this.line,x+1,w);j=this.parseIntStr(this.line.substring(w+1))}l==p?(h.put("chains",""+l+p),n<=j?(h.put("residues",s(-1,[n,j])),g.addLast(h)):this.tlsAddError(" TLS group residues are not in order (range ignored)")):this.tlsAddError(" TLS group chains are different (range ignored)")}else if(k[0].equalsIgnoreCase("SELECTION"))for(var t= +"\x00",m=1;mm;m++)for(t=0;3>t;t++)Float.isNaN(z[m][t])&&this.tlsAddError("invalid tensor: "+JU.Escape.escapeFloatAA(z,!1));if("S"==v&&++b==a){JU.Logger.info(a+" TLS groups read");this.readHeader(!0);break}}}catch(C){if(M(C,Exception)){JU.Logger.error(this.line+"\nError in TLS parser: ");System.out.println(C.getMessage());d=null;break}else throw C;}null!=d&&(b=new java.util.Hashtable,b.put("groupCount",Integer.$valueOf(a)), +b.put("groups",d),this.vTlsModels.addLast(b));return 1>a});e(c$,"handleTlsMissingModels",function(){this.vTlsModels=null});e(c$,"setTlsGroups",function(a,b,c){JU.Logger.info("TLS model "+(b+1)+" set "+(a+1));a=this.vTlsModels.get(a);for(var d=a.get("groups"),f=this.asc.getAtomSetAtomIndex(b),g=G(this.asc.getAtomSetAtomCount(b),0),h=f+g.length,e=this.asc.atoms,k=d.size(),l=0;lr){JU.Logger.info("TLS processing terminated");return}JU.Logger.info("TLS ID="+this.tlsGroupID+" model atom index range "+q+"-"+r);q=t==w;for(r=f;r=m&&u.sequenceNumber<=x:u.chainID>t&&u.chainID=m||u.chainID==w&&u.sequenceNumber<=x)g[r-f]=this.tlsGroupID,this.setTlsTensor(u, +p,c)}}}this.asc.setAtomProperties("tlsGroup",g,b,!0);this.asc.setModelInfoForSet("TLS",a,b);this.asc.setTensors()},"~N,~N,J.api.SymmetryInterface");e(c$,"findAtomForRange",function(a,b,c,d,f){a=this.findAtom(a,b,c,d,!0);return f&&0<=a?this.findAtom(a,b,c,d,!1):a},"~N,~N,~N,~N,~B");e(c$,"findAtom",function(a,b,c,d,f){for(var g=this.asc.atoms;aa?1:a},"~N");e(c$,"addConnection",function(a){null==this.vConnect&&(this.connectLast=null,this.vConnect=new JU.Lst);null!=this.connectLast&&a[0]==this.connectLast[0]&&a[1]==this.connectLast[1]&&2048!=a[2]?this.connectLast[2]++:this.vConnect.addLast(this.connectLast=a)},"~A");e(c$,"connectAllBad",function(a){for(var b=this.connectNextAtomIndex,c=this.connectNextAtomSet;cd))if(b)this.connectAllBad(a);else if(c.setCurrentModelInfo("PDB_CONECT_firstAtom_count_max",s(-1,[c.getAtomSetAtomIndex(d),c.getAtomSetAtomCount(d),a])),null!=this.vConnect){for(var f=this.connectNextAtomIndex, +g=c.atomSetCount;--g>=this.connectNextAtomSet;)c.setModelInfoForSet("PDB_CONECT_bonds",this.vConnect,g),c.setGlobalBoolean(3),f+=c.getAtomSetAtomCount(g);this.vConnect=null;this.connectNextAtomSet=d+1;this.connectNextAtomIndex=f}},"~N,~B");A(c$,"MODE_PDB",0,"MODE_HEX",1,"MODE_HYBRID36",2,"lineOptions","ATOM HETATM MODEL CONECT HELIX SHEET TURN HET HETNAM ANISOU SITE CRYST1 SCALE1 SCALE2 SCALE3 EXPDTA FORMUL REMARK HEADER COMPND SOURCE TITLE SEQADV ","RAD_PER_DEG", +0.017453292519943295,"_8PI2_",78.95683520871486)});m("J.adapter.smarter");q(null,"J.adapter.smarter.Structure",["J.c.STR"],function(){c$=v(function(){this.structureID=this.substructureType=this.structureType=null;this.startChainID=this.startSequenceNumber=this.strandCount=this.serialID=0;this.startChainStr=null;this.startInsertionCode="\x00";this.endChainID=this.endSequenceNumber=0;this.endChainStr=null;this.endInsertionCode="\x00";this.bsAll=this.modelStartEnd=this.atomStartEnd=null;u(this,arguments)}, +J.adapter.smarter,"Structure");N(c$,function(){this.atomStartEnd=s(2,0);this.modelStartEnd=s(-1,[-1,-1])});c$.getHelixType=e(c$,"getHelixType",function(a){switch(a){case 1:return J.c.STR.HELIXALPHA;case 3:return J.c.STR.HELIXPI;case 5:return J.c.STR.HELIX310}return J.c.STR.HELIX},"~N");z(c$,function(a,b,c,d,f,g,h){null!=h?(this.modelStartEnd=s(-1,[0,a]),this.bsAll=h):(this.structureType=b,this.substructureType=c,null!=d&&(this.modelStartEnd[0]=this.modelStartEnd[1]=a,this.structureID=d,this.strandCount= +g,this.serialID=f))},"~N,J.c.STR,J.c.STR,~S,~N,~N,~A");e(c$,"set",function(a,b,c,d,f,g,h,e){this.startChainID=a;this.startSequenceNumber=b;this.startInsertionCode=c;this.endChainID=d;this.endSequenceNumber=f;this.endInsertionCode=g;this.atomStartEnd[0]=h;this.atomStartEnd[1]=e},"~N,~N,~S,~N,~N,~S,~N,~N")});m("JM");q(["JM.Group"],"JM.Monomer","java.lang.Float JU.Measure $.P3 $.Quat J.c.STR JM.BioResolver $.ProteinStructure JU.Escape $.Logger JV.JC".split(" "),function(){c$=v(function(){this.offsets= 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null==this.bioPolymer?0:this.bioPolymer.monomerCount});e(c$,"getMonomerIndex", +function(){return this.monomerIndex});j(c$,"getAtomIndex",function(a,b){if(null!=this.bioPolymer){var c=this.bioPolymer.monomers,d=this.monomerIndex+b;if(0<=d&&dh)g=b[~h];else if(g=b[h],0>g)return null;var e;if(0>g)e=255;else if(e=g-a,0>e||254h&&(e=255);f[d]=e}return f},"~N,~A,~A");j(c$,"getProteinStructureType", +function(){return J.c.STR.NONE});e(c$,"isHelix",function(){return!1});e(c$,"isSheet",function(){return!1});j(c$,"setStrucNo",function(){},"~N");e(c$,"getAtomFromOffsetIndex",function(a){if(a>this.offsets.length)return null;a=this.offsets[a]&255;return 255==a?null:this.chain.model.ms.at[this.firstAtomIndex+a]},"~N");e(c$,"getSpecialAtom",function(a,b){for(var c=a.length;0<=--c;){var d=a[c];0>d&&(d=-d);if(b==d)return c=this.offsets[c]&255,255==c?null:this.chain.model.ms.at[this.firstAtomIndex+c]}return null}, +"~A,~N");e(c$,"getSpecialAtomPoint",function(a,b){for(var c=a.length;0<=--c;){var d=a[c];0>d&&(d=-d);if(b==d)return c=this.offsets[c]&255,255==c?null:this.chain.model.ms.at[this.firstAtomIndex+c]}return null},"~A,~N");j(c$,"isLeadAtom",function(a){return a==this.leadAtomIndex},"~N");j(c$,"getLeadAtom",function(){return this.getAtomFromOffsetIndex(0)});e(c$,"getWingAtom",function(){return this.getAtomFromOffsetIndex(1)});e(c$,"getInitiatorAtom",function(){return this.getLeadAtom()});e(c$,"getTerminatorAtom", +function(){return this.getLeadAtom()});e(c$,"findNearestAtomIndex",function(){},"~N,~N,~A,~N,~N");e(c$,"getMyInfo",function(a){a=this.getGroupInfo(this.groupIndex,a);a.put("chain",this.chain.getIDStr());var b=this.getResno();0this.lastAtomIndex&&(k-=h+1);var l=k-this.firstAtomIndex;if(!(0>l||255d)return!1;a[b]=d-c;return!0},"~A,~N,~N,~N");e(c$,"getQuaternionFrameCenter",function(){return null},"~S");e(c$,"getHelixData2",function(a,b,c){if(0>this.monomerIndex)return null;var d=this.monomerIndex-c,f=1>c||0>=this.monomerIndex? +null:this.bioPolymer.monomers[d],d=this.getQuaternion(b),g=1>c?JU.Quat.getQuaternionFrameV(JV.JC.axisX,JV.JC.axisY,JV.JC.axisZ,!1):null==f?null:f.getQuaternion(b);if(null==g||null==d)return this.getHelixData(a,b,c);var f=1>c?JU.P3.new3(0,0,0):f.getQuaternionFrameCenter(b),h=this.getQuaternionFrameCenter(b);return null==f||null==h?this.getHelixData(a,b,c):JU.Escape.escapeHelical(135176==a?"helixaxis"+this.getUniqueID():null,a,f,h,JU.Measure.computeHelicalAxis(f,h,d.div(g)))},"~N,~S,~N");e(c$,"getUniqueID", +function(){var a=this.chain.chainID,b=this.getLeadAtom(),a=(null==b?"":"_"+b.mi)+"_"+this.getResno()+(0==a?"":"_"+a),b=null==b?"\x00":this.getLeadAtom().altloc;"\x00"!=b&&(a+="_"+b);return a});j(c$,"isCrossLinked",function(a){for(var b=this.firstAtomIndex;b<=this.lastAtomIndex;b++)if(this.getCrossLinkGroup(b,null,a,!0,!0,!1))return!0;return!1},"JM.Group");j(c$,"getCrossLinkVector",function(a,b,c){for(var d=null==a,f=this.firstAtomIndex;f<=this.lastAtomIndex;f++)if(this.getCrossLinkGroup(f,a,null, +b,c,d)&&d)return!0;return!d&&0k||null==e)return!1;var l=!1;g=!g&&null==b&&null==c;for(var p=0;pthis.monomerIndex+1)){l=!0;if(null!=c||null==b)break;b.addLast(Integer.$valueOf(a));b.addLast(Integer.$valueOf(n.i));b.addLast(Integer.$valueOf(j.leadAtomIndex))}}}}return l},"~N,JU.Lst,JM.Group,~B,~B,~B");e(c$,"isConnectedPrevious",function(){return!0});e(c$,"setGroupParameter",function(a,b){switch(a){case 1111490569:this.phi=b;break;case 1111490570:this.psi=b;break;case 1111490568:this.omega=b;break;case 1111490565:this.mu=b;break;case 1111490576:this.theta=b;break;case 1111490574:this.straightness= +b}},"~N,~N");j(c$,"getGroupParameter",function(a){if(null==this.bioPolymer)return 0;this.bioPolymer.haveParameters||this.bioPolymer.calcParameters();switch(a){case 1094713361:return 1;case 1111490568:return this.omega;case 1111490569:return this.phi;case 1111490570:return this.psi;case 1111490565:return this.mu;case 1111490576:return this.theta;case 1111490574:return this.straightness}return NaN},"~N");j(c$,"getGroup1",function(){return this.groupIDb||0=b.distance(a)},"JM.Monomer");j(c$,"getQuaternionFrameCenter",function(a){return this.getQuaternionFrameCenterAlpha(a)},"~S");j(c$,"isWithinStructure",function(a){return null!=this.proteinStructure&&this.proteinStructure.type===a&&this.proteinStructure.isWithin(this.monomerIndex)},"J.c.STR");e(c$,"getQuaternionFrameCenterAlpha",function(a){switch(a){case "b":case "c":case "C":case "x":return this.getLeadAtom();default:case "a":case "n":case "p":case "P":case "q":return null}},"~S");j(c$,"getHelixData", +function(a,b,c){return this.getHelixData2(a,b,c)},"~N,~S,~N");j(c$,"getQuaternion",function(a){return this.getQuaternionAlpha(a)},"~S");e(c$,"getQuaternionAlpha",function(a){if(0>this.monomerIndex)return null;var b=new JU.V3,c=new JU.V3;switch(a){default:case "a":case "n":case "p":case "q":return null;case "b":case "c":case "x":if(0==this.monomerIndex||this.monomerIndex==this.bioPolymer.monomerCount-1)return null;a=this.getLeadAtom();var d=this.bioPolymer.getLeadPoint(this.monomerIndex+1),f=this.bioPolymer.getLeadPoint(this.monomerIndex- +1);b.sub2(d,a);c.sub2(f,a)}return JU.Quat.getQuaternionFrameV(b,c,null,!1)},"~S");A(c$,"alphaOffsets",F(-1,[0]))});m("JM");q(["JM.Structure"],"JM.ProteinStructure",["java.util.Hashtable","JU.P3","$.V3","JU.Logger"],function(){c$=v(function(){this.structureID=this.subtype=this.type=null;this.serialID=this.strucNo=0;this.strandCount=1;this.nRes=0;this.apolymer=null;this.monomerIndexLast=this.monomerIndexFirst=0;this.resMap=this.segments=this.vectorProjection=this.axisUnitVector=this.axisB=this.axisA= +null;u(this,arguments)},JM,"ProteinStructure",null,JM.Structure);e(c$,"setupPS",function(a,b,c,d){this.strucNo=++JM.ProteinStructure.globalStrucNo;this.apolymer=a;this.type=b;this.vectorProjection=new JU.V3;this.monomerIndexFirst=c;this.addMonomer(c+d-1);JU.Logger.debugging&&JU.Logger.info("Creating ProteinStructure "+this.strucNo+" "+b.getBioStructureTypeName(!1)+" from "+a.monomers[this.monomerIndexFirst]+" through "+a.monomers[this.monomerIndexLast]+" in polymer "+a)},"JM.AlphaPolymer,J.c.STR,~N,~N"); +e(c$,"addMonomer",function(a){this.resMap=null;this.resetAxes();this.monomerIndexFirst=Math.min(this.monomerIndexFirst,a);this.monomerIndexLast=Math.max(this.monomerIndexLast,a);this.nRes=this.monomerIndexLast-this.monomerIndexFirst+1},"~N");e(c$,"removeMonomer",function(a){this.resMap=null;this.resetAxes();if(!(a>this.monomerIndexLast||athis.monomerIndexFirst&&a=this.monomerIndexFirst;--d)if(null==a||a.get(c[d].leadAtomIndex))return c[d];return null},"JU.BS,~B");A(c$,"globalStrucNo",1E3)});m("JM"); +q(["JM.ProteinStructure"],"JM.Helix",["JU.Measure","$.P3","$.V3","J.c.STR"],function(){c$=B(JM,"Helix",JM.ProteinStructure);I(c$,function(a,b,c,d){this.setupPS(a,J.c.STR.HELIX,b,c);this.subtype=d},"JM.AlphaPolymer,~N,~N,J.c.STR");j(c$,"calcAxis",function(){if(null==this.axisA){for(var a=Array(this.nRes+1),b=0;b<=this.nRes;b++)this.apolymer.getLeadMidPoint(this.monomerIndexFirst+b,a[b]=new JU.P3);this.axisA=new JU.P3;this.axisUnitVector=new JU.V3;JU.Measure.calcBestAxisThroughPoints(a,this.axisA,this.axisUnitVector, +this.vectorProjection,4);this.axisB=JU.P3.newP(a[this.nRes]);JU.Measure.projectOntoAxis(this.axisB,this.axisA,this.axisUnitVector,this.vectorProjection)}})});m("JM");q(["JM.ProteinStructure"],"JM.Sheet",["JU.Measure","$.P3","$.V3","J.c.STR","JM.AminoPolymer"],function(){c$=v(function(){this.heightUnitVector=this.widthUnitVector=null;u(this,arguments)},JM,"Sheet",JM.ProteinStructure);I(c$,function(a,b,c,d){this.setupPS(a,J.c.STR.SHEET,b,c);this.subtype=d},"JM.AlphaPolymer,~N,~N,J.c.STR");j(c$,"calcAxis", +function(){if(null==this.axisA){2==this.nRes?(this.axisA=this.apolymer.getLeadPoint(this.monomerIndexFirst),this.axisB=this.apolymer.getLeadPoint(this.monomerIndexFirst+1)):(this.axisA=new JU.P3,this.apolymer.getLeadMidPoint(this.monomerIndexFirst+1,this.axisA),this.axisB=new JU.P3,this.apolymer.getLeadMidPoint(this.monomerIndexFirst+this.nRes-1,this.axisB));this.axisUnitVector=new JU.V3;this.axisUnitVector.sub2(this.axisB,this.axisA);this.axisUnitVector.normalize();var a=new JU.P3;this.apolymer.getLeadMidPoint(this.monomerIndexFirst, +a);this.notHelixOrSheet(this.monomerIndexFirst-1)&&JU.Measure.projectOntoAxis(a,this.axisA,this.axisUnitVector,this.vectorProjection);var b=new JU.P3;this.apolymer.getLeadMidPoint(this.monomerIndexFirst+this.nRes,b);this.notHelixOrSheet(this.monomerIndexFirst+this.nRes)&&JU.Measure.projectOntoAxis(b,this.axisA,this.axisUnitVector,this.vectorProjection);this.axisA=a;this.axisB=b}});e(c$,"notHelixOrSheet",function(a){return 0>a||a>=this.apolymer.monomerCount||!this.apolymer.monomers[a].isHelix()&&!this.apolymer.monomers[a].isSheet()}, +"~N");e(c$,"calcSheetUnitVectors",function(){if(r(this.apolymer,JM.AminoPolymer)&&null==this.widthUnitVector){var a=new JU.V3,b=new JU.V3,c=this.apolymer.monomers[this.monomerIndexFirst];b.sub2(c.getCarbonylOxygenAtom(),c.getCarbonylCarbonAtom());for(var d=this.nRes;--d>this.monomerIndexFirst;)c=this.apolymer.monomers[d],a.sub2(c.getCarbonylOxygenAtom(),c.getCarbonylCarbonAtom()),1.5707964>b.angle(a)?b.add(a):b.sub(a);this.heightUnitVector=a;this.heightUnitVector.cross(this.axisUnitVector,b);this.heightUnitVector.normalize(); +this.widthUnitVector=b;this.widthUnitVector.cross(this.axisUnitVector,this.heightUnitVector)}});e(c$,"setBox",function(a,b,c,d,f,g,h){null==this.heightUnitVector&&this.calcSheetUnitVectors();d.setT(this.widthUnitVector);d.scale(h*a);f.setT(this.heightUnitVector);f.scale(h*b);g.ave(d,f);g.sub2(c,g)},"~N,~N,JU.P3,JU.V3,JU.V3,JU.P3,~N")});m("JM");q(["JM.ProteinStructure"],"JM.Turn",["J.c.STR"],function(){c$=B(JM,"Turn",JM.ProteinStructure);I(c$,function(a,b,c){this.setupPS(a,J.c.STR.TURN,b,c);this.subtype= +J.c.STR.TURN},"JM.AlphaPolymer,~N,~N")});m("JM");q(["JM.Structure","JU.V3"],"JM.BioPolymer",["java.lang.Float","JU.BS","$.P3"],function(){c$=v(function(){this.monomers=this.model=null;this.hasStructure=!1;this.leadAtomIndices=this.wingVectors=this.controlPoints=this.leadPoints=this.leadMidpoints=null;this.cyclicFlag=this.monomerCount=this.bioPolymerIndexInModel=this.type=0;this.invalidControl=this.invalidLead=!1;this.sheetSmoothing=0;this.hasWingPoints=!1;this.reversed=null;this.twistedSheets=!1; +this.unitVectorX=null;this.selectedMonomerCount=0;this.bsSelectedMonomers=null;this.haveParameters=!1;u(this,arguments)},JM,"BioPolymer",null,JM.Structure);N(c$,function(){this.unitVectorX=JU.V3.new3(1,0,0)});z(c$,function(){});e(c$,"set",function(a){this.monomers=a;for(var b=this.monomerCount=a.length;0<=--b;)a[b].setBioPolymer(this,b);this.model=a[0].getModel()},"~A");j(c$,"setAtomBits",function(a){this.getRange(a,!0)},"JU.BS");j(c$,"setAtomBitsAndClear",function(a,b){for(var c=this.monomerCount;0<= +--c;)this.monomers[c].setAtomBitsAndClear(a,b)},"JU.BS,JU.BS");e(c$,"getRange",function(a,b){if(0!=this.monomerCount)if(b)for(var c=this.monomerCount;0<=--c;)this.monomers[c].setAtomBits(a);else a.setBits(this.monomers[0].firstAtomIndex,this.monomers[this.monomerCount-1].lastAtomIndex+1)},"JU.BS,~B");e(c$,"clearStructures",function(){});e(c$,"getLeadAtomIndices",function(){null==this.leadAtomIndices&&(this.leadAtomIndices=s(this.monomerCount,0),this.invalidLead=!0);if(this.invalidLead){for(var a= +this.monomerCount;0<=--a;)this.leadAtomIndices[a]=this.monomers[a].leadAtomIndex;this.invalidLead=!1}return this.leadAtomIndices});e(c$,"getIndex",function(a,b,c,d){var f;for(f=this.monomerCount;0<=--f;){var g=this.monomers[f];if(g.chain.chainID==a&&g.seqcode==b&&(0>c||c==g.firstAtomIndex||d==g.lastAtomIndex))break}return f},"~N,~N,~N,~N");e(c$,"getLeadPoint",function(a){return this.monomers[a].getLeadAtom()},"~N");e(c$,"getInitiatorPoint",function(){return this.monomers[0].getInitiatorAtom()});e(c$, +"getTerminatorPoint",function(){return this.monomers[this.monomerCount-1].getTerminatorAtom()});e(c$,"getLeadMidPoint",function(a,b){if(a==this.monomerCount)--a;else if(0this.monomerCount)this.wingVectors[1]=this.unitVectorX;else{d=null;for(e=1;e=a;)this.monomers[b].getMonomerSequenceAtoms(c,d)},"~N,~N,JU.BS,JU.BS");e(c$,"getProteinStructure",function(){return null},"~N");e(c$,"calcParameters",function(){this.haveParameters=!0;return this.calcEtaThetaAngles()||this.calcPhiPsiAngles()});e(c$,"calcEtaThetaAngles",function(){return!1});e(c$,"calcPhiPsiAngles",function(){return!1});e(c$,"calculateRamachandranHelixAngle",function(){return NaN}, +"~N,~S");e(c$,"isNucleic",function(){return 0l||this.monomers[this.monomerCount-1].lastAtomIndexthis.monomerCount)){var a=this.calculateAnglesInDegrees(),b=this.calculateCodes(a);this.checkBetaSheetAlphaHelixOverlap(b,a);var c=this.calculateRunsFourOrMore(b);this.extendRuns(c);this.searchForTurns(b,a,c);this.addStructuresFromTags(c)}}, "~B");e(c$,"calculateAnglesInDegrees",function(){for(var a=G(this.monomerCount,0),b=this.monomerCount-1;2<=--b;)a[b]=JU.Measure.computeTorsion(this.monomers[b-2].getLeadAtom(),this.monomers[b-1].getLeadAtom(),this.monomers[b].getLeadAtom(),this.monomers[b+1].getLeadAtom(),!0);return a});e(c$,"calculateCodes",function(a){for(var b=Array(this.monomerCount),c=this.monomerCount-1;2<=--c;){var d=a[c];b[c]=10<=d&&120>d?JM.AlphaPolymer.Code.RIGHT_HELIX:120<=d||-90>d?JM.AlphaPolymer.Code.BETA_SHEET:-90<= d&&0>d?JM.AlphaPolymer.Code.LEFT_HELIX:JM.AlphaPolymer.Code.NADA}return b},"~A");e(c$,"checkBetaSheetAlphaHelixOverlap",function(a,b){for(var c=this.monomerCount-2;2<=--c;)a[c]===JM.AlphaPolymer.Code.BETA_SHEET&&(140>=b[c]&&a[c-2]===JM.AlphaPolymer.Code.RIGHT_HELIX&&a[c-1]===JM.AlphaPolymer.Code.RIGHT_HELIX&&a[c+1]===JM.AlphaPolymer.Code.RIGHT_HELIX&&a[c+2]===JM.AlphaPolymer.Code.RIGHT_HELIX)&&(a[c]=JM.AlphaPolymer.Code.RIGHT_HELIX)},"~A,~A");e(c$,"calculateRunsFourOrMore",function(a){for(var b=Array(this.monomerCount), c=J.c.STR.NONE,d=JM.AlphaPolymer.Code.NADA,f=0,g=0;gf?a[d]=JM.AlphaPolymer.Code.LEFT_TURN:0<=f&&90>f&&(a[d]=JM.AlphaPolymer.Code.RIGHT_TURN)}for(d=this.monomerCount-1;0<=--d;)a[d]!==JM.AlphaPolymer.Code.NADA&&(a[d+1]===a[d]&&c[d]===J.c.STR.NONE)&&(c[d]=J.c.STR.TURN)},"~A,~A,~A");e(c$,"addStructuresFromTags",function(a){for(var b=0;b(e=d.nextClearBit(h))||e>k)e=k;this.addStructureProtected(c,JM.AlphaPolymer.dsspTypes[b]+ ++g,a++,3==b?1:0,h-f,e-1-f)}return a},"~N,~N,J.c.STR,JU.BS,~B");R(self.c$);c$=A(JM.AlphaPolymer,"Code",Enum);K(c$,"NADA",0,[]);K(c$,"RIGHT_HELIX",1, -[]);K(c$,"BETA_SHEET",2,[]);K(c$,"LEFT_HELIX",3,[]);K(c$,"LEFT_TURN",4,[]);K(c$,"RIGHT_TURN",5,[]);c$=Q();B(c$,"dsspTypes",D(-1,["H",null,"H","S","H",null,"T"]))});m("JM");q(["JM.AlphaMonomer"],"JM.AminoMonomer","JU.A4 $.BS $.M3 $.P3 $.PT $.Quat $.V3 J.c.STR JU.Escape $.Logger".split(" "),function(){c$=v(function(){this.nhChecked=!1;this.ptTemp=null;s(this,arguments)},JM,"AminoMonomer",JM.AlphaMonomer);I(c$,function(){});c$.validateAndAllocate=e(c$,"validateAndAllocate",function(a,b,c,d,f,g,h){var e= +else{var d;for(d=b+1;d(e=d.nextClearBit(h))||e>k)e=k;this.addStructureProtected(c,JM.AlphaPolymer.dsspTypes[b]+ ++g,a++,3==b?1:0,h-f,e-1-f)}return a},"~N,~N,J.c.STR,JU.BS,~B");R(self.c$);c$=B(JM.AlphaPolymer,"Code",Enum);K(c$,"NADA",0,[]);K(c$,"RIGHT_HELIX",1, +[]);K(c$,"BETA_SHEET",2,[]);K(c$,"LEFT_HELIX",3,[]);K(c$,"LEFT_TURN",4,[]);K(c$,"RIGHT_TURN",5,[]);c$=Q();A(c$,"dsspTypes",D(-1,["H",null,"H","S","H",null,"T"]))});m("JM");q(["JM.AlphaMonomer"],"JM.AminoMonomer","JU.A4 $.BS $.M3 $.P3 $.PT $.Quat $.V3 J.c.STR JU.Escape $.Logger".split(" "),function(){c$=v(function(){this.nhChecked=!1;this.ptTemp=null;u(this,arguments)},JM,"AminoMonomer",JM.AlphaMonomer);I(c$,function(){});c$.validateAndAllocate=e(c$,"validateAndAllocate",function(a,b,c,d,f,g,h){var e= JM.Monomer.scanForOffsets(d,g,JM.AminoMonomer.interestingAminoAtomIDs);if(null==e)return null;JM.Monomer.checkOptional(e,1,d,g[5]);return h[d].isHetero()&&!JM.AminoMonomer.isBondedCorrectly(d,e,h)?null:(new JM.AminoMonomer).set2(a,b,c,d,f,e)},"JM.Chain,~S,~N,~N,~N,~A,~A");c$.isBondedCorrectlyRange=e(c$,"isBondedCorrectlyRange",function(a,b,c,d,f){a=c+(d[a]&255);b=c+(d[b]&255);return a!=b&&f[a].isBonded(f[b])},"~N,~N,~N,~A,~A");c$.isBondedCorrectly=e(c$,"isBondedCorrectly",function(a,b,c){return JM.AminoMonomer.isBondedCorrectlyRange(2, 0,a,b,c)&&JM.AminoMonomer.isBondedCorrectlyRange(0,3,a,b,c)&&(!JM.Monomer.have(b,1)||JM.AminoMonomer.isBondedCorrectlyRange(3,1,a,b,c))},"~N,~A,~A");e(c$,"isAminoMonomer",function(){return!0});j(c$,"getNitrogenAtom",function(){return this.getAtomFromOffsetIndex(2)});e(c$,"getCarbonylCarbonAtom",function(){return this.getAtomFromOffsetIndex(3)});j(c$,"getCarbonylOxygenAtom",function(){return this.getWingAtom()});j(c$,"getInitiatorAtom",function(){return this.getNitrogenAtom()});j(c$,"getTerminatorAtom", function(){return this.getAtomFromOffsetIndex(JM.Monomer.have(this.offsets,4)?4:3)});e(c$,"hasOAtom",function(){return JM.Monomer.have(this.offsets,1)});j(c$,"isConnectedAfter",function(a){return null==a?!0:a.getCarbonylCarbonAtom().isBonded(this.getNitrogenAtom())},"JM.Monomer");j(c$,"findNearestAtomIndex",function(a,b,c,d,f){var g=c[0],h=this.getNitrogenAtom();d=E(d/2);1200>d&&(d=1200);if(0!=h.sZ){d=C(this.scaleToScreen(h.sZ,d));4>d&&(d=4);var e=this.getCarbonylCarbonAtom();f=E(f/2);1200>f&&(f= @@ -134,159 +135,159 @@ case "n":return this.getNitrogenAtom();case "p":case "P":return this.getCarbonyl 15==this.groupID)return null;g=new JU.V3;null==this.ptTemp&&(this.ptTemp=new JU.P3);this.getNHPoint(this.ptTemp,g,!0,!1);f.sub2(c,this.getNitrogenAtom());f.cross(g,f);(new JU.M3).setAA(JU.A4.newVA(f,-0.29670596)).rotate(g);d.cross(f,g);break;case "b":return this.getQuaternionAlpha("b");case "c":d.sub2(b,c);f.sub2(this.getNitrogenAtom(),c);break;case "p":case "x":if(this.monomerIndex==this.bioPolymer.monomerCount-1)return null;d.sub2(c,b);f.sub2(this.bioPolymer.monomers[this.monomerIndex+1].getNitrogenAtom(), b);break;case "q":if(this.monomerIndex==this.bioPolymer.monomerCount-1)return null;a=this.bioPolymer.monomers[this.monomerIndex+1];f.sub2(a.getLeadAtom(),a.getNitrogenAtom());d.sub2(c,b);break;default:return null}return JU.Quat.getQuaternionFrameV(d,f,g,!1)},"~S");j(c$,"getStructureId",function(){return null==this.proteinStructure||null==this.proteinStructure.structureID?"":this.proteinStructure.structureID});j(c$,"getProteinStructureTag",function(){if(null==this.proteinStructure||null==this.proteinStructure.structureID)return null; var a;a=JU.PT.formatStringI("%3N %3ID","N",this.proteinStructure.serialID);a=JU.PT.formatStringS(a,"ID",this.proteinStructure.structureID);this.proteinStructure.type===J.c.STR.SHEET&&(a+=JU.PT.formatStringI("%2SC","SC",this.proteinStructure.strandCount));return a});j(c$,"getBSSideChain",function(){var a=new JU.BS;this.setAtomBits(a);this.clear(a,this.getLeadAtom(),!0);this.clear(a,this.getCarbonylCarbonAtom(),!1);this.clear(a,this.getCarbonylOxygenAtom(),!1);this.clear(a,this.getNitrogenAtom(),!0); -return a});e(c$,"clear",function(a,b,c){if(null!=b&&(a.clear(b.i),c)){c=b.bonds;for(var d,f=c.length;0<=--f;)1==(d=c[f].getOtherAtom(b)).getElementNumber()&&a.clear(d.i)}},"JU.BS,JM.Atom,~B");B(c$,"CA",0,"O",1,"N",2,"C",3,"OT",4,"interestingAminoAtomIDs",F(-1,[2,-5,1,3,-65]),"beta",0.29670597283903605)});m("JM");q(["JM.AlphaPolymer"],"JM.AminoPolymer","JU.Measure $.P3 $.V3 J.c.STR JM.HBond JU.Logger".split(" "),function(){c$=v(function(){this.structureList=null;s(this,arguments)},JM,"AminoPolymer", -JM.AlphaPolymer);y(c$,function(a,b){H(this,JM.AminoPolymer,[a,b]);this.type=1;for(var c=0;cm?j:-1-j;n[2]=m}}if(null!=g)for(j= -0;2>j;j++)0<=h[j][1]&&this.addResidueHydrogenBond(a,b.monomers[h[j][1]].getCarbonylOxygenAtom(),b===this?c:-99,h[j][1],h[j][2]/1E3,g)},"JM.AminoMonomer,JM.BioPolymer,~N,JU.P3,JU.BS,JU.Lst,~A,~B");e(c$,"calcHbondEnergy",function(a,b,c,d){var f=c.getCarbonylOxygenAtom();if(null==f)return 0;var g=f.distanceSquared(a);if(0.25>g)return 0;f=f.distanceSquared(b);if(0.25>f)return 0;c=c.getCarbonylCarbonAtom();b=c.distanceSquared(b);if(0.25>b)return 0;c=c.distanceSquared(a);if(0.25>c)return 0;a=Math.sqrt(f); +c+g-f}},"~N,~S");j(c$,"calcRasmolHydrogenBonds",function(a,b,c,d,f,g,h,e){null==a&&(a=this);if(r(a,JM.AminoPolymer)){f=new JU.P3;for(var k=new JU.V3,l,p=null==g?s(2,3,0):null,j=1;jm?n:-1-n;j[2]=m}}if(null!=g)for(n= +0;2>n;n++)0<=h[n][1]&&this.addResidueHydrogenBond(a,b.monomers[h[n][1]].getCarbonylOxygenAtom(),b===this?c:-99,h[n][1],h[n][2]/1E3,g)},"JM.AminoMonomer,JM.BioPolymer,~N,JU.P3,JU.BS,JU.Lst,~A,~B");e(c$,"calcHbondEnergy",function(a,b,c,d){var f=c.getCarbonylOxygenAtom();if(null==f)return 0;var g=f.distanceSquared(a);if(0.25>g)return 0;f=f.distanceSquared(b);if(0.25>f)return 0;c=c.getCarbonylCarbonAtom();b=c.distanceSquared(b);if(0.25>b)return 0;c=c.distanceSquared(a);if(0.25>c)return 0;a=Math.sqrt(f); f=Math.sqrt(b);b=Math.sqrt(c);g=Math.sqrt(g);g=JM.HBond.getEnergy(a,f,b,g);return!(-500>g&&(!d||b>f&&3>=a))&&d||-9900>g?0:g},"JU.P3,JU.P3,JM.AminoMonomer,~B");e(c$,"addResidueHydrogenBond",function(a,b,c,d,f,g){switch(c-d){case 2:c=6144;break;case 3:c=8192;break;case 4:c=10240;break;case 5:c=12288;break;case -3:c=14336;break;case -4:c=16384;break;default:c=4096}g.addLast(new JM.HBond(a,b,c,1,0,f))},"JM.Atom,JM.Atom,~N,~N,~N,JU.Lst");j(c$,"calculateStructures",function(a){if(!a){null==this.structureList&& (this.structureList=this.model.ms.getStructureList());a=L(this.monomerCount,"\x00");for(var b=0;bf&&25>g?"4":"3":this.isSheet(g,f)?"s":this.isTurn(g,f)?"t":"n";JU.Logger.debugging&&JU.Logger.debug(0+this.monomers[0].chain.chainID+" aminopolymer:"+b+" "+d.getGroupParameter(1111490569)+","+c.getGroupParameter(1111490570)+" "+a[b])}for(b=0;b< this.monomerCount;++b)if("4"==a[b]){for(c=b+1;c=b+3&&this.addStructureProtected(J.c.STR.HELIX,null,0,0,b,c);b=c}for(b=0;b=b+3&&this.addStructureProtected(J.c.STR.HELIX,null,0,0,b,c);b=c}for(b=0;b=b+2&&this.addStructureProtected(J.c.STR.SHEET,null,0,0,b,c);b=c}for(b=0;b=b+2&&this.addStructureProtected(J.c.STR.TURN,null,0,0,b,c);b=c}}},"~B");e(c$,"isTurn",function(a,b){return JM.AminoPolymer.checkPhiPsi(this.structureList.get(J.c.STR.TURN),a,b)},"~N,~N");e(c$,"isSheet",function(a,b){return JM.AminoPolymer.checkPhiPsi(this.structureList.get(J.c.STR.SHEET),a,b)},"~N,~N");e(c$,"isHelix",function(a,b){return JM.AminoPolymer.checkPhiPsi(this.structureList.get(J.c.STR.HELIX),a,b)},"~N,~N");c$.checkPhiPsi=e(c$,"checkPhiPsi", -function(a,b,c){for(var d=0;d=a[d]&&c<=a[d+1]&&b>=a[d+2]&&b<=a[d+3])return!0;return!1},"~A,~N,~N");e(c$,"setStructureList",function(a){this.structureList=a},"java.util.Map");B(c$,"maxHbondAlphaDistance",9,"maxHbondAlphaDistance2",81,"minimumHbondDistance2",0.25)});m("JM");q(null,"JM.BioModelSet","java.lang.Boolean $.Character $.Float java.util.Hashtable JU.AU $.BS $.Lst $.PT $.SB J.api.Interface J.c.STR JM.Group JM.AlphaMonomer $.AminoPolymer $.BioResolver $.Monomer JS.T JU.BSUtil $.Escape $.Logger".split(" "), -function(){c$=v(function(){this.unitIdSets=this.ext=this.ms=this.vwr=null;s(this,arguments)},JM,"BioModelSet");e(c$,"getBioExt",function(){return null==this.ext?(this.ext=J.api.Interface.getInterface("JM.BioExt",this.vwr,"script")).set(this.vwr,this.vwr.ms):this.ext});e(c$,"set",function(a,b){this.vwr=a;this.ms=b;this.unitIdSets=null;null!=this.ext&&this.ext.set(a,b);return this},"JV.Viewer,JM.ModelSet");e(c$,"calcAllRasmolHydrogenBonds",function(a,b,c,d,f,g,h,e){var k=this.ms.am;if(null==c){var l= -a;null!=b&&!a.equals(b)&&(l=JU.BSUtil.copy(a)).or(b);for(var j=new JU.BS,p=new JU.BS,m=this.ms.am,w=this.ms.bo,x=this.ms.bondCount;0<=--x;){var t=w[x];0!=(t.order&28672)&&(l.get(t.atom1.i)?j.set(x):p.set(m[t.atom1.mi].trajectoryBaseIndex))}for(x=this.ms.mc;0<=--x;)m[x].isBioModel&&(m[x].hasRasmolHBonds=p.get(x));0<=j.nextSetBit(0)&&this.ms.deleteBonds(j,!1)}for(x=this.ms.mc;0<=--x;)k[x].isBioModel&&!this.ms.isTrajectorySubFrame(x)&&k[x].getRasmolHydrogenBonds(a,b,c,d,f,g,h,e)},"JU.BS,JU.BS,JU.Lst,~B,~N,~B,JU.BS,~N"); +function(a,b,c){for(var d=0;d=a[d]&&c<=a[d+1]&&b>=a[d+2]&&b<=a[d+3])return!0;return!1},"~A,~N,~N");e(c$,"setStructureList",function(a){this.structureList=a},"java.util.Map");A(c$,"maxHbondAlphaDistance",9,"maxHbondAlphaDistance2",81,"minimumHbondDistance2",0.25)});m("JM");q(null,"JM.BioModelSet","java.lang.Boolean $.Character $.Float java.util.Hashtable JU.AU $.BS $.Lst $.PT $.SB J.api.Interface J.c.STR JM.Group JM.AlphaMonomer $.AminoPolymer $.BioResolver $.Monomer JS.T JU.BSUtil $.Escape $.Logger".split(" "), +function(){c$=v(function(){this.unitIdSets=this.ext=this.ms=this.vwr=null;u(this,arguments)},JM,"BioModelSet");e(c$,"getBioExt",function(){return null==this.ext?(this.ext=J.api.Interface.getInterface("JM.BioExt",this.vwr,"script")).set(this.vwr,this.vwr.ms):this.ext});e(c$,"set",function(a,b){this.vwr=a;this.ms=b;this.unitIdSets=null;null!=this.ext&&this.ext.set(a,b);return this},"JV.Viewer,JM.ModelSet");e(c$,"calcAllRasmolHydrogenBonds",function(a,b,c,d,f,g,h,e){var k=this.ms.am;if(null==c){var l= +a;null!=b&&!a.equals(b)&&(l=JU.BSUtil.copy(a)).or(b);for(var j=new JU.BS,n=new JU.BS,m=this.ms.am,w=this.ms.bo,x=this.ms.bondCount;0<=--x;){var t=w[x];0!=(t.order&28672)&&(l.get(t.atom1.i)?j.set(x):n.set(m[t.atom1.mi].trajectoryBaseIndex))}for(x=this.ms.mc;0<=--x;)m[x].isBioModel&&(m[x].hasRasmolHBonds=n.get(x));0<=j.nextSetBit(0)&&this.ms.deleteBonds(j,!1)}for(x=this.ms.mc;0<=--x;)k[x].isBioModel&&!this.ms.isTrajectorySubFrame(x)&&k[x].getRasmolHydrogenBonds(a,b,c,d,f,g,h,e)},"JU.BS,JU.BS,JU.Lst,~B,~N,~B,JU.BS,~N"); e(c$,"calcSelectedMonomersCount",function(){for(var a=this.vwr.bsA(),b=this.ms.mc;0<=--b;)if(this.ms.am[b].isBioModel)for(var c=this.ms.am[b],d=c.bioPolymerCount;0<=--d;)c.bioPolymers[d].calcSelectedMonomersCount(a)});e(c$,"calculateAllPolymers",function(a,b,c,d){var f=!this.vwr.getBoolean(603979896);0>b&&(b=a.length);if(null!=d)for(var g=0;ga||d==a){var f=this.ms.getInfo(d,"hetNames");if(null!=f)for(var c=!0,g,f=f.entrySet().iterator();f.hasNext()&&((g=f.next())||1);){var h=g.getKey();b.put(h,g.getValue())}}return c?b:null},"~N");e(c$,"getAllPolymerInfo",function(a,b){this.getBioExt().getAllPolymerInfo(a,b)},"JU.BS,java.util.Map");e(c$,"getAllPolymerPointsAndVectors",function(a,b,c,d){for(var f=0;fg)return c;f=b.nextSetBit(0); -if(0>f)return c;g=0;switch(a){case 1094713362:for(g=f;0<=g;g=b.nextSetBit(g+1))0<=d[g].group.getBioPolymerIndexInModel()&&d[g].group.bioPolymer.setAtomBitsAndClear(c,b);break;case 1639976963:for(g=f;0<=g;g=b.nextSetBit(g+1))f=d[g].group.getStructure(),null!=f&&f.setAtomBitsAndClear(c,b)}0==g&&JU.Logger.error("MISSING getAtomBits entry for "+JS.T.nameOf(a));return c},"~N,JU.BS,JU.BS");e(c$,"getAtomBitsStr",function(a,b,c){switch(a){default:return new JU.BS;case 1073741925:return this.getAnnotationBits("domains", -1073741925,b);case 1073742189:return this.getAnnotationBits("validation",1073742189,b);case 1073742128:return this.getAnnotationBits("rna3d",1073742128,b);case 1073741863:return c=new JU.BS,0!=b.length%2?c:this.ms.getAtomBitsMDa(1086324742,this.getAllBasePairBits(b),c);case 1111490587:return this.getAnnotationBits("dssr",1111490587,b);case 1086324744:return this.getAllSequenceBits(b,null,c)}},"~N,~S,JU.BS");e(c$,"getBioPolymerCountInModel",function(a){if(0>a){a=0;for(var b=this.ms.mc;0<=--b;)!this.ms.isTrajectorySubFrame(b)&& -this.ms.am[b].isBioModel&&(a+=this.ms.am[b].getBioPolymerCount());return a}return this.ms.isTrajectorySubFrame(a)||!this.ms.am[a].isBioModel?0:this.ms.am[a].getBioPolymerCount()},"~N");e(c$,"getFullProteinStructureState",function(a,b){var c=1073742327==b;if(c&&!this.ms.proteinStructureTainted)return"";var d=1073742158==b||1073742327==b,f=this.ms.at,g=null==a?0:a.nextSetBit(0);if(0>g)return"";if(null!=a&&4138==b){a=JU.BSUtil.copy(a);for(var h=this.ms.ac;0<=--h;)(Float.isNaN(f[h].group.getGroupParameter(1111490569))|| -Float.isNaN(f[h].group.getGroupParameter(1111490570)))&&a.clear(h)}for(var e=(null==a?this.ms.ac:a.length())-1,k=f[g].mi,g=f[e].mi,e=new JU.Lst,l=new java.util.Hashtable,j=new JU.SB;k<=g;k++)if(this.ms.am[k].isBioModel&&(h=this.ms.am[k],!c||h.structureTainted)){var p=new JU.BS;p.or(h.bsAtoms);p.andNot(h.bsAtomsDeleted);h=p.nextSetBit(0);if(!(0>h)){d&&j.append(" structure none ").append(JU.Escape.eBS(this.ms.getModelAtomBitSetIncludingDeleted(k,!1))).append(" \t# model="+this.ms.getModelNumberDotted(k)).append(";\n"); -for(var m;0<=h;h=p.nextSetBit(h+1)){var w=f[h];if(r(w.group,JM.AlphaMonomer)&&!(null==(m=w.group.proteinStructure)||l.containsKey(m)))e.addLast(m),l.put(m,Boolean.TRUE)}}}this.getStructureLines(a,j,e,J.c.STR.HELIX,d,b);this.getStructureLines(a,j,e,J.c.STR.SHEET,d,b);this.getStructureLines(a,j,e,J.c.STR.TURN,d,b);return j.toString()},"JU.BS,~N");e(c$,"getGroupsWithinAll",function(a,b){for(var c=new JU.BS,d=this.ms.getIterativeModels(!1),f=this.ms.mc;0<=--f;)if(d.get(f)&&this.ms.am[f].isBioModel)for(var g= -this.ms.am[f],h=g.bioPolymerCount;0<=--h;)g.bioPolymers[h].getRangeGroups(a,b,c);return c},"~N,JU.BS");e(c$,"getIdentifierOrNull",function(a){for(var b=a.length,c=0;c=b)return d;if(c!=b-1)return null;d.and(this.ms.getChainBits(a.charCodeAt(c)));return d},"~S");e(c$,"mutate",function(a,b,c){return this.getBioExt().mutate(this.vwr,a,b,c)},"JU.BS,~S,~A");e(c$,"recalculateAllPolymers",function(a,b){for(var c=0;ca)for(a=this.ms.mc;0<=--a;)!this.ms.isTrajectorySubFrame(a)&&this.ms.am[a].isBioModel&&this.ms.am[a].recalculateLeadMidpointsAndWingVectors();else!this.ms.isTrajectorySubFrame(a)&&this.ms.am[a].isBioModel&&this.ms.am[a].recalculateLeadMidpointsAndWingVectors()},"~N");e(c$,"setAllConformation",function(a){for(var b=this.ms.getModelBS(a,!1),c=b.nextSetBit(0);0<=c;c=b.nextSetBit(c+1))if(this.ms.am[c].isBioModel){var d= -this.ms.am[c];if(0d&&d>c[k]&&(c[k]=d),e=j.lastAtomIndex)):e=h[k].firstAtomIndex+h[k].act-1;for(e=0;eb.nextSetBit(0)||(c=this.ms.getSequenceBits(a.substring(f,++f),null,new JU.BS),0>c.nextSetBit(0)||this.calcAllRasmolHydrogenBonds(b, -c,d,!0,1,!1,null,0));a=new JU.BS;for(f=d.size();0<=--f;)b=d.get(f),a.set(b.atom1.i),a.set(b.atom2.i);return a},"~S");e(c$,"getAllUnitIds",function(a,b,c){var d=this.unitIdSets;if(null==d){for(var d=this.unitIdSets=Array(7),f=0;7>f;f++)d[f]=new java.util.Hashtable;for(f=this.ms.mc;0<=--f;){var g=this.ms.am[f];if(g.isBioModel){this.ms.isTrajectory(f)&&(g=this.ms.am[f=g.trajectoryBaseIndex]);var e="|"+this.ms.getInfo(f,"modelNumber");this.checkMap(d[0],this.ms.getInfo(f,"modelName")+e,g.bsAtoms);this.checkMap(d[0], -e,g.bsAtoms)}}}var e=g=null,j=new JU.BS;a=JU.PT.getTokens(JU.PT.replaceAllCharacters(a,', \t\n[]"='," "));for(var k=u(8,0),f=a.length;0<=--f;){var l=a[f]+"|";if(!(5>l.length)){for(var n=0,p=0,m=0,w=l.lastIndexOf("|")+1;pm;p++)"|"==l.charAt(p)?k[m++]=p:n|=1<c.nextSetBit(0))){var f=new JU.BS;if(c===this.bsAtoms)f=c;else for(d=0;dthis.modelIndex)return"";var a=this.auxiliaryInfo.get("fileHeader");return null!=a?a:this.ms.bioModelset.getBioExt().getFullPDBHeader(this.auxiliaryInfo)});e(c$,"getPdbData",function(a,b,c,d,f,g,e,j){this.ms.bioModelset.getBioExt().getPdbDataM(this,this.vwr,a,b,c,d,f,g,e,j)},"~S,~S,~B,JU.BS,JU.OC,~A,JU.SB,JU.BS");e(c$, -"getRasmolHydrogenBonds",function(a,b,c,d,f,g,e,j){var k=null==c;k&&(c=new JU.Lst);0>f&&(f=2147483647);var l;if(null==b&&0a;a++)b.append(",[").append(JM.BioResolver.predefinedGroup3Names[a]).append("]");b.append(",[AHR],[ALL],[AMU],[ARA],[ARB],[BDF],[BDR],[BGC],[BMA],[FCA],[FCB],[FRU],[FUC],[FUL],[GAL],[GLA],[GLC],[GXL],[GUP],[LXC],[MAN],[RAM],[RIB],[RIP],[XYP],[XYS],[CBI],[CT3],[CTR],[CTT],[LAT],[MAB],[MAL],[MLR],[MTT],[SUC],[TRE],[GCU],[MTL],[NAG],[NDG],[RHA],[SOR],[SOL],[SOE],[XYL],[A2G],[LBT],[NGA],[SIA],[SLB],[AFL],[AGC],[GLB],[NAN],[RAA]"); -JM.BioResolver.group3Count=E(b.length()/6);JM.Group.standardGroupList=b.toString();a=0;for(b=JM.BioResolver.predefinedGroup3Names.length;a=d;--k){var l=e[k].atomID;0>=l||(14>l&&(j|=1<f?-1:f+c;f=null;b=this.ml.getFirstAtomIndex(b);var g=this.ms.ac;if(0>c){if(1==g-b)return;f=this.vwr.getLigandModel(d,"ligand_","_data",null);if(null==f)return;c=a.getHydrogenAtomCount(f);if(1>c)return}this.getBondInfo(a,d,f);this.ms.am[this.ms.at[b].mi].isPdbWithMultipleBonds=!0;this.bsAtomsForHs.setBits(b,g);this.bsAddedHydrogens.setBits(g,g+c);a=this.ms.at[b].isHetero();d=JU.P3.new3(NaN,NaN,NaN);b=this.ms.at[b];for(f=0;fa[0].compareTo(b[0])?-1:0a[3].compareTo(b[3])?-1:0a[1].compareTo(b[1])?-1:0this.bsAddedHydrogens.nextSetBit(0))){this.bsAddedMask= -JU.BSUtil.copy(this.bsAddedHydrogens);this.finalizePdbCharges();for(var a=u(1,0),a=this.ms.calculateHydrogens(this.bsAtomsForHs,a,!0,!1,null),b=null,c=0,d=0;d -j?(JU.Logger.info("Error adding H atoms to "+e+g.getResno()+": expected to only need 1 H but needed 2"),f=g="H"):0>l?(g=k.substring(0,j),f=k.substring(j+1)):(f=k.substring(0,j),g=k.substring(j+1));this.setHydrogen(d,++c,f,a[d][0]);this.setHydrogen(d,++c,g,a[d][1]);break;case 3:f=k.indexOf("|"),0<=f?(g=k.lastIndexOf("|"),this.hNames[0]=k.substring(0,f),this.hNames[1]=k.substring(f+1,g),this.hNames[2]=k.substring(g+1)):(this.hNames[0]=k.$replace("?","1"),this.hNames[1]=k.$replace("?","2"),this.hNames[2]= -k.$replace("?","3")),this.setHydrogen(d,++c,this.hNames[0],a[d][0]),this.setHydrogen(d,++c,this.hNames[1],a[d][2]),this.setHydrogen(d,++c,this.hNames[2],a[d][1])}}}this.deleteUnneededAtoms();this.ms.fixFormalCharges(JU.BSUtil.newBitSet2(this.ml.baseAtomIndex,this.ml.ms.ac))}});e(c$,"deleteUnneededAtoms",function(){for(var a=new JU.BS,b=this.bsAtomsForHs.nextSetBit(0);0<=b;b=this.bsAtomsForHs.nextSetBit(b+1)){var c=this.ms.at[b];if(c.isHetero()&&!(8!=c.getElementNumber()||0!=c.getFormalCharge()||2!= -c.getCovalentBondCount())){var d=c.bonds,f=d[0].getOtherAtom(c),c=d[1].getOtherAtom(c);1==f.getElementNumber()&&(d=f,f=c,c=d);if(1==c.getElementNumber())for(var d=f.bonds,g=0;g=this.ml.baseAtomIndex&&(f.firstAtomIndex=b[f.firstAtomIndex],f.lastAtomIndex=b[f.lastAtomIndex],0<=f.leadAtomIndex&&(f.leadAtomIndex=b[f.leadAtomIndex]));this.ms.adjustAtomArrays(c,this.ml.baseAtomIndex, -d);this.ms.calcBoundBoxDimensions(null,1);this.ms.resetMolecules();this.ms.validateBspf(!1);this.bsAddedMask=JU.BSUtil.deleteBits(this.bsAddedMask,a);for(e=this.ml.baseModelIndex;e(b=this.bsAtomsForHs.nextClearBit(b+1)))break}});e(c$,"finalizePdbMultipleBonds",function(){for(var a=new java.util.Hashtable,b=this.ms.bondCount,c=this.ms.bo,d=this.baseBondIndex;dj.indexOf(":"))a.put(j,Boolean.TRUE);else{var k=this.htBondMap.get(j);JU.Logger.info("bond "+j+" was not used; order="+k);this.htBondMap.get(j).equals("1")&&a.put(j, -Boolean.TRUE)}h=new java.util.Hashtable;for(d=this.htBondMap.keySet().iterator();d.hasNext()&&((j=d.next())||1);)null==a.get(j)&&h.put(j.substring(0,j.lastIndexOf(":")),this.htBondMap.get(j));if(!h.isEmpty())for(d=0;de)return null;c=Array(e);for(h=0;hc;c++)null!=(n=j[p=JM.BioResolver.mytypes[c]])&&k.addStructureByBS(0,p,JM.BioResolver.types[c],n)}else{var j=a.getStartChainID(),m=a.getStartSequenceNumber(),w=a.getStartInsertionCode();p=a.getEndSequenceNumber();n=a.getEndChainID();a= -a.getEndInsertionCode();b=b===J.c.STR.NOT?J.c.STR.NONE:b;m=JM.Group.getSeqcodeFor(m,w);p=JM.Group.getSeqcodeFor(p,a);null==this.bsAssigned&&(this.bsAssigned=new JU.BS);a=k;for(w=0;a<=h;a++)if(r(k=l[a],JM.BioModel))k.addSecondaryStructure(b,c,d,f,j,m,n,p,(w=k.firstAtomIndex)+e[0],w+e[1],this.bsAssigned)}},"J.api.JmolAdapterStructureIterator");e(c$,"setGroupLists",function(a){this.ml.group3Lists[a+1]=JM.Group.standardGroupList;this.ml.group3Counts[a+1]=u(JM.BioResolver.group3Count+10,0);null==this.ml.group3Lists[0]&& -(this.ml.group3Lists[0]=JM.Group.standardGroupList,this.ml.group3Counts[0]=u(JM.BioResolver.group3Count+10,0))},"~N");e(c$,"isKnownPDBGroup",function(a,b){var c=JM.BioResolver.knownGroupID(a);return 0c||c>JM.BioResolver.pdbBondInfo.length)return null;var d=JM.BioResolver.pdbBondInfo[c];if(b&&0<=(c=d.indexOf("O3'")))d=d.substring(0,c);for(var f= -JU.PT.getTokens(d),c=Array(E(f.length/2)),e=0,h=0;ea||42<=E(a/6)+1},"~S");e(c$,"toStdAmino3",function(a){if(0==a.length)return"";var b=new JU.SB,c=JM.BioResolver.knownGroupID("==A");if(0>c)for(var d=1;20>=d;d++)c=JM.BioResolver.knownGroupID(JM.BioResolver.predefinedGroup3Names[d]),JM.BioResolver.htGroup.put("=="+JM.BioResolver.predefinedGroup1Names[d],Short.$valueOf(c));for(var d= -0,f=a.length;dc&&(c=23),b.append(" ").append(JM.BioResolver.predefinedGroup3Names[c]);return b.toString().substring(1)},"~S");e(c$,"getGroupID",function(a){return JM.BioResolver.getGroupIdFor(a)},"~S");c$.getGroupIdFor=e(c$,"getGroupIdFor",function(a){null!=a&&(a=a.trim());var b=JM.BioResolver.knownGroupID(a);return-1==b?JM.BioResolver.addGroup3Name(a):b},"~S");c$.addGroup3Name=e(c$,"addGroup3Name",function(a){JM.BioResolver.group3NameCount== +h,b,c)}return c},"~S,JU.BS,JU.BS");e(c$,"getAtomBitsBS",function(a,b,c){var d=this.ms.at,f=this.ms.ac,g=0,h;switch(a){case 136314895:case 2097184:for(var e=136314895==a?J.c.STR.HELIX:J.c.STR.SHEET,g=f;0<=--g;)null!=d[g]&&((h=d[g].group).isWithinStructure(e)&&h.setAtomBits(c),g=h.firstAtomIndex);break;case 2097188:for(g=f;0<=--g;)null!=d[g]&&((h=d[g].group).isCarbohydrate()&&h.setAtomBits(c),g=h.firstAtomIndex);break;case 2097156:for(g=f;0<=--g;)null!=d[g]&&((h=d[g].group).isDna()&&h.setAtomBits(c), +g=h.firstAtomIndex);break;case 2097166:for(g=f;0<=--g;)null!=d[g]&&((h=d[g].group).isNucleic()&&h.setAtomBits(c),g=h.firstAtomIndex);break;case 2097168:for(g=f;0<=--g;)null!=d[g]&&((h=d[g].group).isProtein()&&h.setAtomBits(c),g=h.firstAtomIndex);break;case 2097170:for(g=f;0<=--g;)null!=d[g]&&((h=d[g].group).isPurine()&&h.setAtomBits(c),g=h.firstAtomIndex);break;case 2097172:for(g=f;0<=--g;)null!=d[g]&&((h=d[g].group).isPyrimidine()&&h.setAtomBits(c),g=h.firstAtomIndex);break;case 2097174:for(g=f;0<= +--g;)null!=d[g]&&((h=d[g].group).isRna()&&h.setAtomBits(c),g=h.firstAtomIndex)}if(0>g)return c;f=b.nextSetBit(0);if(0>f)return c;g=0;switch(a){case 1094713362:for(g=f;0<=g;g=b.nextSetBit(g+1))0<=d[g].group.getBioPolymerIndexInModel()&&d[g].group.bioPolymer.setAtomBitsAndClear(c,b);break;case 1639976963:for(g=f;0<=g;g=b.nextSetBit(g+1))f=d[g].group.getStructure(),null!=f&&f.setAtomBitsAndClear(c,b)}0==g&&JU.Logger.error("MISSING getAtomBits entry for "+JS.T.nameOf(a));return c},"~N,JU.BS,JU.BS");e(c$, +"getAtomBitsStr",function(a,b,c){switch(a){default:return new JU.BS;case 1073741925:return this.getAnnotationBits("domains",1073741925,b);case 1073742189:return this.getAnnotationBits("validation",1073742189,b);case 1073742128:return this.getAnnotationBits("rna3d",1073742128,b);case 1073741863:return c=new JU.BS,0!=b.length%2?c:this.ms.getAtomBitsMDa(1086324742,this.getAllBasePairBits(b),c);case 1111490587:return this.getAnnotationBits("dssr",1111490587,b);case 1086324744:return this.getAllSequenceBits(b, +null,c)}},"~N,~S,JU.BS");e(c$,"getBioPolymerCountInModel",function(a){if(0>a){a=0;for(var b=this.ms.mc;0<=--b;)!this.ms.isTrajectorySubFrame(b)&&this.ms.am[b].isBioModel&&(a+=this.ms.am[b].getBioPolymerCount());return a}return this.ms.isTrajectorySubFrame(a)||!this.ms.am[a].isBioModel?0:this.ms.am[a].getBioPolymerCount()},"~N");e(c$,"getFullProteinStructureState",function(a,b){var c=1073742327==b;if(c&&!this.ms.proteinStructureTainted)return"";var d=1073742158==b||1073742327==b,f=this.ms.at,g=null== +a?0:a.nextSetBit(0);if(0>g)return"";if(null!=a&&4138==b){a=JU.BSUtil.copy(a);for(var h=this.ms.ac;0<=--h;)(null==f[h]||Float.isNaN(f[h].group.getGroupParameter(1111490569))||Float.isNaN(f[h].group.getGroupParameter(1111490570)))&&a.clear(h)}for(var e=(null==a?this.ms.ac:a.length())-1,k=f[g].mi,g=f[e].mi,e=new JU.Lst,l=new java.util.Hashtable,j=new JU.SB;k<=g;k++)if(this.ms.am[k].isBioModel&&(h=this.ms.am[k],!c||h.structureTainted)){var n=new JU.BS;n.or(h.bsAtoms);n.andNot(h.bsAtomsDeleted);h=n.nextSetBit(0); +if(!(0>h)){d&&j.append(" structure none ").append(JU.Escape.eBS(this.ms.getModelAtomBitSetIncludingDeleted(k,!1))).append(" \t# model="+this.ms.getModelNumberDotted(k)).append(";\n");for(var m;0<=h;h=n.nextSetBit(h+1)){var w=f[h];if(r(w.group,JM.AlphaMonomer)&&!(null==(m=w.group.proteinStructure)||l.containsKey(m)))e.addLast(m),l.put(m,Boolean.TRUE)}}}this.getStructureLines(a,j,e,J.c.STR.HELIX,d,b);this.getStructureLines(a,j,e,J.c.STR.SHEET,d,b);this.getStructureLines(a,j,e,J.c.STR.TURN,d,b); +return j.toString()},"JU.BS,~N");e(c$,"getGroupsWithinAll",function(a,b){for(var c=new JU.BS,d=this.ms.getIterativeModels(!1),f=this.ms.mc;0<=--f;)if(d.get(f)&&this.ms.am[f].isBioModel)for(var g=this.ms.am[f],h=g.bioPolymerCount;0<=--h;)g.bioPolymers[h].getRangeGroups(a,b,c);return c},"~N,JU.BS");e(c$,"getIdentifierOrNull",function(a){for(var b=a.length,c=0;c=b)return d;if(c!=b-1)return null;d.and(this.ms.getChainBits(a.charCodeAt(c)));return d},"~S");e(c$, +"mutate",function(a,b,c){return this.getBioExt().mutate(this.vwr,a,b,c)},"JU.BS,~S,~A");e(c$,"recalculateAllPolymers",function(a,b){for(var c=0;ca)for(a=this.ms.mc;0<=--a;)!this.ms.isTrajectorySubFrame(a)&&this.ms.am[a].isBioModel&&this.ms.am[a].recalculateLeadMidpointsAndWingVectors();else!this.ms.isTrajectorySubFrame(a)&& +this.ms.am[a].isBioModel&&this.ms.am[a].recalculateLeadMidpointsAndWingVectors()},"~N");e(c$,"setAllConformation",function(a){for(var b=this.ms.getModelBS(a,!1),c=b.nextSetBit(0);0<=c;c=b.nextSetBit(c+1))if(this.ms.am[c].isBioModel){var d=this.ms.am[c];if(0d&&d>c[k]&&(c[k]=d),e=l.lastAtomIndex)):e=h[k].firstAtomIndex+h[k].act-1);for(e=0;eb.nextSetBit(0)||(c=this.ms.getSequenceBits(a.substring(f,++f),null,new JU.BS),0>c.nextSetBit(0)||this.calcAllRasmolHydrogenBonds(b,c,d,!0,1,!1,null,0));a=new JU.BS;for(f=d.size();0<=--f;)b=d.get(f),a.set(b.atom1.i),a.set(b.atom2.i);return a},"~S");e(c$,"getAllUnitIds",function(a,b,c){var d=this.unitIdSets;if(null== +d){for(var d=this.unitIdSets=Array(7),f=0;7>f;f++)d[f]=new java.util.Hashtable;for(f=this.ms.mc;0<=--f;){var g=this.ms.am[f];if(g.isBioModel){this.ms.isTrajectory(f)&&(g=this.ms.am[f=g.trajectoryBaseIndex]);var e="|"+this.ms.getInfo(f,"modelNumber");this.checkMap(d[0],this.ms.getInfo(f,"modelName")+e,g.bsAtoms);this.checkMap(d[0],e,g.bsAtoms)}}}var e=g=null,j=new JU.BS;a=JU.PT.getTokens(JU.PT.replaceAllCharacters(a,', \t\n[]"='," "));for(var k=s(8,0),f=a.length;0<=--f;){var l=a[f]+"|";if(!(5>l.length)){for(var p= +0,n=0,m=0,w=l.lastIndexOf("|")+1;nm;n++)"|"==l.charAt(n)?k[m++]=n:p|=1<c.nextSetBit(0))){var f=new JU.BS;if(c===this.bsAtoms)f=c;else for(d=0;dthis.modelIndex)return""; +var a=this.auxiliaryInfo.get("fileHeader");return null!=a?a:this.ms.bioModelset.getBioExt().getFullPDBHeader(this.auxiliaryInfo)});e(c$,"getPdbData",function(a,b,c,d,f,g,e,j){this.ms.bioModelset.getBioExt().getPdbDataM(this,this.vwr,a,b,c,d,f,g,e,j)},"~S,~S,~B,JU.BS,JU.OC,~A,JU.SB,JU.BS");e(c$,"getRasmolHydrogenBonds",function(a,b,c,d,f,g,e,j){var k=null==c;k&&(c=new JU.Lst);0>f&&(f=2147483647);var l;if(null==b&&0a;a++)b.append(",[").append(JM.BioResolver.predefinedGroup3Names[a]).append("]"); +b.append(",[AHR],[ALL],[AMU],[ARA],[ARB],[BDF],[BDR],[BGC],[BMA],[FCA],[FCB],[FRU],[FUC],[FUL],[GAL],[GLA],[GLC],[GXL],[GUP],[LXC],[MAN],[RAM],[RIB],[RIP],[XYP],[XYS],[CBI],[CT3],[CTR],[CTT],[LAT],[MAB],[MAL],[MLR],[MTT],[SUC],[TRE],[GCU],[MTL],[NAG],[NDG],[RHA],[SOR],[SOL],[SOE],[XYL],[A2G],[LBT],[NGA],[SIA],[SLB],[AFL],[AGC],[GLB],[NAN],[RAA]");JM.BioResolver.group3Count=E(b.length()/6);JM.Group.standardGroupList=b.toString();a=0;for(b=JM.BioResolver.predefinedGroup3Names.length;a=d;--k){var l=e[k].atomID;0>=l||(14>l&&(j|=1<f?-1:f+c;f=null;b=this.ml.getFirstAtomIndex(b);var g=this.ms.ac;if(0>c){if(1==g-b)return;f=this.vwr.getLigandModel(d,"ligand_","_data",null);if(null==f)return;c=a.getHydrogenAtomCount(f);if(1>c)return}this.getBondInfo(a, +d,f);this.ms.am[this.ms.at[b].mi].isPdbWithMultipleBonds=!0;if(!this.haveHsAlready){this.bsAtomsForHs.setBits(b,g);this.bsAddedHydrogens.setBits(g,g+c);a=this.ms.at[b].isHetero();d=JU.P3.new3(NaN,NaN,NaN);b=this.ms.at[b];for(f=0;fa[0].compareTo(b[0])?-1:0a[3].compareTo(b[3])?-1:0a[1].compareTo(b[1])?-1:0this.bsAddedHydrogens.nextSetBit(0))){this.bsAddedMask=JU.BSUtil.copy(this.bsAddedHydrogens);this.finalizePdbCharges();for(var a=s(1,0),a=this.ms.calculateHydrogens(this.bsAtomsForHs,a,null,256),b=null,c=0,d,f=0;f< +a.length;f++)if(!(null==a[f]||null==(d=this.ms.at[f]))){var g=d.group;if(g!==b){b=g;for(c=g.lastAtomIndex;this.bsAddedHydrogens.get(c);)c--}var e=d.getGroup3(!1),j=d.getAtomName(),k=this.htBondMap.get(e+"."+j);if(null!=k){var l=k.contains("@"),p=k.endsWith("?")||0<=k.indexOf("|"),n=a[f].length;3==n&&(!p&&k.equals("H@H2"))&&(k="H|H2|H3",p=!0,l=!1);if(l&&3==n||p!=(3==n))JU.Logger.info("Error adding H atoms to "+e+g.getResno()+": "+a[f].length+" atoms should not be added to "+j);else switch(j=k.indexOf("@"), +a[f].length){case 1:0j?(JU.Logger.info("Error adding H atoms to "+e+g.getResno()+": expected to only need 1 H but needed 2"),g=e="H"):0>l?(e=k.substring(0,j),g=k.substring(j+1)): +(g=k.substring(0,j),e=k.substring(j+1));this.setHydrogen(f,++c,g,a[f][0]);this.setHydrogen(f,++c,e,a[f][1]);break;case 3:g=k.indexOf("|"),0<=g?(e=k.lastIndexOf("|"),this.hNames[0]=k.substring(0,g),this.hNames[1]=k.substring(g+1,e),this.hNames[2]=k.substring(e+1)):(this.hNames[0]=k.$replace("?","1"),this.hNames[1]=k.$replace("?","2"),this.hNames[2]=k.$replace("?","3")),this.setHydrogen(f,++c,this.hNames[0],a[f][0]),this.setHydrogen(f,++c,this.hNames[1],a[f][2]),this.setHydrogen(f,++c,this.hNames[2], +a[f][1])}}}this.deleteUnneededAtoms();this.ms.fixFormalCharges(JU.BSUtil.newBitSet2(this.ml.baseAtomIndex,this.ml.ms.ac))}});e(c$,"deleteUnneededAtoms",function(){for(var a=new JU.BS,b=this.bsAtomsForHs.nextSetBit(0);0<=b;b=this.bsAtomsForHs.nextSetBit(b+1)){var c=this.ms.at[b];if(c.isHetero()&&!(8!=c.getElementNumber()||0!=c.getFormalCharge()||2!=c.getCovalentBondCount())){var d=c.bonds,f=d[0].getOtherAtom(c),c=d[1].getOtherAtom(c);1==f.getElementNumber()&&(d=f,f=c,c=d);if(1==c.getElementNumber())for(var d= +f.bonds,g=0;g=this.ml.baseAtomIndex&&(f.firstAtomIndex=b[f.firstAtomIndex],f.lastAtomIndex=b[f.lastAtomIndex],0<=f.leadAtomIndex&&(f.leadAtomIndex=b[f.leadAtomIndex]));this.ms.adjustAtomArrays(c,this.ml.baseAtomIndex,d);this.ms.calcBoundBoxDimensions(null,1);this.ms.resetMolecules();this.ms.validateBspf(!1);this.bsAddedMask=JU.BSUtil.deleteBits(this.bsAddedMask, +a);for(e=this.ml.baseModelIndex;e(b=this.bsAtomsForHs.nextClearBit(b+1)))break}});e(c$,"finalizePdbMultipleBonds",function(){for(var a=new java.util.Hashtable,b=this.ms.bondCount,c=this.ms.bo,d=this.baseBondIndex;dj.indexOf(":"))a.put(j,Boolean.TRUE);else{var k=this.htBondMap.get(j);JU.Logger.info("bond "+j+" was not used; order="+k);this.htBondMap.get(j).equals("1")&&a.put(j,Boolean.TRUE)}h=new java.util.Hashtable;for(d=this.htBondMap.keySet().iterator();d.hasNext()&&((j=d.next())||1);)null==a.get(j)&&h.put(j.substring(0, +j.lastIndexOf(":")),this.htBondMap.get(j));if(!h.isEmpty())for(d=0;de)return null;c=Array(e);for(h=0;hc;c++)null!=(p=j[n=JM.BioResolver.mytypes[c]])&&k.addStructureByBS(0,n,JM.BioResolver.types[c],p)}else{var j=a.getStartChainID(),m=a.getStartSequenceNumber(),w=a.getStartInsertionCode();n=a.getEndSequenceNumber();p=a.getEndChainID();a=a.getEndInsertionCode();b=b===J.c.STR.NOT?J.c.STR.NONE:b;m=JM.Group.getSeqcodeFor(m,w);n=JM.Group.getSeqcodeFor(n,a);null==this.bsAssigned&&(this.bsAssigned=new JU.BS);a=k;for(w=0;a<=h;a++)if(r(k= +l[a],JM.BioModel))k.addSecondaryStructure(b,c,d,f,j,m,p,n,(w=k.firstAtomIndex)+e[0],w+e[1],this.bsAssigned)}},"J.api.JmolAdapterStructureIterator");e(c$,"setGroupLists",function(a){this.ml.group3Lists[a+1]=JM.Group.standardGroupList;this.ml.group3Counts[a+1]=s(JM.BioResolver.group3Count+10,0);null==this.ml.group3Lists[0]&&(this.ml.group3Lists[0]=JM.Group.standardGroupList,this.ml.group3Counts[0]=s(JM.BioResolver.group3Count+10,0))},"~N");e(c$,"isKnownPDBGroup",function(a,b){var c=JM.BioResolver.knownGroupID(a); +return 0c||c>JM.BioResolver.pdbBondInfo.length)return null;var d=JM.BioResolver.pdbBondInfo[c];if(b&&0<=(c=d.indexOf("O3'")))d=d.substring(0,c);for(var f=JU.PT.getTokens(d),c=Array(E(f.length/2)),e=0,h=0;ea||42<=E(a/6)+1},"~S");e(c$,"toStdAmino3",function(a){if(0==a.length)return"";var b=new JU.SB,c=JM.BioResolver.knownGroupID("==A");if(0>c)for(var d=1;20>=d;d++)c=JM.BioResolver.knownGroupID(JM.BioResolver.predefinedGroup3Names[d]),JM.BioResolver.htGroup.put("=="+JM.BioResolver.predefinedGroup1Names[d],Short.$valueOf(c)); +for(var d=0,f=a.length;dc&&(c=23),b.append(" ").append(JM.BioResolver.predefinedGroup3Names[c]);return b.toString().substring(1)},"~S");e(c$,"getGroupID",function(a){return JM.BioResolver.getGroupIdFor(a)},"~S");c$.getGroupIdFor=e(c$,"getGroupIdFor",function(a){null!=a&&(a=a.trim());var b=JM.BioResolver.knownGroupID(a);return-1==b?JM.BioResolver.addGroup3Name(a):b},"~S");c$.addGroup3Name=e(c$,"addGroup3Name",function(a){JM.BioResolver.group3NameCount== JM.Group.group3Names.length&&(JM.Group.group3Names=JU.AU.doubleLengthS(JM.Group.group3Names));var b=JM.BioResolver.group3NameCount++;JM.Group.group3Names[b]=a;JM.BioResolver.htGroup.put(a,Short.$valueOf(b));return b},"~S");c$.getStandardPdbHydrogenCount=e(c$,"getStandardPdbHydrogenCount",function(a){a=JM.BioResolver.knownGroupID(a);return 0>a||a>=JM.BioResolver.pdbHydrogenCount.length?-1:JM.BioResolver.pdbHydrogenCount[a]},"~S");c$.getSpecialAtomName=e(c$,"getSpecialAtomName",function(a){return JM.BioResolver.specialAtomNames[a]}, -"~N");e(c$,"getArgbs",function(a){switch(a){case 2097166:return JM.BioResolver.argbsNucleic;case 2097154:return JM.BioResolver.argbsAmino;case 1073742144:return JM.BioResolver.argbsShapely;case 1140850689:return JM.BioResolver.argbsChainAtom;case 1612709894:return JM.BioResolver.argbsChainHetero}return null},"~N");c$.htGroup=c$.prototype.htGroup=new java.util.Hashtable;c$.types=c$.prototype.types=D(-1,[J.c.STR.HELIXPI,J.c.STR.HELIXALPHA,J.c.STR.SHEET,J.c.STR.HELIX310,J.c.STR.TURN]);B(c$,"mytypes", -u(-1,[0,2,3,4,6]),"htPdbBondInfo",null,"pdbBondInfo",D(-1,";N N CA HA C O CB HB?;N N CA HA C O CB B CG G CD D NE HE CZ NH1 NH1 HH11@HH12 NH2 HH22@HH21;N N CA HA C O CB B CG OD1 ND2 HD21@HD22;N N CA HA C O CB B CG OD1;N N CA HA C O CB B SG HG;N N CA HA C O CB B CG G CD OE1 NE2 HE22@HE21;N N CA HA C O CB B CG G CD OE1;N N CA HA2@HA3 C O;N N CA HA C O CB B CG CD2 ND1 CE1 ND1 HD1 CD2 HD2 CE1 HE1 NE2 HE2;N N CA HA C O CB HB CG1 HG13@HG12 CG2 HG2? CD1 HD1?;N N CA HA C O CB B CG HG CD1 HD1? CD2 HD2?;N N CA HA C O CB B CG G CD HD2@HD3 CE HE3@HE2 NZ HZ?;N N CA HA C O CB B CG G CE HE?;N N CA HA C O CB B CG CD1 CD1 HD1 CD2 CE2 CD2 HD2 CE1 CZ CE1 HE1 CE2 HE2 CZ HZ;N H CA HA C O CB B CG G CD D;N N CA HA C O CB B OG HG;N N CA HA C O CB HB OG1 HG1 CG2 HG2?;N N CA HA C O CB B CG CD1 CD1 HD1 CD2 CE2 NE1 HE1 CE3 CZ3 CE3 HE3 CZ2 CH2 CZ2 HZ2 CZ3 HZ3 CH2 HH2;N N CA HA C O CB B CG CD1 CD1 HD1 CD2 CE2 CD2 HD2 CE1 CZ CE1 HE1 CE2 HE2 OH HH;N N CA HA C O CB HB CG1 HG1? CG2 HG2?;N N CA HA C O CB B;N N CA HA C O CB B CG G;;P OP1 C5' 5 C4' H4' C3' H3' C2' H2' O2' HO2' C1' H1' C8 N7 C8 H8 C5 C4 C6 O6 N1 H1 C2 N3 N2 H22@H21 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' H2' O2' HO2' C1' H1' C2 O2 N3 C4 N4 H41@H42 C5 C6 C5 H5 C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' H2' O2' HO2' C1' H1' C8 N7 C8 H8 C5 C4 C6 N1 N6 H61@H62 C2 N3 C2 H2 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C2 O2 N3 H3 C4 O4 C5 C6 C7 H7? C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' H2' O2' HO2' C1' H1' C2 O2 N3 H3 C4 O4 C5 C6 C5 H5 C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' H2' O2' HO2' C1' H1' C8 N7 C8 H8 C5 C4 C6 O6 N1 H1 C2 N3 C2 H2 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C8 N7 C8 H8 C5 C4 C6 O6 N1 H1 C2 N3 N2 H22@H21 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C2 O2 N3 C4 N4 H41@H42 C5 C6 C5 H5 C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C8 N7 C8 H8 C5 C4 C6 N1 N6 H61@H62 C2 N3 C2 H2 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C2 O2 N3 H3 C4 O4 C5 C6 C7 H7? C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C2 O2 N3 H3 C4 O4 C5 C6 C5 H5 C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C8 N7 C8 H8 C5 C4 C6 O6 N1 H1 C2 N3 C2 H2 O3' HO3' O5' HO5'".split(";")), -"pdbHydrogenCount",u(-1,[0,6,16,7,6,6,9,8,4,9,12,12,14,10,10,8,6,8,11,10,10,3,5,0,13,13,13,-1,12,12,13,13,13,14,12,12]),"allCarbohydrates",",[AHR],[ALL],[AMU],[ARA],[ARB],[BDF],[BDR],[BGC],[BMA],[FCA],[FCB],[FRU],[FUC],[FUL],[GAL],[GLA],[GLC],[GXL],[GUP],[LXC],[MAN],[RAM],[RIB],[RIP],[XYP],[XYS],[CBI],[CT3],[CTR],[CTT],[LAT],[MAB],[MAL],[MLR],[MTT],[SUC],[TRE],[GCU],[MTL],[NAG],[NDG],[RHA],[SOR],[SOL],[SOE],[XYL],[A2G],[LBT],[NGA],[SIA],[SLB],[AFL],[AGC],[GLB],[NAN],[RAA]","group3Count",0,"predefinedGroup1Names", +"~N");e(c$,"getArgbs",function(a){switch(a){case 2097166:return JM.BioResolver.argbsNucleic;case 2097154:return JM.BioResolver.argbsAmino;case 1073742144:return JM.BioResolver.argbsShapely;case 1140850689:return JM.BioResolver.argbsChainAtom;case 1612709894:return JM.BioResolver.argbsChainHetero}return null},"~N");c$.htGroup=c$.prototype.htGroup=new java.util.Hashtable;c$.types=c$.prototype.types=D(-1,[J.c.STR.HELIXPI,J.c.STR.HELIXALPHA,J.c.STR.SHEET,J.c.STR.HELIX310,J.c.STR.TURN]);A(c$,"mytypes", +s(-1,[0,2,3,4,6]),"htPdbBondInfo",null,"pdbBondInfo",D(-1,";N N CA HA C O CB HB?;N N CA HA C O CB B CG G CD D NE HE CZ NH1 NH1 HH11@HH12 NH2 HH22@HH21;N N CA HA C O CB B CG OD1 ND2 HD21@HD22;N N CA HA C O CB B CG OD1;N N CA HA C O CB B SG HG;N N CA HA C O CB B CG G CD OE1 NE2 HE22@HE21;N N CA HA C O CB B CG G CD OE1;N N CA HA2@HA3 C O;N N CA HA C O CB B CG CD2 ND1 CE1 ND1 HD1 CD2 HD2 CE1 HE1 NE2 HE2;N N CA HA C O CB HB CG1 HG13@HG12 CG2 HG2? CD1 HD1?;N N CA HA C O CB B CG HG CD1 HD1? CD2 HD2?;N N CA HA C O CB B CG G CD HD2@HD3 CE HE3@HE2 NZ HZ?;N N CA HA C O CB B CG G CE HE?;N N CA HA C O CB B CG CD1 CD1 HD1 CD2 CE2 CD2 HD2 CE1 CZ CE1 HE1 CE2 HE2 CZ HZ;N H CA HA C O CB B CG G CD D;N N CA HA C O CB B OG HG;N N CA HA C O CB HB OG1 HG1 CG2 HG2?;N N CA HA C O CB B CG CD1 CD1 HD1 CD2 CE2 NE1 HE1 CE3 CZ3 CE3 HE3 CZ2 CH2 CZ2 HZ2 CZ3 HZ3 CH2 HH2;N N CA HA C O CB B CG CD1 CD1 HD1 CD2 CE2 CD2 HD2 CE1 CZ CE1 HE1 CE2 HE2 OH HH;N N CA HA C O CB HB CG1 HG1? CG2 HG2?;N N CA HA C O CB B;N N CA HA C O CB B CG G;;P OP1 C5' 5 C4' H4' C3' H3' C2' H2' O2' HO2' C1' H1' C8 N7 C8 H8 C5 C4 C6 O6 N1 H1 C2 N3 N2 H22@H21 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' H2' O2' HO2' C1' H1' C2 O2 N3 C4 N4 H41@H42 C5 C6 C5 H5 C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' H2' O2' HO2' C1' H1' C8 N7 C8 H8 C5 C4 C6 N1 N6 H61@H62 C2 N3 C2 H2 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C2 O2 N3 H3 C4 O4 C5 C6 C7 H7? C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' H2' O2' HO2' C1' H1' C2 O2 N3 H3 C4 O4 C5 C6 C5 H5 C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' H2' O2' HO2' C1' H1' C8 N7 C8 H8 C5 C4 C6 O6 N1 H1 C2 N3 C2 H2 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C8 N7 C8 H8 C5 C4 C6 O6 N1 H1 C2 N3 N2 H22@H21 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C2 O2 N3 C4 N4 H41@H42 C5 C6 C5 H5 C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C8 N7 C8 H8 C5 C4 C6 N1 N6 H61@H62 C2 N3 C2 H2 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C2 O2 N3 H3 C4 O4 C5 C6 C7 H7? C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C2 O2 N3 H3 C4 O4 C5 C6 C5 H5 C6 H6 O3' HO3' O5' HO5';P OP1 C5' 5 C4' H4' C3' H3' C2' 2 C1' H1' C8 N7 C8 H8 C5 C4 C6 O6 N1 H1 C2 N3 C2 H2 O3' HO3' O5' HO5'".split(";")), +"pdbHydrogenCount",s(-1,[0,6,16,7,6,6,9,8,4,9,12,12,14,10,10,8,6,8,11,10,10,3,5,0,13,13,13,-1,12,12,13,13,13,14,12,12]),"allCarbohydrates",",[AHR],[ALL],[AMU],[ARA],[ARB],[BDF],[BDR],[BGC],[BMA],[FCA],[FCB],[FRU],[FUC],[FUL],[GAL],[GLA],[GLC],[GXL],[GUP],[LXC],[MAN],[RAM],[RIB],[RIP],[XYP],[XYS],[CBI],[CT3],[CTR],[CTT],[LAT],[MAB],[MAL],[MLR],[MTT],[SUC],[TRE],[GCU],[MTL],[NAG],[NDG],[RHA],[SOR],[SOL],[SOE],[XYL],[A2G],[LBT],[NGA],[SIA],[SLB],[AFL],[AGC],[GLB],[NAN],[RAA]","group3Count",0,"predefinedGroup1Names", L(-1,"\x00ARNDCQEGHILKMFPSTWYVAG?GCATUIGCATUIGCATUI".split("")),"group3NameCount",0,"predefinedGroup3Names",D(-1," ;ALA;ARG;ASN;ASP;CYS;GLN;GLU;GLY;HIS;ILE;LEU;LYS;MET;PHE;PRO;SER;THR;TRP;TYR;VAL;ASX;GLX;UNK;G ;C ;A ;T ;U ;I ;DG ;DC ;DA ;DT ;DU ;DI ;+G ;+C ;+A ;+T ;+U ;+I ;HOH;DOD;WAT;UREA;PO4;SO4;UNL".split(";")),"specialAtomNames",D(-1,[null,"N","CA","C","O","O1","O5'","C5'","C4'","C3'","O3'","C2'","C1'","P","OD1","OD2","OE1","OE2","SG",null,null,null,null,null,null,null,null,null,null, -null,null,null,"N1","C2","N3","C4","C5","C6","O2","N7","C8","N9","N4","N2","N6","C5M","O6","O4","S4","C7","H1","H2","H3",null,null,null,null,null,null,null,null,null,null,null,"OXT","H","1H","2H","3H","HA","1HA","2HA","H5T","O5T","O1P","OP1","O2P","OP2","O4'","O2'","1H5'","2H5'","H4'","H3'","1H2'","2H2'","2HO'","H1'","H3T","HO3'","HO5'","HA2","HA3","HA2","H5'","H5''","H2'","H2''","HO2'","O3P","OP3"]));c$.ATOMID_MAX=c$.prototype.ATOMID_MAX=JM.BioResolver.specialAtomNames.length;B(c$,"htSpecialAtoms", 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--4296002,-16730463,-16724113,-13329567,-16777029,-5922981,-16739328,-5242880,-5197824,-5242704,-16731984,-1526253,-4050382]),"argbsShapely",u(-1,[4294902015,4278190204,4294933616,4287430540,4288675906,4294967152,4294921292,4284874752,4294967295,4285559039,4278209536,4282736197,4282861496,4283649106,4290289730,4283585106,4294930498,4290268160,4283385344,4287393868,4294937855,4294902015,4294902015,4294902015,4294930544,4294937675,4288717055,4288741280,4294934656,4286644223,4294930544,4294937675,4288717055, -4288741280,4294934656,4286644223,4294930544,4294937675,4288717055,4288741280,4294934656,4286644223]))});m("JM");q(["JM.Monomer"],"JM.CarbohydrateMonomer",["J.c.STR"],function(){c$=A(JM,"CarbohydrateMonomer",JM.Monomer);I(c$,function(){});c$.validateAndAllocate=e(c$,"validateAndAllocate",function(a,b,c,d,f){return(new JM.CarbohydrateMonomer).set2(a,b,c,d,f,JM.CarbohydrateMonomer.alphaOffsets)},"JM.Chain,~S,~N,~N,~N");j(c$,"isCarbohydrate",function(){return!0});j(c$,"getProteinStructureType",function(){return J.c.STR.CARBOHYDRATE}); -j(c$,"isConnectedAfter",function(a){if(null==a)return!0;for(var b=this.firstAtomIndex;b<=this.lastAtomIndex;b++)for(var c=a.firstAtomIndex;c<=a.lastAtomIndex;c++){var d=this.chain.model.ms.at[b],f=this.chain.model.ms.at[c];if(14==d.getElementNumber()+f.getElementNumber()&&3.24>d.distanceSquared(f))return!0}return!1},"JM.Monomer");j(c$,"findNearestAtomIndex",function(a,b,c,d){var f=c[0],e=this.getLeadAtom();d=E(d/2);1200>d&&(d=1200);0!=e.sZ&&(d=C(this.scaleToScreen(e.sZ,d)),4>d&&(d=4),this.isCursorOnTopOf(e, -a,b,d,f)&&(c[0]=e))},"~N,~N,~A,~N,~N");j(c$,"isConnectedPrevious",function(){if(0>=this.monomerIndex)return!1;for(var a=this.firstAtomIndex;a<=this.lastAtomIndex;a++)if(this.getCrossLinkGroup(a,null,null,!0,!1,!1))return!0;return!1});B(c$,"alphaOffsets",F(-1,[0]))});m("JM");q(["JM.BioPolymer"],"JM.CarbohydratePolymer",null,function(){c$=A(JM,"CarbohydratePolymer",JM.BioPolymer);y(c$,function(a){H(this,JM.CarbohydratePolymer,[]);this.set(a);this.type=3},"~A")});m("JM");q(["JM.Monomer"],"JM.PhosphorusMonomer", -["JU.Quat","$.V3","J.c.STR"],function(){c$=A(JM,"PhosphorusMonomer",JM.Monomer);j(c$,"isNucleic",function(){return!0});I(c$,function(){});c$.validateAndAllocateP=e(c$,"validateAndAllocateP",function(a,b,c,d,f,e){return d!=f||e[13]!=d?null:(new JM.PhosphorusMonomer).set2(a,b,c,d,f,JM.PhosphorusMonomer.phosphorusOffsets)},"JM.Chain,~S,~N,~N,~N,~A");j(c$,"isDna",function(){return this.isDnaByID()});j(c$,"isRna",function(){return this.isRnaByID()});j(c$,"isPurine",function(){return this.isPurineByID()}); -j(c$,"isPyrimidine",function(){return this.isPyrimidineByID()});j(c$,"getStructure",function(){return this.chain});j(c$,"getProteinStructureType",function(){return J.c.STR.NONE});j(c$,"isConnectedAfter",function(a){return this.isCA2(a)},"JM.Monomer");e(c$,"isCA2",function(a){return null==a?!0:this.getLeadAtom().distance(a.getLeadAtom())<=JM.PhosphorusMonomer.MAX_ADJACENT_PHOSPHORUS_DISTANCE},"JM.Monomer");j(c$,"getQuaternion",function(){return this.getQuaternionP()},"~S");e(c$,"getQuaternionP",function(){var a= -this.monomerIndex;if(0>=a||a>=this.bioPolymer.monomerCount-1)return null;var b=this.bioPolymer.monomers[a].getAtomFromOffsetIndex(0),c;c=this.bioPolymer.monomers[a+1].getAtomFromOffsetIndex(0);a=this.bioPolymer.monomers[a-1].getAtomFromOffsetIndex(0);if(null==b||null==c||null==a)return null;var d=new JU.V3,f=new JU.V3;d.sub2(c,b);f.sub2(a,b);return JU.Quat.getQuaternionFrameV(d,f,null,!1)});j(c$,"getQuaternionFrameCenter",function(){return this.getAtomFromOffsetIndex(0)},"~S");j(c$,"getHelixData", -function(a,b,c){return this.getHelixData2(a,b,c)},"~N,~S,~N");B(c$,"P",0,"phosphorusOffsets",F(-1,[0]),"MAX_ADJACENT_PHOSPHORUS_DISTANCE",8)});m("JM");c$=v(function(){this.g2=this.g1=this.info=null;s(this,arguments)},JM,"BasePair");y(c$,function(){});c$.add=e(c$,"add",function(a,b,c){if(null==b||null==c)return null;var d=new JM.BasePair;d.info=a;(d.g1=b).addBasePair(d);(d.g2=c).addBasePair(d);return d},"java.util.Map,JM.NucleicMonomer,JM.NucleicMonomer");e(c$,"getPartnerAtom",function(a){return(a=== -this.g1?this.g2:this.g1).getLeadAtom().i},"JM.NucleicMonomer");e(c$,"toString",function(){return this.info.toString()});m("JM");q(["JM.PhosphorusMonomer"],"JM.NucleicMonomer","java.lang.Character JU.A4 $.Lst $.M3 $.P3 $.Quat $.V3 J.c.STR JM.Group JM.NucleicPolymer".split(" "),function(){c$=v(function(){this.hasRnaO2Prime=this.$isPyrimidine=this.$isPurine=!1;this.dssrBox=this.bps=this.baseCenter=null;this.dssrBoxHeight=0;this.dssrFrame=null;s(this,arguments)},JM,"NucleicMonomer",JM.PhosphorusMonomer); -I(c$,function(){});c$.validateAndAllocate=e(c$,"validateAndAllocate",function(a,b,c,d,f,e){var h=JM.Monomer.scanForOffsets(d,e,JM.NucleicMonomer.interestingNucleicAtomIDs);if(null==h||!JM.Monomer.checkOptional(h,19,d,e[73]))return null;JM.Monomer.checkOptional(h,20,d,e[89]);JM.Monomer.checkOptional(h,18,d,e[90]);JM.Monomer.checkOptional(h,23,d,e[75]);JM.Monomer.checkOptional(h,24,d,e[77]);return(new JM.NucleicMonomer).set4(a,b,c,d,f,h)},"JM.Chain,~S,~N,~N,~N,~A");e(c$,"set4",function(a,b,c,d,f,e){this.set2(a, -b,c,d,f,e);JM.Monomer.have(e,15)||(e[0]=e[19],this.setLeadAtomIndex());this.hasRnaO2Prime=JM.Monomer.have(e,2);this.$isPyrimidine=JM.Monomer.have(e,8);this.$isPurine=JM.Monomer.have(e,9)&&JM.Monomer.have(e,10)&&JM.Monomer.have(e,11);return this},"JM.Chain,~S,~N,~N,~N,~A");j(c$,"isNucleicMonomer",function(){return!0});j(c$,"isDna",function(){return!this.hasRnaO2Prime});j(c$,"isRna",function(){return this.hasRnaO2Prime});j(c$,"isPurine",function(){return this.$isPurine||!this.$isPyrimidine&&this.isPurineByID()}); -j(c$,"isPyrimidine",function(){return this.$isPyrimidine||!this.$isPurine&&this.isPyrimidineByID()});e(c$,"isGuanine",function(){return JM.Monomer.have(this.offsets,17)});j(c$,"getProteinStructureType",function(){return this.hasRnaO2Prime?J.c.STR.RNA:J.c.STR.DNA});e(c$,"getP",function(){return this.getAtomFromOffsetIndex(0)});e(c$,"getC1P",function(){return this.getAtomFromOffsetIndex(25)});e(c$,"getC2",function(){return this.getAtomFromOffsetIndex(5)});e(c$,"getC5",function(){return this.getAtomFromOffsetIndex(3)}); -e(c$,"getC6",function(){return this.getAtomFromOffsetIndex(1)});e(c$,"getC8",function(){return this.getAtomFromOffsetIndex(10)});e(c$,"getC4P",function(){return this.getAtomFromOffsetIndex(27)});e(c$,"getN1",function(){return this.getAtomFromOffsetIndex(4)});e(c$,"getN3",function(){return this.getAtomFromOffsetIndex(6)});e(c$,"getN2",function(){return this.getAtomFromOffsetIndex(17)});e(c$,"getN4",function(){return this.getAtomFromOffsetIndex(14)});e(c$,"getN6",function(){return this.getAtomFromOffsetIndex(16)}); -e(c$,"getO2",function(){return this.getAtomFromOffsetIndex(8)});e(c$,"getO4",function(){return this.getAtomFromOffsetIndex(12)});e(c$,"getO6",function(){return this.getAtomFromOffsetIndex(13)});j(c$,"getTerminatorAtom",function(){return this.getAtomFromOffsetIndex(JM.Monomer.have(this.offsets,20)?20:21)});e(c$,"getBaseRing6Points",function(a){this.getPoints(JM.NucleicMonomer.ring6OffsetIndexes,a)},"~A");e(c$,"getPoints",function(a,b){for(var c=a.length;0<=--c;)b[c]=this.getAtomFromOffsetIndex(a[c])}, -"~A,~A");e(c$,"maybeGetBaseRing5Points",function(a){this.$isPurine&&this.getPoints(JM.NucleicMonomer.ring5OffsetIndexes,a);return this.$isPurine},"~A");e(c$,"getRiboseRing5Points",function(a){this.getPoints(JM.NucleicMonomer.riboseOffsetIndexes,a)},"~A");j(c$,"isConnectedAfter",function(a){if(null==a)return!0;var b=this.getAtomFromOffsetIndex(15);return null==b?!1:a.getAtomFromOffsetIndex(21).isBonded(b)||this.isCA2(a)},"JM.Monomer");j(c$,"findNearestAtomIndex",function(a,b,c,d){var f=c[0],e=this.getLeadAtom(), -h=this.getAtomFromOffsetIndex(19),j=this.getAtomFromOffsetIndex(22);d=E(d/2);1900>d&&(d=1900);d=C(this.scaleToScreen(e.sZ,d));4>d&&(d=4);if(this.isCursorOnTopOf(e,a,b,d,f)||this.isCursorOnTopOf(h,a,b,d,f)||this.isCursorOnTopOf(j,a,b,d,f))c[0]=e},"~N,~N,~A,~N,~N");e(c$,"setRingsVisible",function(a){for(var b=6;0<=--b;)this.getAtomFromOffsetIndex(JM.NucleicMonomer.ring6OffsetIndexes[b]).setShapeVisibility(32768,a);if(this.$isPurine)for(b=4;1<=--b;)this.getAtomFromOffsetIndex(JM.NucleicMonomer.ring5OffsetIndexes[b]).setShapeVisibility(32768, 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JM.CarbohydrateMonomer).set2(a,b,c,d,f,JM.CarbohydrateMonomer.alphaOffsets)},"JM.Chain,~S,~N,~N,~N");j(c$,"isCarbohydrate",function(){return!0});j(c$,"getProteinStructureType",function(){return J.c.STR.CARBOHYDRATE}); +j(c$,"isConnectedAfter",function(a){if(null==a)return!0;for(var b=this.firstAtomIndex;b<=this.lastAtomIndex;b++)for(var c=a.firstAtomIndex;c<=a.lastAtomIndex;c++){var d=this.chain.model.ms.at[b],f=this.chain.model.ms.at[c];if(null!=d&&null!=f&&14==d.getElementNumber()+f.getElementNumber()&&3.24>d.distanceSquared(f))return!0}return!1},"JM.Monomer");j(c$,"findNearestAtomIndex",function(a,b,c,d){var f=c[0],e=this.getLeadAtom();d=E(d/2);1200>d&&(d=1200);0!=e.sZ&&(d=C(this.scaleToScreen(e.sZ,d)),4>d&& +(d=4),this.isCursorOnTopOf(e,a,b,d,f)&&(c[0]=e))},"~N,~N,~A,~N,~N");j(c$,"isConnectedPrevious",function(){if(0>=this.monomerIndex)return!1;for(var a=this.firstAtomIndex;a<=this.lastAtomIndex;a++)if(this.getCrossLinkGroup(a,null,null,!0,!1,!1))return!0;return!1});A(c$,"alphaOffsets",F(-1,[0]))});m("JM");q(["JM.BioPolymer"],"JM.CarbohydratePolymer",null,function(){c$=B(JM,"CarbohydratePolymer",JM.BioPolymer);z(c$,function(a){H(this,JM.CarbohydratePolymer,[]);this.set(a);this.type=3},"~A")});m("JM"); +q(["JM.Monomer"],"JM.PhosphorusMonomer",["JU.Quat","$.V3","J.c.STR"],function(){c$=B(JM,"PhosphorusMonomer",JM.Monomer);j(c$,"isNucleic",function(){return!0});I(c$,function(){});c$.validateAndAllocateP=e(c$,"validateAndAllocateP",function(a,b,c,d,f,e){return d!=f||e[13]!=d?null:(new JM.PhosphorusMonomer).set2(a,b,c,d,f,JM.PhosphorusMonomer.phosphorusOffsets)},"JM.Chain,~S,~N,~N,~N,~A");j(c$,"isDna",function(){return this.isDnaByID()});j(c$,"isRna",function(){return this.isRnaByID()});j(c$,"isPurine", +function(){return this.isPurineByID()});j(c$,"isPyrimidine",function(){return this.isPyrimidineByID()});j(c$,"getStructure",function(){return this.chain});j(c$,"getProteinStructureType",function(){return J.c.STR.NONE});j(c$,"isConnectedAfter",function(a){return this.isCA2(a)},"JM.Monomer");e(c$,"isCA2",function(a){return null==a?!0:this.getLeadAtom().distance(a.getLeadAtom())<=JM.PhosphorusMonomer.MAX_ADJACENT_PHOSPHORUS_DISTANCE},"JM.Monomer");j(c$,"getQuaternion",function(){return this.getQuaternionP()}, +"~S");e(c$,"getQuaternionP",function(){var a=this.monomerIndex;if(0>=a||a>=this.bioPolymer.monomerCount-1)return null;var b=this.bioPolymer.monomers[a].getAtomFromOffsetIndex(0),c;c=this.bioPolymer.monomers[a+1].getAtomFromOffsetIndex(0);a=this.bioPolymer.monomers[a-1].getAtomFromOffsetIndex(0);if(null==b||null==c||null==a)return null;var d=new JU.V3,f=new JU.V3;d.sub2(c,b);f.sub2(a,b);return JU.Quat.getQuaternionFrameV(d,f,null,!1)});j(c$,"getQuaternionFrameCenter",function(){return this.getAtomFromOffsetIndex(0)}, +"~S");j(c$,"getHelixData",function(a,b,c){return this.getHelixData2(a,b,c)},"~N,~S,~N");A(c$,"P",0,"phosphorusOffsets",F(-1,[0]),"MAX_ADJACENT_PHOSPHORUS_DISTANCE",8)});m("JM");c$=v(function(){this.g2=this.g1=this.info=null;u(this,arguments)},JM,"BasePair");z(c$,function(){});c$.add=e(c$,"add",function(a,b,c){if(null==b||null==c)return null;var d=new JM.BasePair;d.info=a;(d.g1=b).addBasePair(d);(d.g2=c).addBasePair(d);return d},"java.util.Map,JM.NucleicMonomer,JM.NucleicMonomer");e(c$,"getPartnerAtom", +function(a){return(a===this.g1?this.g2:this.g1).getLeadAtom().i},"JM.NucleicMonomer");e(c$,"toString",function(){return this.info.toString()});m("JM");q(["JM.PhosphorusMonomer"],"JM.NucleicMonomer","java.lang.Character JU.A4 $.Lst $.M3 $.P3 $.Quat $.V3 J.c.STR JM.Group JM.NucleicPolymer".split(" "),function(){c$=v(function(){this.hasRnaO2Prime=this.$isPyrimidine=this.$isPurine=!1;this.dssrBox=this.bps=this.baseCenter=null;this.dssrBoxHeight=0;this.dssrFrame=null;u(this,arguments)},JM,"NucleicMonomer", +JM.PhosphorusMonomer);I(c$,function(){});c$.validateAndAllocate=e(c$,"validateAndAllocate",function(a,b,c,d,f,e){var h=JM.Monomer.scanForOffsets(d,e,JM.NucleicMonomer.interestingNucleicAtomIDs);if(null==h||!JM.Monomer.checkOptional(h,19,d,e[73]))return null;JM.Monomer.checkOptional(h,20,d,e[89]);JM.Monomer.checkOptional(h,18,d,e[90]);JM.Monomer.checkOptional(h,23,d,e[75]);JM.Monomer.checkOptional(h,24,d,e[77]);return(new JM.NucleicMonomer).set4(a,b,c,d,f,h)},"JM.Chain,~S,~N,~N,~N,~A");e(c$,"set4", +function(a,b,c,d,f,e){this.set2(a,b,c,d,f,e);JM.Monomer.have(e,15)||(e[0]=e[19],this.setLeadAtomIndex());this.hasRnaO2Prime=JM.Monomer.have(e,2);this.$isPyrimidine=JM.Monomer.have(e,8);this.$isPurine=JM.Monomer.have(e,9)&&JM.Monomer.have(e,10)&&JM.Monomer.have(e,11);return this},"JM.Chain,~S,~N,~N,~N,~A");j(c$,"isNucleicMonomer",function(){return!0});j(c$,"isDna",function(){return!this.hasRnaO2Prime});j(c$,"isRna",function(){return this.hasRnaO2Prime});j(c$,"isPurine",function(){return this.$isPurine|| +!this.$isPyrimidine&&this.isPurineByID()});j(c$,"isPyrimidine",function(){return this.$isPyrimidine||!this.$isPurine&&this.isPyrimidineByID()});e(c$,"isGuanine",function(){return JM.Monomer.have(this.offsets,17)});j(c$,"getProteinStructureType",function(){return this.hasRnaO2Prime?J.c.STR.RNA:J.c.STR.DNA});e(c$,"getP",function(){return this.getAtomFromOffsetIndex(0)});e(c$,"getC1P",function(){return this.getAtomFromOffsetIndex(25)});e(c$,"getC2",function(){return this.getAtomFromOffsetIndex(5)}); +e(c$,"getC5",function(){return this.getAtomFromOffsetIndex(3)});e(c$,"getC6",function(){return this.getAtomFromOffsetIndex(1)});e(c$,"getC8",function(){return this.getAtomFromOffsetIndex(10)});e(c$,"getC4P",function(){return this.getAtomFromOffsetIndex(27)});e(c$,"getN1",function(){return this.getAtomFromOffsetIndex(4)});e(c$,"getN3",function(){return this.getAtomFromOffsetIndex(6)});e(c$,"getN2",function(){return this.getAtomFromOffsetIndex(17)});e(c$,"getN4",function(){return this.getAtomFromOffsetIndex(14)}); +e(c$,"getN6",function(){return this.getAtomFromOffsetIndex(16)});e(c$,"getO2",function(){return this.getAtomFromOffsetIndex(8)});e(c$,"getO4",function(){return this.getAtomFromOffsetIndex(12)});e(c$,"getO6",function(){return this.getAtomFromOffsetIndex(13)});j(c$,"getTerminatorAtom",function(){return this.getAtomFromOffsetIndex(JM.Monomer.have(this.offsets,20)?20:21)});e(c$,"getBaseRing6Points",function(a){this.getPoints(JM.NucleicMonomer.ring6OffsetIndexes,a)},"~A");e(c$,"getPoints",function(a,b){for(var c= +a.length;0<=--c;)b[c]=this.getAtomFromOffsetIndex(a[c])},"~A,~A");e(c$,"maybeGetBaseRing5Points",function(a){this.$isPurine&&this.getPoints(JM.NucleicMonomer.ring5OffsetIndexes,a);return this.$isPurine},"~A");e(c$,"getRiboseRing5Points",function(a){this.getPoints(JM.NucleicMonomer.riboseOffsetIndexes,a)},"~A");j(c$,"isConnectedAfter",function(a){if(null==a)return!0;var b=this.getAtomFromOffsetIndex(15);return null==b?!1:a.getAtomFromOffsetIndex(21).isBonded(b)||this.isCA2(a)},"JM.Monomer");j(c$,"findNearestAtomIndex", +function(a,b,c,d){var f=c[0],e=this.getLeadAtom(),h=this.getAtomFromOffsetIndex(19),j=this.getAtomFromOffsetIndex(22);d=E(d/2);1900>d&&(d=1900);d=C(this.scaleToScreen(e.sZ,d));4>d&&(d=4);if(this.isCursorOnTopOf(e,a,b,d,f)||this.isCursorOnTopOf(h,a,b,d,f)||this.isCursorOnTopOf(j,a,b,d,f))c[0]=e},"~N,~N,~A,~N,~N");e(c$,"setRingsVisible",function(a){for(var b=6;0<=--b;)this.getAtomFromOffsetIndex(JM.NucleicMonomer.ring6OffsetIndexes[b]).setShapeVisibility(32768,a);if(this.$isPurine)for(b=4;1<=--b;)this.getAtomFromOffsetIndex(JM.NucleicMonomer.ring5OffsetIndexes[b]).setShapeVisibility(32768, a)},"~B");e(c$,"setRingsClickable",function(){for(var a=6;0<=--a;)this.getAtomFromOffsetIndex(JM.NucleicMonomer.ring6OffsetIndexes[a]).setClickable(32768);if(this.$isPurine)for(a=4;1<=--a;)this.getAtomFromOffsetIndex(JM.NucleicMonomer.ring5OffsetIndexes[a]).setClickable(32768)});e(c$,"getN0",function(){return this.getAtomFromOffsetIndex(this.$isPurine?11:4)});j(c$,"getHelixData",function(a,b,c){return this.getHelixData2(a,b,c)},"~N,~S,~N");j(c$,"getQuaternionFrameCenter",function(a){switch(a){case "x":case "a":case "b":case "p":return this.getP(); case "c":if(null==this.baseCenter){a=0;this.baseCenter=new JU.P3;for(var b=0;ba&&(a+=360);0>f&&(f+=360);c.setGroupParameter(1111490565,a);c.setGroupParameter(1111490576,f)}return!0});j(c$,"calcRasmolHydrogenBonds",function(a,b,c,d,f){for(var e=new JU.V3,h=new JU.V3,j=this.monomerCount;0<=--j;){var k=this.monomers[j]; -if(k.isPurine()){var l=k.getN3(),n=b.get(l.i);if(n||c.get(l.i)){for(var p=k.getN1(),m=k.getN0(),w=JU.Measure.getPlaneThroughPoints(l,p,m,e,h,new JU.P4),l=null,q=25,t=null,r=a.monomerCount;0<=--r;){var s=a.monomers[r];if(s.$isPyrimidine){var u=s.getN3();if(!(n?!c.get(u.i):!b.get(u.i))){var v=s.getN0(),y=p.distanceSquared(u);yMath.abs(JU.Measure.distanceToPlane(w,u)))&&(t=s,l=u,q=y)}}}n=0;null!=l&&(n+=JM.NucleicPolymer.addHydrogenBond(d,p,l),n>=f||(k.isGuanine()?(n+= -JM.NucleicPolymer.addHydrogenBond(d,k.getN2(),t.getO2()),n>=f||JM.NucleicPolymer.addHydrogenBond(d,k.getO6(),t.getN4())):JM.NucleicPolymer.addHydrogenBond(d,k.getN6(),t.getO4())))}}}},"JM.BioPolymer,JU.BS,JU.BS,JU.Lst,~N,~A,~B,~B");c$.addHydrogenBond=e(c$,"addHydrogenBond",function(a,b,c){if(null==b||null==c)return 0;a.addLast(new JM.HBond(b,c,18432,1,0,0));return 1},"JU.Lst,JM.Atom,JM.Atom");B(c$,"htGroup1",null)});m("JM");c$=v(function(){this.g2=this.g1=this.info=null;s(this,arguments)},JM,"BasePair"); -y(c$,function(){});c$.add=e(c$,"add",function(a,b,c){if(null==b||null==c)return null;var d=new JM.BasePair;d.info=a;(d.g1=b).addBasePair(d);(d.g2=c).addBasePair(d);return d},"java.util.Map,JM.NucleicMonomer,JM.NucleicMonomer");e(c$,"getPartnerAtom",function(a){return(a===this.g1?this.g2:this.g1).getLeadAtom().i},"JM.NucleicMonomer");e(c$,"toString",function(){return this.info.toString()});m("JM");q(["JM.BioPolymer"],"JM.PhosphorusPolymer",null,function(){c$=A(JM,"PhosphorusPolymer",JM.BioPolymer); -y(c$,function(a){H(this,JM.PhosphorusPolymer,[]);this.set(a);this.hasStructure=!0},"~A")});m("J.dssx");q(null,"J.dssx.Bridge",["java.lang.Boolean","JU.Escape"],function(){c$=v(function(){this.ladder=this.b=this.a=null;this.isAntiparallel=!1;s(this,arguments)},J.dssx,"Bridge");y(c$,function(a,b,c){this.a=a;this.b=b;this.ladder=u(2,2,0);this.ladder[0][0]=this.ladder[0][1]=Math.min(a.i,b.i);this.ladder[1][0]=this.ladder[1][1]=Math.max(a.i,b.i);this.addLadder(c)},"JM.Atom,JM.Atom,java.util.Map");e(c$, +if(k.isPurine()){var l=k.getN3(),p=b.get(l.i);if(p||c.get(l.i)){for(var n=k.getN1(),m=k.getN0(),w=JU.Measure.getPlaneThroughPoints(l,n,m,e,h,new JU.P4),l=null,q=25,t=null,r=a.monomerCount;0<=--r;){var u=a.monomers[r];if(u.$isPyrimidine){var s=u.getN3();if(!(p?!c.get(s.i):!b.get(s.i))){var v=u.getN0(),z=n.distanceSquared(s);zMath.abs(JU.Measure.distanceToPlane(w,s)))&&(t=u,l=s,q=z)}}}p=0;null!=l&&(p+=JM.NucleicPolymer.addHydrogenBond(d,n,l),p>=f||(k.isGuanine()?(p+= +JM.NucleicPolymer.addHydrogenBond(d,k.getN2(),t.getO2()),p>=f||JM.NucleicPolymer.addHydrogenBond(d,k.getO6(),t.getN4())):JM.NucleicPolymer.addHydrogenBond(d,k.getN6(),t.getO4())))}}}},"JM.BioPolymer,JU.BS,JU.BS,JU.Lst,~N,~A,~B,~B");c$.addHydrogenBond=e(c$,"addHydrogenBond",function(a,b,c){if(null==b||null==c)return 0;a.addLast(new JM.HBond(b,c,18432,1,0,0));return 1},"JU.Lst,JM.Atom,JM.Atom");A(c$,"htGroup1",null)});m("JM");c$=v(function(){this.g2=this.g1=this.info=null;u(this,arguments)},JM,"BasePair"); +z(c$,function(){});c$.add=e(c$,"add",function(a,b,c){if(null==b||null==c)return null;var d=new JM.BasePair;d.info=a;(d.g1=b).addBasePair(d);(d.g2=c).addBasePair(d);return d},"java.util.Map,JM.NucleicMonomer,JM.NucleicMonomer");e(c$,"getPartnerAtom",function(a){return(a===this.g1?this.g2:this.g1).getLeadAtom().i},"JM.NucleicMonomer");e(c$,"toString",function(){return this.info.toString()});m("JM");q(["JM.BioPolymer"],"JM.PhosphorusPolymer",null,function(){c$=B(JM,"PhosphorusPolymer",JM.BioPolymer); +z(c$,function(a){H(this,JM.PhosphorusPolymer,[]);this.set(a);this.hasStructure=!0},"~A")});m("J.dssx");q(null,"J.dssx.Bridge",["java.lang.Boolean","JU.Escape"],function(){c$=v(function(){this.ladder=this.b=this.a=null;this.isAntiparallel=!1;u(this,arguments)},J.dssx,"Bridge");z(c$,function(a,b,c){this.a=a;this.b=b;this.ladder=s(2,2,0);this.ladder[0][0]=this.ladder[0][1]=Math.min(a.i,b.i);this.ladder[1][0]=this.ladder[1][1]=Math.max(a.i,b.i);this.addLadder(c)},"JM.Atom,JM.Atom,java.util.Map");e(c$, "addBridge",function(a,b){if(a.isAntiparallel!=this.isAntiparallel||!this.canAdd(a)||!a.canAdd(this))return!1;this.extendLadder(a.ladder[0][0],a.ladder[1][0]);this.extendLadder(a.ladder[0][1],a.ladder[1][1]);a.ladder=this.ladder;a.ladder!==this.ladder&&(b.remove(a.ladder),this.addLadder(b));return!0},"J.dssx.Bridge,java.util.Map");e(c$,"addLadder",function(a){a.put(this.ladder,this.isAntiparallel?Boolean.TRUE:Boolean.FALSE)},"java.util.Map");e(c$,"canAdd",function(a){var b=a.a.i;a=a.b.i;return this.isAntiparallel? b>=this.ladder[0][1]&&a<=this.ladder[1][0]||b<=this.ladder[0][0]&&a>=this.ladder[1][1]:b<=this.ladder[0][0]&&a<=this.ladder[1][0]||b>=this.ladder[0][1]&&a>=this.ladder[1][1]},"J.dssx.Bridge");e(c$,"extendLadder",function(a,b){this.ladder[0][0]>a&&(this.ladder[0][0]=a);this.ladder[0][1]b&&(this.ladder[1][0]=b);this.ladder[1][1]f;f++)for(var e=0==f?1:0;6>e;e++)this.checkBridge(a,b,f*c,e*d),e>f&&this.checkBridge(a,b,e*c,f*d)},"J.dssx.Bridge,~B,~N");e(c$,"dumpSummary",function(a,b){for(var c=a.monomers[0].getLeadAtom(),c=0==c.getChainID()?"":c.getChainIDStr()+ -":",d=new JU.SB,f="\x00",e="\x00",h="\x00",j=-1,k=-1,l=a.monomerCount,n=a.monomers,m=0;m<=l;m++){if(m==l||b[m]!=f){"\x00"!=f&&d.appendC("\n").appendC(f).append(" : ").append(c).appendI(j).append("\x00"==e?"":String.valueOf(e)).append("_").append(c).appendI(k).append("\x00"==h?"":String.valueOf(h));if(m==l)break;f=b[m];j=n[m].getResno();e=n[m].getInsertionCode()}k=n[m].getResno();h=n[m].getInsertionCode()}return d.toString()},"JM.AminoPolymer,~A");e(c$,"dumpTags",function(a,b,c,d){var f=a.monomers[0].getLeadAtom().getChainID()+ -"."+(a.bioPolymerIndexInModel+1);b=JU.PT.rep(b,"$",f);for(var e=a.monomers[0].getResno(),h="\n"+f,f=new JU.SB,j=(new JU.SB).append(h+".8: "),k=(new JU.SB).append(h+".7: "),l=(new JU.SB).append(h+".6: "),h=(new JU.SB).append(h+".0: "),n=a.monomerCount,m=0;ma||0>b)return null;c=f[c];f=f[d];return a>=c.length||b>=f.length?null:c[a][0][0]==d&&c[a][0][1]==b?c[a][0]:c[a][1][0]==d&&c[a][1][1]==b?c[a][1]:null},"~N,~N,~N,~N,~A");e(c$,"findHelixes",function(a,b){var c=this.bioPolymers[a];if(JU.Logger.debugging)for(var d=0;d=A&&z<=C.leadAtomIndex)){l.set(y);m.setBits(y+1,v);q.set(v);var z=s.nextSetBit(y), -A=0>z||z>=v,D=!1;if(0"),this.setTag(d,q,"<"),this.setTag(d,p,"X")):d=null;s.or(r);m.andNot(s);h.or(m);h.andNot(r);this.setStructure&&k.setStructureBS(0,a,f,r,!1);return this.doReport?(this.setTag(this.labels[b], -r,String.fromCharCode(68+c)),String.valueOf(d)+t):""},"~N,~N,~N,~A,J.c.STR,~N,JU.BS,~B");e(c$,"setTag",function(a,b,c){for(var d=b.nextSetBit(0);0<=d;d=b.nextSetBit(d+1))a[d]=c},"~A,JU.BS,~S")});m("J.shapebio");q(["J.shape.AtomShape"],"J.shapebio.BioShape","java.lang.Float JU.AU $.BS $.PT J.c.PAL $.STR JM.AlphaPolymer $.NucleicPolymer JU.BSUtil $.C $.Logger".split(" "),function(){c$=v(function(){this.modelVisibilityFlags=this.modelIndex=0;this.leadAtomIndices=this.wingVectors=this.monomers=this.colixesBack= -this.meshReady=this.meshes=this.bioPolymer=this.shape=null;this.hasBfactorRange=!1;this.floatRange=this.range=this.bfactorMax=this.bfactorMin=0;s(this,arguments)},J.shapebio,"BioShape",J.shape.AtomShape);j(c$,"setProperty",function(a,b,c){this.setPropAS(a,b,c)},"~S,~O,JU.BS");y(c$,function(a,b,c){H(this,J.shapebio.BioShape,[]);this.shape=a;this.modelIndex=b;this.bioPolymer=c;this.isActive=a.isActive;this.bsSizeDefault=new JU.BS;this.monomerCount=c.monomerCount;0=A&&y<=B.leadAtomIndex)){l.set(v);p.setBits(v+1,s);m.set(s);var y=r.nextSetBit(v), +A=0>y||y>=s,C=!1;if(0"),this.setTag(d,m,"<"),this.setTag(d,n,"X")):d=null;r.or(q);p.andNot(r);h.or(p);h.andNot(q);this.setStructure&&k.setStructureBS(0,a,f,q,!1);return this.doReport?(this.setTag(this.labels[b], +q,String.fromCharCode(68+c)),String.valueOf(d)+t):""},"~N,~N,~N,~A,J.c.STR,~N,JU.BS,~B");e(c$,"setTag",function(a,b,c){for(var d=b.nextSetBit(0);0<=d;d=b.nextSetBit(d+1))a[d]=c},"~A,JU.BS,~S")});m("J.shapebio");q(["J.shape.AtomShape"],"J.shapebio.BioShape","java.lang.Float JU.AU $.BS $.PT J.c.PAL $.STR JM.AlphaPolymer $.NucleicPolymer JU.BSUtil $.C $.Logger".split(" "),function(){c$=v(function(){this.modelVisibilityFlags=this.modelIndex=0;this.leadAtomIndices=this.wingVectors=this.monomers=this.colixesBack= +this.meshReady=this.meshes=this.bioPolymer=this.shape=null;this.hasBfactorRange=!1;this.floatRange=this.range=this.bfactorMax=this.bfactorMin=0;u(this,arguments)},J.shapebio,"BioShape",J.shape.AtomShape);j(c$,"setProperty",function(a,b,c){this.setPropAS(a,b,c)},"~S,~O,JU.BS");z(c$,function(a,b,c){H(this,J.shapebio.BioShape,[]);this.shape=a;this.modelIndex=b;this.bioPolymer=c;this.isActive=a.isActive;this.bsSizeDefault=new JU.BS;this.monomerCount=c.monomerCount;0this.bfactorMax&&(this.bfactorMax=b)}this.floatRange=this.range=this.bfactorMax-this.bfactorMin;this.hasBfactorRange=!0});e(c$,"calcMeanPositionalDisplacement",function(a){return U(1E3*Math.sqrt(a/7895.6835208714865))},"~N");j(c$,"findNearestAtomIndex",function(a,b,c,d){this.bioPolymer.findNearestAtomIndex(a,b,c,this.mads,this.shape.vf,d)},"~N,~N,~A,JU.BS");e(c$,"setMad",function(a,b,c){if(!(2>this.monomerCount)){this.isActive=!0;null==this.bsSizeSet&&(this.bsSizeSet= new JU.BS);for(var d=this.shape.vf,f=32768==d&&r(this.bioPolymer,JM.NucleicPolymer),e=this.monomerCount;0<=--e;){var h=this.leadAtomIndices[e];if(b.get(h)){if(null!=c&&hd&&(this.colixesBack[d]=JU.C.getColixTranslucent3(this.colixesBack[d],a,c)),this.bsColixSet.setBitTo(d,0!=this.colixes[d]))},"~B,JU.BS,~N");j(c$,"setAtomClickability",function(){if(this.isActive&&!(null==this.wingVectors||0==this.monomerCount))for(var a=r(this.bioPolymer,JM.NucleicPolymer)&&11==this.shape.shapeID,b=r(this.bioPolymer,JM.AlphaPolymer)||15!=this.shape.shapeID,c=this.monomers[0].chain.model.ms, d=this.monomerCount;0<=--d;)if(!(0>=this.mads[d])){var f=this.leadAtomIndices[d];c.isAtomHidden(f)||(b&&c.at[f].setClickable(1040384),a&&this.monomers[d].setRingsClickable())}});e(c$,"getBioShapeState",function(a,b,c,d){if(0f&&0!=this.colixesBack[f])&&(j+=" "+JU.C.getHexCode(this.colixesBack[f]));JU.BSUtil.setMapBitSet(d,e,h,j)}}},"~S,~B,java.util.Map,java.util.Map");j(c$,"getShapeState",function(){return null}); -B(c$,"eightPiSquared100",7895.6835208714865)});m("J.shapebio");q(["J.shape.Shape"],"J.shapebio.BioShapeCollection","java.util.Hashtable JU.AU J.c.PAL J.shapebio.BioShape JU.BSUtil $.C JV.JC".split(" "),function(){c$=v(function(){this.atoms=null;this.madOn=-2;this.madHelixSheet=3E3;this.madTurnRandom=800;this.madDnaRna=5E3;this.isActive=!1;this.bioShapes=null;s(this,arguments)},J.shapebio,"BioShapeCollection",J.shape.Shape);j(c$,"initModelSet",function(){this.isBioShape=!0;this.atoms=this.ms.at;this.initialize()}); +A(c$,"eightPiSquared100",7895.6835208714865)});m("J.shapebio");q(["J.shape.Shape"],"J.shapebio.BioShapeCollection","java.util.Hashtable JU.AU J.c.PAL J.shapebio.BioShape JU.BSUtil $.C JV.JC".split(" "),function(){c$=v(function(){this.atoms=null;this.madOn=-2;this.madHelixSheet=3E3;this.madTurnRandom=800;this.madDnaRna=5E3;this.isActive=!1;this.bioShapes=null;u(this,arguments)},J.shapebio,"BioShapeCollection",J.shape.Shape);j(c$,"initModelSet",function(){this.isBioShape=!0;this.atoms=this.ms.at;this.initialize()}); j(c$,"initShape",function(){});j(c$,"getSizeG",function(a){var b=a.groupIndex;a=a.getLeadAtom().i;for(var c=this.bioShapes.length;0<=--c;)for(var d=this.bioShapes[c],f=0;fc?(b.modelIndex--,b.leadAtomIndices=b.bioPolymer.getLeadAtomIndices()):b.modelIndex==c&&(this.bioShapes=JU.AU.deleteElements(this.bioShapes,a,1))}else if(this.initialize(),"color"===a){var d=J.c.PAL.pidOf(b),f=JU.C.getColixO(b);for(a=this.bioShapes.length;0<=--a;)b=this.bioShapes[a],0c?(b.modelIndex--,b.leadAtomIndices=b.bioPolymer.getLeadAtomIndices()):b.modelIndex==c&&(this.bioShapes=JU.AU.deleteElements(this.bioShapes,a,1))}else if(this.initialize(),"color"===a){var d=J.c.PAL.pidOf(b),f=JU.C.getColixO(b);for(a=this.bioShapes.length;0<=--a;)b=this.bioShapes[a],0j&&(j=l)}var l=e/c,c=Math.sqrt((g-e*e/c)/c),e=a[1],g=a[2],m=a[3],p=a[4],r=a[5],q=C(a[6]),j=j-h,s=!1;switch(q){case 0:case 1:case 2:case 3:s=!0}for(k=b.nextSetBit(0);0<=k;k=b.nextSetBit(k+1)){var t=this.atoms[k].atomPropertyFloat(null,1111492620,null);switch(q){case 0:case 4:t=1+(t-l)/g/c;break;case 1:case 5:t=(t-h)/j/g;break;case 2:case 6:t/=g;break;case 8:0>t&&(t=0),t=Math.sqrt(t/8)/3.141592653589793}0>t&&(t=0);s&&(t=Math.pow(t,r));tp&&0<=p&&(t= -p);d[k]=t*e}d=new J.atomdata.RadiusData(d,0,J.atomdata.RadiusData.EnumType.ABSOLUTE,J.c.VDW.AUTO);this.setShapeSizeRD(0,d,b)}},"~A,JU.BS");B(c$,"PUTTY_NormalizedNonlinear",0,"PUTTY_RelativeNonlinear",1,"PUTTY_ScaledNonlinear",2,"PUTTY_AbsoluteNonlinear",3,"PUTTY_NormalizedLinear",4,"PUTTY_RelativeLinear",5,"PUTTY_ScaledLinear",6,"PUTTY_AbsoluteLinear",7,"PUTTY_ImpliedRMS",8)});m("J.renderbio");q(["J.render.ShapeRenderer","JU.BS","$.P3"],"J.renderbio.BioShapeRenderer","javajs.api.Interface J.c.STR JM.CarbohydratePolymer $.NucleicPolymer $.PhosphorusPolymer JU.C".split(" "), +v(function(){this.isMesh=!1;u(this,arguments)},J.shapebio,"Strands",J.shapebio.BioShapeCollection)});m("J.shapebio");q(["J.shapebio.BioShapeCollection"],"J.shapebio.Ribbons",null,function(){c$=B(J.shapebio,"Ribbons",J.shapebio.BioShapeCollection)});m("J.shapebio");q(["J.shapebio.Strands"],"J.shapebio.MeshRibbon",null,function(){c$=B(J.shapebio,"MeshRibbon",J.shapebio.Strands);j(c$,"initShape",function(){this.isMesh=!0})});m("J.shapebio");q(["J.shapebio.BioShapeCollection"],"J.shapebio.Trace",["J.atomdata.RadiusData", +"J.c.VDW"],function(){c$=B(J.shapebio,"Trace",J.shapebio.BioShapeCollection);j(c$,"initShape",function(){this.madOn=600;this.madHelixSheet=1500;this.madTurnRandom=500;this.madDnaRna=1500});j(c$,"setProperty",function(a,b,c){"putty"===a?this.setPutty(b,c):this.setPropBSC(a,b,c)},"~S,~O,JU.BS");e(c$,"setPutty",function(a,b){var c=b.cardinality();if(0!=c){for(var d=G(b.length(),0),e=0,g=0,h=3.4028235E38,j=0,k=b.nextSetBit(0);0<=k;k=b.nextSetBit(k+1)){var l=this.atoms[k].atomPropertyFloat(null,1111492620, +null),e=e+l,g=g+l*l;lj&&(j=l)}var l=e/c,c=Math.sqrt((g-e*e/c)/c),e=a[1],g=a[2],m=a[3],n=a[4],q=a[5],r=C(a[6]),j=j-h,s=!1;switch(r){case 0:case 1:case 2:case 3:s=!0}for(k=b.nextSetBit(0);0<=k;k=b.nextSetBit(k+1)){var t=this.atoms[k].atomPropertyFloat(null,1111492620,null);switch(r){case 0:case 4:t=1+(t-l)/g/c;break;case 1:case 5:t=(t-h)/j/g;break;case 2:case 6:t/=g;break;case 8:0>t&&(t=0),t=Math.sqrt(t/8)/3.141592653589793}0>t&&(t=0);s&&(t=Math.pow(t,q));tn&&0<=n&&(t= +n);d[k]=t*e}d=new J.atomdata.RadiusData(d,0,J.atomdata.RadiusData.EnumType.ABSOLUTE,J.c.VDW.AUTO);this.setShapeSizeRD(0,d,b)}},"~A,JU.BS");A(c$,"PUTTY_NormalizedNonlinear",0,"PUTTY_RelativeNonlinear",1,"PUTTY_ScaledNonlinear",2,"PUTTY_AbsoluteNonlinear",3,"PUTTY_NormalizedLinear",4,"PUTTY_RelativeLinear",5,"PUTTY_ScaledLinear",6,"PUTTY_AbsoluteLinear",7,"PUTTY_ImpliedRMS",8)});m("J.renderbio");q(["J.render.ShapeRenderer","JU.BS","$.P3"],"J.renderbio.BioShapeRenderer","javajs.api.Interface J.c.STR JM.CarbohydratePolymer $.NucleicPolymer $.PhosphorusPolymer JU.C".split(" "), function(){c$=v(function(){this.haveControlPointScreens=this.ribbonBorder=this.isTraceAlpha=this.invalidateSheets=this.invalidateMesh=!1;this.sheetSmoothing=this.hermiteLevel=this.aspectRatio=0;this.cartoonsFancy=!1;this.monomerCount=0;this.monomers=null;this.isCarbohydrate=this.isPhosphorusOnly=this.isNucleic=!1;this.structureTypes=this.colixesBack=this.colixes=this.mads=this.wingVectors=this.leadAtomIndices=this.controlPointScreens=this.controlPoints=this.ribbonBottomScreens=this.ribbonTopScreens= -this.bsVisible=null;this.needTranslucent=this.wireframeOnly=this.isHighRes=!1;this.pointT=this.bioShape=this.meshRenderer=null;this.colixBack=this.madEnd=this.madMid=this.madBeg=this.diameterEnd=this.diameterMid=this.diameterBeg=this.iNext3=this.iNext2=this.iNext=this.iPrev=0;this.reversed=null;this.isCyclic=!1;this.screenArrowBotPrev=this.screenArrowBot=this.screenArrowTopPrev=this.screenArrowTop=null;s(this,arguments)},J.renderbio,"BioShapeRenderer",J.render.ShapeRenderer);N(c$,function(){this.bsVisible= +this.bsVisible=null;this.needTranslucent=this.wireframeOnly=this.isHighRes=!1;this.pointT=this.bioShape=this.meshRenderer=null;this.colixBack=this.madEnd=this.madMid=this.madBeg=this.diameterEnd=this.diameterMid=this.diameterBeg=this.iNext3=this.iNext2=this.iNext=this.iPrev=0;this.reversed=null;this.isCyclic=!1;this.screenArrowBotPrev=this.screenArrowBot=this.screenArrowTopPrev=this.screenArrowTop=null;u(this,arguments)},J.renderbio,"BioShapeRenderer",J.render.ShapeRenderer);N(c$,function(){this.bsVisible= new JU.BS;this.pointT=new JU.P3;this.screenArrowTop=new JU.P3;this.screenArrowTopPrev=new JU.P3;this.screenArrowBot=new JU.P3;this.screenArrowBotPrev=new JU.P3});j(c$,"render",function(){if(null==this.shape)return!1;this.setGlobals();this.renderShapes();return this.needTranslucent});e(c$,"setGlobals",function(){this.needTranslucent=this.invalidateMesh=!1;this.g3d.addRenderer(553648145);var a=!this.isExport&&!this.vwr.checkMotionRendering(1112152066);a!=this.wireframeOnly&&(this.invalidateMesh=!0); -this.wireframeOnly=a;a=this.isExport||!this.wireframeOnly&&this.vwr.getBoolean(603979864);a!=this.isHighRes&&(this.invalidateMesh=!0);this.isHighRes=a;a=!this.wireframeOnly&&(this.vwr.getBoolean(603979817)||this.isExport);this.cartoonsFancy!=a&&(this.invalidateMesh=!0,this.cartoonsFancy=a);a=this.vwr.getHermiteLevel();a=0>=a?-a:this.vwr.getInMotion(!0)?0:a;this.cartoonsFancy&&!this.wireframeOnly&&(a=Math.max(a,3));a!=this.hermiteLevel&&(this.invalidateMesh=!0);this.hermiteLevel=Math.min(a,8);var b= +this.wireframeOnly=a;a=this.isExport||!this.wireframeOnly&&this.vwr.getBoolean(603979864);a!=this.isHighRes&&(this.invalidateMesh=!0);this.isHighRes=a;a=!this.wireframeOnly&&(this.vwr.getBoolean(603979816)||this.isExport);this.cartoonsFancy!=a&&(this.invalidateMesh=!0,this.cartoonsFancy=a);a=this.vwr.getHermiteLevel();a=0>=a?-a:this.vwr.getInMotion(!0)?0:a;this.cartoonsFancy&&!this.wireframeOnly&&(a=Math.max(a,3));a!=this.hermiteLevel&&(this.invalidateMesh=!0);this.hermiteLevel=Math.min(a,8);var b= this.vwr.getInt(553648166),b=Math.min(Math.max(0,b),20);this.cartoonsFancy&&16<=b&&(b=4);if(this.wireframeOnly||0==this.hermiteLevel)b=0;b!=this.aspectRatio&&(0!=b&&0!=a)&&(this.invalidateMesh=!0);this.aspectRatio=b;0>1}else{if(!b||this.structureTypes[a]===this.structureTypes[this.iPrev])this.madBeg=(0==this.mads[this.iPrev]?this.madMid:this.mads[this.iPrev])+this.madMid>>1;if(!b||this.structureTypes[a]===this.structureTypes[this.iNext])this.madEnd=(0==this.mads[this.iNext]?this.madMid:this.mads[this.iNext])+this.madMid>>1}this.diameterBeg= -C(this.vwr.tm.scaleToScreen(C(this.controlPointScreens[a].z),this.madBeg));this.diameterMid=C(this.vwr.tm.scaleToScreen(this.monomers[a].getLeadAtom().sZ,this.madMid));this.diameterEnd=C(this.vwr.tm.scaleToScreen(C(this.controlPointScreens[this.iNext].z),this.madEnd));var c=a==this.iPrev||!this.bsVisible.get(this.iPrev)||b&&this.structureTypes[a]!==this.structureTypes[this.iPrev],d=this.iNext==this.iNext2||!this.bsVisible.get(this.iNext)||b&&this.structureTypes[a]!==this.structureTypes[this.iNext]; +C(this.vwr.tm.scaleToScreen(C(this.controlPointScreens[a].z),this.madBeg));this.diameterMid=C(this.vwr.tm.scaleToScreen(this.monomers[a].getLeadAtom().sZ,this.madMid));this.diameterEnd=C(this.vwr.tm.scaleToScreen(C(this.controlPointScreens[this.iNext].z),this.madEnd));var c=a==this.iPrev||!this.bsVisible.get(this.iPrev)||b&&this.structureTypes[a]!==this.structureTypes[this.iPrev],d=this.iNext==this.iNext2||this.iNext2==this.iNext3||!this.bsVisible.get(this.iNext)||b&&this.structureTypes[a]!==this.structureTypes[this.iNext]; return 0>=1);0>l?this.g3d.drawLine(c,d,g,h,a,j,k,b):(e=C(this.isExport?l:this.vwr.tm.scaleToScreen(E((a+b)/2),l)),this.g3d.fillCylinderXYZ(c,d,3,e,g,h,a,j,k,b))},"JM.Atom,JM.Atom,~N,~N,~N")});m("J.renderbio");q(["J.renderbio.BioShapeRenderer"], -"J.renderbio.StrandsRenderer",["J.shapebio.Strands"],function(){c$=v(function(){this.strandCount=1;this.baseStrandOffset=this.strandSeparation=0;s(this,arguments)},J.renderbio,"StrandsRenderer",J.renderbio.BioShapeRenderer);j(c$,"renderBioShape",function(){this.renderStrandShape()},"J.shapebio.BioShape");e(c$,"renderStrandShape",function(){this.setStrandCount()&&this.renderStrands()});e(c$,"setStrandCount",function(){if(null==this.wingVectors)return!1;this.strandCount=r(this.shape,J.shapebio.Strands)? +"J.renderbio.StrandsRenderer",["J.shapebio.Strands"],function(){c$=v(function(){this.strandCount=1;this.baseStrandOffset=this.strandSeparation=0;u(this,arguments)},J.renderbio,"StrandsRenderer",J.renderbio.BioShapeRenderer);j(c$,"renderBioShape",function(){this.renderStrandShape()},"J.shapebio.BioShape");e(c$,"renderStrandShape",function(){this.setStrandCount()&&this.renderStrands()});e(c$,"setStrandCount",function(){if(null==this.wingVectors)return!1;this.strandCount=r(this.shape,J.shapebio.Strands)? this.vwr.getStrandCount(this.shape.shapeID):10;this.strandSeparation=1>=this.strandCount?0:1/(this.strandCount-1);this.baseStrandOffset=0==(this.strandCount&1)?this.strandSeparation/2:this.strandSeparation;return!0});e(c$,"renderStrands",function(){for(var a,b=this.strandCount>>1;0<=--b;){var c=b*this.strandSeparation+this.baseStrandOffset;a=this.calcScreens(c,this.mads);this.renderStrand(a);this.vwr.freeTempPoints(a);a=this.calcScreens(-c,this.mads);this.renderStrand(a);this.vwr.freeTempPoints(a)}1== -this.strandCount%2&&(a=this.calcScreens(0,this.mads),this.renderStrand(a),this.vwr.freeTempPoints(a))});e(c$,"renderStrand",function(a){for(var b=this.bsVisible.nextSetBit(0);0<=b;b=this.bsVisible.nextSetBit(b+1))this.renderHermiteCylinder(a,b)},"~A")});m("J.renderbio");q(["J.renderbio.MeshRibbonRenderer"],"J.renderbio.RibbonsRenderer",null,function(){c$=A(J.renderbio,"RibbonsRenderer",J.renderbio.MeshRibbonRenderer);j(c$,"renderBioShape",function(){null!=this.wingVectors&&(this.wireframeOnly?this.renderStrands(): -this.render2Strand(!0,this.isNucleic?1:0.5,this.isNucleic?0:0.5))},"J.shapebio.BioShape")});m("J.renderbio");q(["J.renderbio.StrandsRenderer"],"J.renderbio.MeshRibbonRenderer",null,function(){c$=A(J.renderbio,"MeshRibbonRenderer",J.renderbio.StrandsRenderer);j(c$,"renderBioShape",function(){this.wireframeOnly?this.renderStrands():this.renderMeshRibbon()},"J.shapebio.BioShape");e(c$,"renderMeshRibbon",function(){if(this.setStrandCount()){var a=(this.strandCount>>1)*this.strandSeparation+this.baseStrandOffset; +this.strandCount%2&&(a=this.calcScreens(0,this.mads),this.renderStrand(a),this.vwr.freeTempPoints(a))});e(c$,"renderStrand",function(a){for(var b=this.bsVisible.nextSetBit(0);0<=b;b=this.bsVisible.nextSetBit(b+1))this.renderHermiteCylinder(a,b)},"~A")});m("J.renderbio");q(["J.renderbio.MeshRibbonRenderer"],"J.renderbio.RibbonsRenderer",null,function(){c$=B(J.renderbio,"RibbonsRenderer",J.renderbio.MeshRibbonRenderer);j(c$,"renderBioShape",function(){null!=this.wingVectors&&(this.wireframeOnly?this.renderStrands(): +this.render2Strand(!0,this.isNucleic?1:0.5,this.isNucleic?0:0.5))},"J.shapebio.BioShape")});m("J.renderbio");q(["J.renderbio.StrandsRenderer"],"J.renderbio.MeshRibbonRenderer",null,function(){c$=B(J.renderbio,"MeshRibbonRenderer",J.renderbio.StrandsRenderer);j(c$,"renderBioShape",function(){this.wireframeOnly?this.renderStrands():this.renderMeshRibbon()},"J.shapebio.BioShape");e(c$,"renderMeshRibbon",function(){if(this.setStrandCount()){var a=(this.strandCount>>1)*this.strandSeparation+this.baseStrandOffset; this.render2Strand(!1,a,a);this.renderStrands()}});e(c$,"render2Strand",function(a,b,c){this.calcScreenControlPoints();this.ribbonTopScreens=this.calcScreens(b,this.mads);this.ribbonBottomScreens=this.calcScreens(-c,this.mads);for(b=this.bsVisible.nextSetBit(0);0<=b;b=this.bsVisible.nextSetBit(b+1))this.renderHermiteRibbon(a,b,!1);this.vwr.freeTempPoints(this.ribbonTopScreens);this.vwr.freeTempPoints(this.ribbonBottomScreens)},"~B,~N,~N")});m("J.renderbio");q(["J.renderbio.StrandsRenderer"],"J.renderbio.RocketsRenderer", -["javajs.api.Interface","JU.P3","J.c.STR"],function(){c$=v(function(){this.isRockets=!1;this.helixRockets=!0;this.renderArrowHeads=!1;this.rr=this.cordMidPoints=null;s(this,arguments)},J.renderbio,"RocketsRenderer",J.renderbio.StrandsRenderer);j(c$,"renderBioShape",function(a){this.setupRR(a,!0)&&(this.calcRopeMidPoints(),this.renderRockets(),this.vwr.freeTempPoints(this.cordMidPoints))},"J.shapebio.BioShape");e(c$,"renderRockets",function(){null==this.rr&&(this.rr=javajs.api.Interface.getInterface("J.renderbio.RocketRenderer").set(this)); +["javajs.api.Interface","JU.P3","J.c.STR"],function(){c$=v(function(){this.isRockets=!1;this.helixRockets=!0;this.renderArrowHeads=!1;this.rr=this.cordMidPoints=null;u(this,arguments)},J.renderbio,"RocketsRenderer",J.renderbio.StrandsRenderer);j(c$,"renderBioShape",function(a){this.setupRR(a,!0)&&(this.calcRopeMidPoints(),this.renderRockets(),this.vwr.freeTempPoints(this.cordMidPoints))},"J.shapebio.BioShape");e(c$,"renderRockets",function(){null==this.rr&&(this.rr=javajs.api.Interface.getInterface("J.renderbio.RocketRenderer").set(this)); this.rr.renderRockets()});e(c$,"setupRR",function(a,b){this.isRockets=b;if(this.wireframeOnly)this.renderStrands();else if(null!=this.wingVectors&&!this.isCarbohydrate&&(!b||!this.isNucleic)){var c=!this.vwr.getBoolean(603979902);!this.isNucleic&&this.renderArrowHeads!=c&&(a.falsifyMesh(),this.renderArrowHeads=c);return!0}return!1},"J.shapebio.BioShape,~B");e(c$,"calcRopeMidPoints",function(){this.cordMidPoints=this.vwr.allocTempPoints(this.monomerCount+1);for(var a=null,b,c=-10,d=new JU.P3,e=new JU.P3, g=0;g<=this.monomerCount;++g)if(b=this.cordMidPoints[g],ge.distanceSquared(j)))g=JU.C.getColixInherited(g,e.colixAtom),h=JU.C.getColixInherited(h,j.colixAtom),(!b||this.setBioColix(g)||this.setBioColix(h))&&this.drawSegmentAB(e,j,g,h,100)}},"J.shapebio.BioShape")});m("J.renderbio");q(["J.renderbio.StrandsRenderer"], -"J.renderbio.TraceRenderer",null,function(){c$=A(J.renderbio,"TraceRenderer",J.renderbio.StrandsRenderer);j(c$,"renderBioShape",function(){this.wireframeOnly?this.renderStrands():this.renderTrace()},"J.shapebio.BioShape");e(c$,"renderTrace",function(){this.calcScreenControlPoints();for(var a=this.bsVisible.nextSetBit(0);0<=a;a=this.bsVisible.nextSetBit(a+1))this.renderHermiteConic(a,!1,7)})})})(Clazz,Clazz.getClassName,Clazz.newLongArray,Clazz.doubleToByte,Clazz.doubleToInt,Clazz.doubleToLong,Clazz.declarePackage, +"J.renderbio.TraceRenderer",null,function(){c$=B(J.renderbio,"TraceRenderer",J.renderbio.StrandsRenderer);j(c$,"renderBioShape",function(){this.wireframeOnly?this.renderStrands():this.renderTrace()},"J.shapebio.BioShape");e(c$,"renderTrace",function(){this.calcScreenControlPoints();for(var a=this.bsVisible.nextSetBit(0);0<=a;a=this.bsVisible.nextSetBit(a+1))this.renderHermiteConic(a,!1,7)})})})(Clazz,Clazz.getClassName,Clazz.newLongArray,Clazz.doubleToByte,Clazz.doubleToInt,Clazz.doubleToLong,Clazz.declarePackage, Clazz.instanceOf,Clazz.load,Clazz.instantialize,Clazz.decorateAsClass,Clazz.floatToInt,Clazz.floatToLong,Clazz.makeConstructor,Clazz.defineEnumConstant,Clazz.exceptionOf,Clazz.newIntArray,Clazz.defineStatics,Clazz.newFloatArray,Clazz.declareType,Clazz.prepareFields,Clazz.superConstructor,Clazz.newByteArray,Clazz.declareInterface,Clazz.p0p,Clazz.pu$h,Clazz.newShortArray,Clazz.innerTypeInstance,Clazz.isClassDefined,Clazz.prepareCallback,Clazz.newArray,Clazz.castNullAs,Clazz.floatToShort,Clazz.superCall, Clazz.decorateAsType,Clazz.newBooleanArray,Clazz.newCharArray,Clazz.implementOf,Clazz.newDoubleArray,Clazz.overrideConstructor,Clazz.clone,Clazz.doubleToShort,Clazz.getInheritedLevel,Clazz.getParamsType,Clazz.isAF,Clazz.isAB,Clazz.isAI,Clazz.isAS,Clazz.isASS,Clazz.isAP,Clazz.isAFloat,Clazz.isAII,Clazz.isAFF,Clazz.isAFFF,Clazz.tryToSearchAndExecute,Clazz.getStackTrace,Clazz.inheritArgs,Clazz.alert,Clazz.defineMethod,Clazz.overrideMethod,Clazz.declareAnonymous,Clazz.cloneFinals); diff --git a/qmpy/web/static/js/jsmol/j2s/core/corejmol.js b/qmpy/web/static/js/jsmol/j2s/core/corejmol.js index d8292074..77d866ef 100644 --- a/qmpy/web/static/js/jsmol/j2s/core/corejmol.js +++ b/qmpy/web/static/js/jsmol/j2s/core/corejmol.js @@ -64,9 +64,9 @@ ){ var $t$; //var c$; -Jmol.___JmolDate="$Date: 2020-05-27 14:50:46 -0500 (Wed, 27 May 2020) $" -Jmol.___fullJmolProperties="src/org/jmol/viewer/Jmol.properties" -Jmol.___JmolVersion="14.31.2" +Jmol.___JmolDate="$Date: 2021-12-23 12:47:05 -0600 (Thu, 23 Dec 2021) $" +Jmol.___fullJmolProperties="src/org/jmol/viewer/Jmol.properties" +Jmol.___JmolVersion="14.32.6" // JSmolJavaExt.js @@ -1490,14 +1490,19 @@ sp.codePointAt || (sp.codePointAt = sp.charCodeAt); // Firefox only })(String.prototype); +var textDecoder = new TextDecoder(); + String.instantialize=function(){ switch (arguments.length) { case 0: return new String(); case 1: var x=arguments[0]; - if (x.BYTES_PER_ELEMENT || x instanceof Array){ - return (x.length == 0 ? "" : typeof x[0]=="number" ? Encoding.readUTF8Array(x) : x.join('')); + if (x.BYTES_PER_ELEMENT) { + return (x.length == 0 ? "" : typeof x[0]=="number" ? textDecoder.decode(x) : x.join('')); + } + if (x instanceof Array){ + return (x.length == 0 ? "" : typeof x[0]=="number" ? textDecoder.decode(new Uint8Array(x)) : x.join('')); } if(typeof x=="string"||x instanceof String){ return new String(x); @@ -1551,11 +1556,12 @@ case 4: if(typeof y=="string"||y instanceof String){ var offset=arguments[1]; var length=arguments[2]; - var arr=new Array(length); + var arr=new Uint8Array(length); for(var i=0;i= 0 ? "+" : "") + n; +n = JU.PT.parseInt (s.substring (i1 + (s.indexOf ("E+") == i1 ? 2 : 1))) + n; +var f = JU.PT.parseFloat (s.substring (0, i1)); +sf = JU.DF.formatDecimal (f, decimalDigits - 1); +if (sf.startsWith ("10.")) { +sf = JU.DF.formatDecimal (1, decimalDigits - 1); +n++; +}}return (isNeg ? "-" : "") + sf + "E" + (n >= 0 ? "+" : "") + n; }if (decimalDigits >= JU.DF.formattingStrings.length) decimalDigits = JU.DF.formattingStrings.length - 1; var s1 = ("" + value).toUpperCase (); var pt = s1.indexOf ("."); if (pt < 0) return s1 + JU.DF.formattingStrings[decimalDigits].substring (1); -var isNeg = s1.startsWith ("-"); -if (isNeg) { -s1 = s1.substring (1); -pt--; -}var pt1 = s1.indexOf ("E-"); +var pt1 = s1.indexOf ("E-"); if (pt1 > 0) { n = JU.PT.parseInt (s1.substring (pt1 + 1)); s1 = "0." + "0000000000000000000000000000000000000000".substring (0, -n - 1) + s1.substring (0, 1) + s1.substring (2, pt1); @@ -11757,7 +11761,7 @@ pt = s1.indexOf ("."); }var len = s1.length; var pt2 = decimalDigits + pt + 1; if (pt2 < len && s1.charAt (pt2) >= '5') { -return JU.DF.formatDecimal (value + (isNeg ? -1 : 1) * JU.DF.formatAdds[decimalDigits], decimalDigits); +return JU.DF.formatDecimal ((isNeg ? -1 : 1) * (value + JU.DF.formatAdds[decimalDigits]), decimalDigits); }var s0 = s1.substring (0, (decimalDigits == 0 ? pt : ++pt)); var sb = JU.SB.newS (s0); if (isNeg && s0.equals ("0.") && decimalDigits + 2 <= len && s1.substring (2, 2 + decimalDigits).equals ("0000000000000000000000000000000000000000".substring (0, decimalDigits))) isNeg = false; @@ -11775,6 +11779,15 @@ var m = str.length - 1; var zero = '0'; while (m >= 0 && str.charAt (m) == zero) m--; +return str.substring (0, m + 1); +}, "~N,~N"); +c$.formatDecimalTrimmed0 = Clazz_defineMethod (c$, "formatDecimalTrimmed0", +function (x, precision) { +var str = JU.DF.formatDecimalDbl (x, precision); +var m = str.length - 1; +var pt = str.indexOf (".") + 1; +while (m > pt && str.charAt (m) == '0') m--; + return str.substring (0, m + 1); }, "~N,~N"); Clazz_defineStatics (c$, @@ -12779,6 +12792,12 @@ this.m31 -= m1.m31; this.m32 -= m1.m32; this.m33 -= m1.m33; }, "JU.M4"); +Clazz_defineMethod (c$, "add", +function (pt) { +this.m03 += pt.x; +this.m13 += pt.y; +this.m23 += pt.z; +}, "JU.T3"); Clazz_defineMethod (c$, "transpose", function () { this.transpose33 (); @@ -12951,28 +12970,37 @@ this.bytes = null; this.bigEndian = true; Clazz_instantialize (this, arguments); }, JU, "OC", java.io.OutputStream, javajs.api.GenericOutputChannel); -Clazz_overrideMethod (c$, "isBigEndian", +Clazz_makeConstructor (c$, function () { -return this.bigEndian; +Clazz_superConstructor (this, JU.OC, []); }); -Clazz_defineMethod (c$, "setBigEndian", -function (TF) { -this.bigEndian = TF; -}, "~B"); +Clazz_makeConstructor (c$, +function (fileName) { +Clazz_superConstructor (this, JU.OC, []); +this.setParams (null, fileName, false, null); +}, "~S"); Clazz_defineMethod (c$, "setParams", function (bytePoster, fileName, asWriter, os) { this.bytePoster = bytePoster; -this.fileName = fileName; this.$isBase64 = ";base64,".equals (fileName); if (this.$isBase64) { fileName = null; this.os0 = os; os = null; -}this.os = os; +}this.fileName = fileName; +this.os = os; this.isLocalFile = (fileName != null && !JU.OC.isRemote (fileName)); if (asWriter && !this.$isBase64 && os != null) this.bw = new java.io.BufferedWriter ( new java.io.OutputStreamWriter (os)); return this; }, "javajs.api.BytePoster,~S,~B,java.io.OutputStream"); +Clazz_overrideMethod (c$, "isBigEndian", +function () { +return this.bigEndian; +}); +Clazz_defineMethod (c$, "setBigEndian", +function (TF) { +this.bigEndian = TF; +}, "~B"); Clazz_defineMethod (c$, "setBytes", function (b) { this.bytes = b; @@ -13139,8 +13167,8 @@ return ret; }var jmol = null; var _function = null; { -jmol = self.J2S || Jmol; _function = (typeof this.fileName == "function" ? -this.fileName : null); +jmol = self.J2S || Jmol; _function = (typeof this.fileName == +"function" ? this.fileName : null); }if (jmol != null) { var data = (this.sb == null ? this.toByteArray () : this.sb.toString ()); if (_function == null) jmol.doAjax (this.fileName, null, data, this.sb == null); @@ -13185,13 +13213,11 @@ c$.isRemote = Clazz_defineMethod (c$, "isRemote", function (fileName) { if (fileName == null) return false; var itype = JU.OC.urlTypeIndex (fileName); -return (itype >= 0 && itype != 5); +return (itype >= 0 && itype < 4); }, "~S"); c$.isLocal = Clazz_defineMethod (c$, "isLocal", function (fileName) { -if (fileName == null) return false; -var itype = JU.OC.urlTypeIndex (fileName); -return (itype < 0 || itype == 5); +return (fileName != null && !JU.OC.isRemote (fileName)); }, "~S"); c$.urlTypeIndex = Clazz_defineMethod (c$, "urlTypeIndex", function (name) { @@ -13220,8 +13246,9 @@ function (x) { this.writeInt (x == 0 ? 0 : Float.floatToIntBits (x)); }, "~N"); Clazz_defineStatics (c$, -"urlPrefixes", Clazz_newArray (-1, ["http:", "https:", "sftp:", "ftp:", "cache://", "file:"]), -"URL_LOCAL", 5); +"urlPrefixes", Clazz_newArray (-1, ["http:", "https:", "sftp:", "ftp:", "file:", "cache:"]), +"URL_LOCAL", 4, +"URL_CACHE", 5); }); Clazz_declarePackage ("JU"); Clazz_load (["JU.T3"], "JU.P3", null, function () { @@ -13246,6 +13273,10 @@ p.y = y; p.z = z; return p; }, "~N,~N,~N"); +c$.newA = Clazz_defineMethod (c$, "newA", +function (a) { +return JU.P3.new3 (a[0], a[1], a[2]); +}, "~A"); Clazz_defineStatics (c$, "unlikely", null); }); @@ -15413,7 +15444,8 @@ return parser.set (null, br, false).getAllCifData (); c$.fixUTF = Clazz_defineMethod (c$, "fixUTF", function (bytes) { var encoding = JU.Rdr.getUTFEncoding (bytes); -if (encoding !== JU.Encoding.NONE) try { +if (encoding !== JU.Encoding.NONE) { +try { var s = String.instantialize (bytes, encoding.name ().$replace ('_', '-')); switch (encoding) { case JU.Encoding.UTF8: @@ -15432,7 +15464,7 @@ System.out.println (e); throw e; } } -return String.instantialize (bytes); +}return String.instantialize (bytes); }, "~A"); c$.getUTFEncoding = Clazz_defineMethod (c$, "getUTFEncoding", function (bytes) { @@ -15525,13 +15557,15 @@ return (bytes.length >= 4 && bytes[0] == 0x50 && bytes[1] == 0x4B && bytes[2] == }, "~A"); c$.getMagic = Clazz_defineMethod (c$, "getMagic", function (is, n) { -var abMagic = Clazz_newByteArray (n, 0); +var abMagic = (n > 264 ? Clazz_newByteArray (n, 0) : JU.Rdr.b264 == null ? (JU.Rdr.b264 = Clazz_newByteArray (264, 0)) : JU.Rdr.b264); { is.resetStream(); }try { is.mark (n + 1); -is.read (abMagic, 0, n); -} catch (e) { +var i = is.read (abMagic, 0, n); +if (i < n) { +abMagic[0] = abMagic[257] = 0; +}} catch (e) { if (Clazz_exceptionOf (e, java.io.IOException)) { } else { throw e; @@ -15725,6 +15759,21 @@ function (fileName) { var pt = fileName.indexOf ("|"); return (pt < 0 ? fileName : fileName.substring (0, pt)); }, "~S"); +c$.isTar = Clazz_defineMethod (c$, "isTar", +function (bis) { +var bytes = JU.Rdr.getMagic (bis, 264); +return (bytes[0] != 0 && (bytes[257] & 0xFF) == 0x75 && (bytes[258] & 0xFF) == 0x73 && (bytes[259] & 0xFF) == 0x74 && (bytes[260] & 0xFF) == 0x61 && (bytes[261] & 0xFF) == 0x72); +}, "java.io.BufferedInputStream"); +c$.streamToBytes = Clazz_defineMethod (c$, "streamToBytes", +function (is) { +var bytes = JU.Rdr.getLimitedStreamBytes (is, -1); +is.close (); +return bytes; +}, "java.io.InputStream"); +c$.streamToString = Clazz_defineMethod (c$, "streamToString", +function (is) { +return String.instantialize (JU.Rdr.streamToBytes (is)); +}, "java.io.InputStream"); Clazz_pu$h(self.c$); c$ = Clazz_decorateAsClass (function () { this.stream = null; @@ -15748,6 +15797,8 @@ throw e; return this.stream; }); c$ = Clazz_p0p (); +Clazz_defineStatics (c$, +"b264", null); }); Clazz_declarePackage ("JU"); Clazz_load (null, "JU.T3d", ["java.lang.Double"], function () { @@ -15872,7 +15923,7 @@ return Math.sqrt (this.lengthSquared ()); }); }); Clazz_declarePackage ("J.adapter.readers.molxyz"); -Clazz_load (["J.adapter.smarter.AtomSetCollectionReader"], "J.adapter.readers.molxyz.MolReader", ["java.lang.Exception", "java.util.Hashtable", "JU.Lst", "$.PT", "J.adapter.smarter.Atom", "J.api.JmolAdapter", "JU.Logger"], function () { +Clazz_load (["J.adapter.smarter.AtomSetCollectionReader"], "J.adapter.readers.molxyz.MolReader", ["java.lang.Exception", "java.util.Hashtable", "JU.BS", "$.Lst", "$.PT", "J.adapter.smarter.Atom", "J.api.JmolAdapter", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { this.optimize2D = false; this.haveAtomSerials = false; @@ -15917,8 +15968,18 @@ this.finalizeReaderMR (); }); Clazz_defineMethod (c$, "finalizeReaderMR", function () { -if (this.optimize2D) this.set2D (); -this.isTrajectory = false; +if (this.is2D && !this.optimize2D) this.appendLoadNote ("This model is 2D. Its 3D structure has not been generated; use LOAD \"\" FILTER \"2D\" to optimize 3D."); +if (this.optimize2D) { +this.set2D (); +if (this.asc.bsAtoms == null) { +this.asc.bsAtoms = new JU.BS (); +this.asc.bsAtoms.setBits (0, this.asc.ac); +}for (var i = this.asc.bondCount; --i >= 0; ) { +var b = this.asc.bonds[i]; +if (this.asc.atoms[b.atomIndex2].elementSymbol.equals ("H") && b.order != 1025 && b.order != 1041) { +this.asc.bsAtoms.clear (b.atomIndex2); +}} +}this.isTrajectory = false; this.finalizeReaderASCR (); }); Clazz_defineMethod (c$, "processMolSdHeader", @@ -15930,10 +15991,9 @@ header += this.line + "\n"; this.rd (); if (this.line == null) return; header += this.line + "\n"; -this.set2D (this.line.length >= 22 && this.line.substring (20, 22).equals ("2D")); +this.is2D = (this.line.length >= 22 && this.line.substring (20, 22).equals ("2D")); if (this.is2D) { if (!this.allow2D) throw new Exception ("File is 2D, not 3D"); -this.appendLoadNote ("This model is 2D. Its 3D structure has not been generated."); }this.rd (); if (this.line == null) return; this.line = this.line.trim (); @@ -15972,7 +16032,7 @@ var iAtom = -2147483648; x = this.parseFloatRange (this.line, 0, 10); y = this.parseFloatRange (this.line, 10, 20); z = this.parseFloatRange (this.line, 20, 30); -if (this.is2D && z != 0) this.set2D (false); +if (this.is2D && z != 0) this.is2D = this.optimize2D = false; if (len < 34) { elementSymbol = this.line.substring (31).trim (); } else { @@ -16002,7 +16062,7 @@ var stereo = 0; iAtom1 = this.line.substring (0, 3).trim (); iAtom2 = this.line.substring (3, 6).trim (); var order = this.parseIntRange (this.line, 6, 9); -if (this.optimize2D && order == 1 && this.line.length >= 12) stereo = this.parseIntRange (this.line, 9, 12); +if (this.is2D && order == 1 && this.line.length >= 12) stereo = this.parseIntRange (this.line, 9, 12); order = this.fixOrder (order, stereo); if (this.haveAtomSerials) this.asc.addNewBondFromNames (iAtom1, iAtom2, order); else this.asc.addNewBondWithOrder (this.iatom0 + this.parseIntStr (iAtom1) - 1, this.iatom0 + this.parseIntStr (iAtom2) - 1, order); @@ -16026,11 +16086,6 @@ molData.put (atomValueName == null ? "atom_values" : atomValueName.toString (), this.asc.setCurrentModelInfo ("molDataKeys", _keyList); this.asc.setCurrentModelInfo ("molData", molData); }}, "~N,~N"); -Clazz_defineMethod (c$, "set2D", - function (b) { -this.is2D = b; -this.asc.setInfo ("dimension", (b ? "2D" : "3D")); -}, "~B"); Clazz_defineMethod (c$, "readAtomValues", function () { this.atomData = new Array (this.atomCount); @@ -16286,6 +16341,7 @@ this.radius = NaN; this.isHetero = false; this.atomSerial = -2147483648; this.chainID = 0; +this.bondRadius = NaN; this.altLoc = '\0'; this.group3 = null; this.sequenceNumber = -2147483648; @@ -16293,6 +16349,7 @@ this.insertionCode = '\0'; this.anisoBorU = null; this.tensors = null; this.ignoreSymmetry = false; +this.typeSymbol = null; Clazz_instantialize (this, arguments); }, J.adapter.smarter, "Atom", JU.P3, Cloneable); Clazz_defineMethod (c$, "addTensor", @@ -16310,7 +16367,16 @@ this.set (NaN, NaN, NaN); }); Clazz_defineMethod (c$, "getClone", function () { -var a = this.clone (); +var a; +try { +a = this.clone (); +} catch (e) { +if (Clazz_exceptionOf (e, CloneNotSupportedException)) { +return null; +} else { +throw e; +} +} if (this.vib != null) { if (Clazz_instanceOf (this.vib, JU.Vibration)) { a.vib = (this.vib).clone (); @@ -16361,6 +16427,12 @@ c$.isValidSymChar1 = Clazz_defineMethod (c$, "isValidSymChar1", function (ch) { return (ch >= 'A' && ch <= 'Z' && J.adapter.smarter.Atom.elementCharMasks[ch.charCodeAt (0) - 65] != 0); }, "~S"); +Clazz_defineMethod (c$, "copyTo", +function (pt, asc) { +var a = asc.newCloneAtom (this); +a.setT (pt); +return a; +}, "JU.P3,J.adapter.smarter.AtomSetCollection"); Clazz_defineStatics (c$, "elementCharMasks", Clazz_newIntArray (-1, [1972292, -2147351151, -2146019271, -2130706430, 1441792, -2147348464, 25, -2147205008, -2147344384, 0, -2147352576, 1179905, 548936, -2147434213, -2147221504, -2145759221, 0, 1056947, -2147339946, -2147477097, -2147483648, -2147483648, -2147483648, 8388624, -2147483646, 139264])); }); @@ -16429,6 +16501,10 @@ Clazz_overrideMethod (c$, "getRadius", function () { return this.atom.radius; }); +Clazz_overrideMethod (c$, "getBondRadius", +function () { +return this.atom.bondRadius; +}); Clazz_overrideMethod (c$, "getVib", function () { return (this.atom.vib == null || Float.isNaN (this.atom.vib.z) ? null : this.atom.vib); @@ -16509,6 +16585,7 @@ this.trajectoryNames = null; this.doFixPeriodic = false; this.allowMultiple = false; this.readerList = null; +this.atomMapAnyCase = false; this.bsStructuredModels = null; this.haveAnisou = false; this.baseSymmetryAtomCount = 0; @@ -16558,6 +16635,8 @@ var p = new java.util.Properties (); p.put ("PATH_KEY", ".PATH"); p.put ("PATH_SEPARATOR", J.adapter.smarter.SmarterJmolAdapter.PATH_SEPARATOR); this.setInfo ("properties", p); +var modelIndex = (reader == null ? null : reader.htParams.get ("appendToModelIndex")); +if (modelIndex != null) this.setInfo ("appendToModelIndex", modelIndex); if (array != null) { var n = 0; this.readerList = new JU.Lst (); @@ -16585,7 +16664,7 @@ function () { if (!this.isTrajectory) this.trajectorySteps = new JU.Lst (); this.isTrajectory = true; var n = (this.bsAtoms == null ? this.ac : this.bsAtoms.cardinality ()); -if (n == 0) return; +if (n <= 1) return; var trajectoryStep = new Array (n); var haveVibrations = (n > 0 && this.atoms[0].vib != null && !Float.isNaN (this.atoms[0].vib.z)); var vibrationStep = (haveVibrations ? new Array (n) : null); @@ -16626,16 +16705,8 @@ if (atomInfo != null) atomInfo[0] += existingAtomsCount; this.setCurrentModelInfo ("title", collection.collectionName); this.setAtomSetName (collection.getAtomSetName (atomSetNum)); for (var atomNum = 0; atomNum < collection.atomSetAtomCounts[atomSetNum]; atomNum++) { -try { if (this.bsAtoms != null) this.bsAtoms.set (this.ac); this.newCloneAtom (collection.atoms[clonedAtoms]); -} catch (e) { -if (Clazz_exceptionOf (e, Exception)) { -this.errorMessage = "appendAtomCollection error: " + e; -} else { -throw e; -} -} clonedAtoms++; } this.atomSetNumbers[this.iSet] = (collectionIndex < 0 ? this.iSet + 1 : ((collectionIndex + 1) * 1000000) + collection.atomSetNumbers[atomSetNum]); @@ -16791,6 +16862,7 @@ for (var i = this.ac; --i >= 0; ) this.atoms[i] = null; this.ac = 0; this.atomSymbolicMap.clear (); +this.atomMapAnyCase = false; this.atomSetCount = 0; this.iSet = -1; for (var i = this.atomSetAuxiliaryInfo.length; --i >= 0; ) { @@ -16895,14 +16967,31 @@ Clazz_defineMethod (c$, "getAtomFromName", function (atomName) { return this.atomSymbolicMap.get (atomName); }, "~S"); +Clazz_defineMethod (c$, "setAtomMapAnyCase", +function () { +this.atomMapAnyCase = true; +var newMap = new java.util.Hashtable (); +newMap.putAll (this.atomSymbolicMap); +for (var e, $e = this.atomSymbolicMap.entrySet ().iterator (); $e.hasNext () && ((e = $e.next ()) || true);) { +var name = e.getKey (); +var uc = name.toUpperCase (); +if (!uc.equals (name)) newMap.put (uc, e.getValue ()); +} +this.atomSymbolicMap = newMap; +}); Clazz_defineMethod (c$, "getAtomIndex", function (name) { var a = this.atomSymbolicMap.get (name); +if (a == null && this.atomMapAnyCase) a = this.atomSymbolicMap.get (name.toUpperCase ()); return (a == null ? -1 : a.index); }, "~S"); Clazz_defineMethod (c$, "addNewBondWithOrder", function (atomIndex1, atomIndex2, order) { -if (atomIndex1 >= 0 && atomIndex1 < this.ac && atomIndex2 >= 0 && atomIndex2 < this.ac && atomIndex1 != atomIndex2) this.addBond ( new J.adapter.smarter.Bond (atomIndex1, atomIndex2, order)); +var b = null; +if (atomIndex1 >= 0 && atomIndex1 < this.ac && atomIndex2 >= 0 && atomIndex2 < this.ac && atomIndex1 != atomIndex2) { +b = new J.adapter.smarter.Bond (atomIndex1, atomIndex2, order); +this.addBond (b); +}return b; }, "~N,~N,~N"); Clazz_defineMethod (c$, "addNewBondFromNames", function (atomName1, atomName2, order) { @@ -17062,6 +17151,7 @@ ii++; } this.setInfo ("trajectorySteps", this.trajectorySteps); if (this.vibrationSteps != null) this.setInfo ("vibrationSteps", this.vibrationSteps); +if (this.ac == 0) this.ac = trajectory.length; }); Clazz_defineMethod (c$, "newAtomSet", function () { @@ -17085,8 +17175,10 @@ this.atomSetNumbers = JU.AU.doubleLengthI (this.atomSetNumbers); this.atomSetNumbers[this.iSet + this.trajectoryStepCount] = this.atomSetCount + this.trajectoryStepCount; } else { this.atomSetNumbers[this.iSet] = this.atomSetCount; -}if (doClearMap) this.atomSymbolicMap.clear (); -this.setCurrentModelInfo ("title", this.collectionName); +}if (doClearMap) { +this.atomSymbolicMap.clear (); +this.atomMapAnyCase = false; +}this.setCurrentModelInfo ("title", this.collectionName); }, "~B"); Clazz_defineMethod (c$, "getAtomSetAtomIndex", function (i) { @@ -17391,15 +17483,20 @@ this.fileOffsetFractional = null; this.unitCellOffset = null; this.unitCellOffsetFractional = false; this.moreUnitCellInfo = null; +this.paramsLattice = null; +this.paramsCentroid = false; +this.paramsPacked = false; this.filePath = null; this.fileName = null; -this.stateScriptVersionInt = 2147483647; this.baseAtomIndex = 0; +this.baseBondIndex = 0; +this.stateScriptVersionInt = 2147483647; this.isFinalized = false; this.haveModel = false; this.previousSpaceGroup = null; this.previousUnitCell = null; this.nMatrixElements = 0; +this.ucItems = null; this.matUnitCellOrientation = null; this.bsFilter = null; this.filter = null; @@ -17430,6 +17527,7 @@ this.nameRequired = null; this.doCentroidUnitCell = false; this.centroidPacked = false; this.strSupercell = null; +this.allow_a_len_1 = false; this.filter1 = null; this.filter2 = null; this.matRot = null; @@ -17487,8 +17585,10 @@ Clazz_defineMethod (c$, "fixBaseIndices", try { var baseModelIndex = (this.htParams.get ("baseModelIndex")).intValue (); this.baseAtomIndex += this.asc.ac; +this.baseBondIndex += this.asc.bondCount; baseModelIndex += this.asc.atomSetCount; this.htParams.put ("baseAtomIndex", Integer.$valueOf (this.baseAtomIndex)); +this.htParams.put ("baseBondIndex", Integer.$valueOf (this.baseBondIndex)); this.htParams.put ("baseModelIndex", Integer.$valueOf (baseModelIndex)); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { @@ -17549,8 +17649,10 @@ Clazz_defineMethod (c$, "finalizeReaderASCR", function () { this.isFinalized = true; if (this.asc.atomSetCount > 0) { -if (this.asc.atomSetCount == 1) this.asc.setCurrentModelInfo ("dbName", this.htParams.get ("dbName")); -this.applySymmetryAndSetTrajectory (); +if (this.asc.atomSetCount == 1) { +this.asc.setCurrentModelInfo ("dbName", this.htParams.get ("dbName")); +this.asc.setCurrentModelInfo ("auxFiles", this.htParams.get ("auxFiles")); +}this.applySymmetryAndSetTrajectory (); this.asc.finalizeStructures (); if (this.doCentralize) this.asc.centralize (); if (this.fillRange != null) this.asc.setInfo ("boundbox", this.fillRange); @@ -17628,19 +17730,15 @@ return this.asc; }); Clazz_defineMethod (c$, "setError", function (e) { -var s; -{ -if (e.getMessage) -s = e.getMessage(); -else -s = e.toString(); -}if (this.line == null) this.asc.errorMessage = "Error reading file at end of file \n" + s; +var s = e.getMessage (); +if (this.line == null) this.asc.errorMessage = "Error reading file at end of file \n" + s; else this.asc.errorMessage = "Error reading file at line " + this.ptLine + ":\n" + this.line + "\n" + s; e.printStackTrace (); }, "Throwable"); Clazz_defineMethod (c$, "initialize", function () { if (this.htParams.containsKey ("baseAtomIndex")) this.baseAtomIndex = (this.htParams.get ("baseAtomIndex")).intValue (); +if (this.htParams.containsKey ("baseBondIndex")) this.baseBondIndex = (this.htParams.get ("baseBondIndex")).intValue (); this.initializeSymmetry (); this.vwr = this.htParams.remove ("vwr"); if (this.htParams.containsKey ("stateScriptVersionInt")) this.stateScriptVersionInt = (this.htParams.get ("stateScriptVersionInt")).intValue (); @@ -17692,6 +17790,9 @@ for (var i = this.firstLastStep[0]; i <= this.firstLastStep[1]; i += this.firstL }}if (this.bsModels != null && (this.firstLastStep == null || this.firstLastStep[1] != -1)) this.lastModelNumber = this.bsModels.length (); this.symmetryRange = (this.htParams.containsKey ("symmetryRange") ? (this.htParams.get ("symmetryRange")).floatValue () : 0); +this.paramsLattice = this.htParams.get ("lattice"); +this.paramsCentroid = this.htParams.containsKey ("centroid"); +this.paramsPacked = this.htParams.containsKey ("packed"); this.initializeSymmetryOptions (); if (this.htParams.containsKey ("spaceGroupIndex")) { this.desiredSpaceGroupIndex = (this.htParams.get ("spaceGroupIndex")).intValue (); @@ -17723,7 +17824,7 @@ Clazz_defineMethod (c$, "initializeSymmetryOptions", function () { this.latticeCells = Clazz_newIntArray (4, 0); this.doApplySymmetry = false; -var pt = this.htParams.get ("lattice"); +var pt = this.paramsLattice; if (pt == null || pt.length () == 0) { if (!this.forcePacked && this.strSupercell == null) return; pt = JU.P3.new3 (1, 1, 1); @@ -17731,9 +17832,9 @@ pt = JU.P3.new3 (1, 1, 1); this.latticeCells[1] = Clazz_floatToInt (pt.y); this.latticeCells[2] = Clazz_floatToInt (pt.z); if (Clazz_instanceOf (pt, JU.T4)) this.latticeCells[3] = Clazz_floatToInt ((pt).w); -this.doCentroidUnitCell = (this.htParams.containsKey ("centroid")); +this.doCentroidUnitCell = this.paramsCentroid; if (this.doCentroidUnitCell && (this.latticeCells[2] == -1 || this.latticeCells[2] == 0)) this.latticeCells[2] = 1; -var isPacked = this.forcePacked || this.htParams.containsKey ("packed"); +var isPacked = this.forcePacked || this.paramsPacked; this.centroidPacked = this.doCentroidUnitCell && isPacked; this.doPackUnitCell = !this.doCentroidUnitCell && (isPacked || this.latticeCells[2] < 0); this.doApplySymmetry = (this.latticeCells[0] > 0 && this.latticeCells[1] > 0); @@ -17791,7 +17892,7 @@ Clazz_defineMethod (c$, "setSpaceGroupName", function (name) { if (this.ignoreFileSpaceGroupName || name == null) return; var s = name.trim (); -if (s.equals (this.sgName)) return; +if (s.length == 0 || s.equals ("HM:") || s.equals (this.sgName)) return; if (!s.equals ("P1")) JU.Logger.info ("Setting space group name to " + s); this.sgName = s; }, "~S"); @@ -17821,7 +17922,11 @@ this.checkUnitCell (6); Clazz_defineMethod (c$, "setUnitCellItem", function (i, x) { if (this.ignoreFileUnitCell) return; -if (i == 0 && x == 1 && !this.checkFilterKey ("TOPOS") || i == 3 && x == 0) return; +if (i == 0 && x == 1 && !this.allow_a_len_1 || i == 3 && x == 0) { +if (this.ucItems == null) this.ucItems = Clazz_newFloatArray (6, 0); +this.ucItems[i] = x; +return; +}if (this.ucItems != null && i < 6) this.ucItems[i] = x; if (!Float.isNaN (x) && i >= 6 && Float.isNaN (this.unitCellParams[6])) this.initializeCartesianToFractional (); this.unitCellParams[i] = x; if (this.debugging) { @@ -17924,6 +18029,7 @@ this.isDSSP1 = this.checkFilterKey ("DSSP1"); this.doReadMolecularOrbitals = !this.checkFilterKey ("NOMO"); this.useAltNames = this.checkFilterKey ("ALTNAME"); this.reverseModels = this.checkFilterKey ("REVERSEMODELS"); +this.allow_a_len_1 = this.checkFilterKey ("TOPOS"); if (this.filter == null) return; if (this.checkFilterKey ("HETATM")) { this.filterHetero = true; @@ -17939,13 +18045,13 @@ if (this.nameRequired.startsWith ("'")) this.nameRequired = JU.PT.split (this.na this.filter = JU.PT.rep (this.filter, this.nameRequired, ""); filter0 = this.filter = JU.PT.rep (this.filter, "NAME=", ""); }this.filterAtomName = this.checkFilterKey ("*.") || this.checkFilterKey ("!."); -this.filterElement = this.checkFilterKey ("_"); +if (this.filter.startsWith ("_") || this.filter.indexOf (";_") >= 0) this.filterElement = this.checkFilterKey ("_"); this.filterGroup3 = this.checkFilterKey ("["); this.filterChain = this.checkFilterKey (":"); this.filterAltLoc = this.checkFilterKey ("%"); this.filterEveryNth = this.checkFilterKey ("/="); if (this.filterEveryNth) this.filterN = this.parseIntAt (this.filter, this.filter.indexOf ("/=") + 2); - else this.filterAtomType = this.checkFilterKey ("="); + else if (this.filter.startsWith ("=") || this.filter.indexOf (";=") >= 0) this.filterAtomType = this.checkFilterKey ("="); if (this.filterN == -2147483648) this.filterEveryNth = false; this.haveAtomFilter = this.filterAtomName || this.filterAtomType || this.filterElement || this.filterGroup3 || this.filterChain || this.filterAltLoc || this.filterHetero || this.filterEveryNth || this.checkFilterKey ("/="); if (this.bsFilter == null) { @@ -17973,6 +18079,13 @@ Clazz_defineMethod (c$, "checkFilterKey", function (key) { return (this.filter != null && this.filter.indexOf (key) >= 0); }, "~S"); +Clazz_defineMethod (c$, "checkAndRemoveFilterKey", +function (key) { +if (!this.checkFilterKey (key)) return false; +this.filter = JU.PT.rep (this.filter, key, ""); +if (this.filter.length < 3) this.filter = null; +return true; +}, "~S"); Clazz_defineMethod (c$, "filterAtom", function (atom, iAtom) { if (!this.haveAtomFilter) return true; @@ -18002,6 +18115,7 @@ Clazz_defineMethod (c$, "set2D", function () { this.asc.setInfo ("is2D", Boolean.TRUE); if (!this.checkFilterKey ("NOMIN")) this.asc.setInfo ("doMinimize", Boolean.TRUE); +this.appendLoadNote ("This model is 2D. Its 3D structure will be generated."); }); Clazz_defineMethod (c$, "doGetVibration", function (vibrationNumber) { @@ -18289,7 +18403,7 @@ this.prevline = this.line; this.line = this.reader.readLine (); if (this.out != null && this.line != null) this.out.append (this.line).append ("\n"); this.ptLine++; -if (this.debugging && this.line != null) JU.Logger.debug (this.line); +if (this.debugging && this.line != null) JU.Logger.info (this.line); return this.line; }); c$.getStrings = Clazz_defineMethod (c$, "getStrings", @@ -18478,6 +18592,7 @@ this.order = 0; this.radius = -1; this.colix = -1; this.uniqueID = -1; +this.distance = 0; Clazz_instantialize (this, arguments); }, J.adapter.smarter, "Bond", J.adapter.smarter.AtomSetObject); Clazz_makeConstructor (c$, @@ -18487,6 +18602,14 @@ this.atomIndex1 = atomIndex1; this.atomIndex2 = atomIndex2; this.order = order; }, "~N,~N,~N"); +Clazz_makeConstructor (c$, +function () { +Clazz_superConstructor (this, J.adapter.smarter.Bond, []); +}); +Clazz_overrideMethod (c$, "toString", +function () { +return "[Bond " + this.atomIndex1 + " " + this.atomIndex2 + " " + this.order + "]"; +}); }); Clazz_declarePackage ("J.adapter.smarter"); Clazz_load (["J.api.JmolAdapterBondIterator"], "J.adapter.smarter.BondIterator", null, function () { @@ -18644,6 +18767,7 @@ var leader = llr.getHeader (64).trim (); if (leader.indexOf ("PNG") == 1 && leader.indexOf ("PNGJ") >= 0) return "pngj"; if (leader.indexOf ("PNG") == 1 || leader.indexOf ("JPG") == 1 || leader.indexOf ("JFIF") == 6) return "spt"; if (leader.indexOf ("\"num_pairs\"") >= 0) return "dssr"; +if (leader.indexOf ("output.31\n") >= 0) return "GenNBO|output.31"; if ((readerName = J.adapter.smarter.Resolver.checkFileStart (leader)) != null) { return (readerName.equals ("Xml") ? J.adapter.smarter.Resolver.getXmlType (llr.getHeader (0)) : readerName); }var lines = new Array (16); @@ -18690,6 +18814,8 @@ case 1: return "Xyz"; case 2: return "Bilbao"; +case 3: +return "PWmat"; } if (J.adapter.smarter.Resolver.checkAlchemy (lines[0])) return "Alchemy"; if (J.adapter.smarter.Resolver.checkFoldingXyz (lines)) return "FoldingXyz"; @@ -18755,7 +18881,7 @@ return (leader.indexOf ("$GENNBO") >= 0 || lines[1].startsWith (" Basis set info c$.checkMol = Clazz_defineMethod (c$, "checkMol", function (lines) { var line4trimmed = ("X" + lines[3]).trim ().toUpperCase (); -if (line4trimmed.length < 7 || line4trimmed.indexOf (".") >= 0) return 0; +if (line4trimmed.length < 7 || line4trimmed.indexOf (".") >= 0 || lines[0].startsWith ("data_")) return 0; if (line4trimmed.endsWith ("V2000")) return 2000; if (line4trimmed.endsWith ("V3000")) return 3000; var n1 = JU.PT.parseInt (lines[3].substring (0, 3).trim ()); @@ -18788,7 +18914,7 @@ return (lines[2].startsWith ("MODE OF CALC=") || lines[2].startsWith (" }, "~A"); c$.checkXyz = Clazz_defineMethod (c$, "checkXyz", function (lines) { -if (J.adapter.smarter.Resolver.isInt (lines[0].trim ())) return (J.adapter.smarter.Resolver.isInt (lines[2].trim ()) ? 2 : 1); +if (J.adapter.smarter.Resolver.isInt (lines[0].trim ())) return (J.adapter.smarter.Resolver.isInt (lines[2]) ? 2 : lines.length > 5 && lines[5].length > 8 && lines[5].substring (0, 8).equalsIgnoreCase ("position") ? 3 : 1); return (lines[0].indexOf ("Bilabao Crys") >= 0 ? 2 : 0); }, "~A"); c$.checkLineStarts = Clazz_defineMethod (c$, "checkLineStarts", @@ -18882,7 +19008,7 @@ return null; }, "~A"); Clazz_defineStatics (c$, "classBase", "J.adapter.readers."); -c$.readerSets = c$.prototype.readerSets = Clazz_newArray (-1, ["cif.", ";Cif;Cif2;MMCif;MMTF;MagCif", "molxyz.", ";Mol3D;Mol;Xyz;", "more.", ";AFLOW;BinaryDcd;Gromacs;Jcampdx;MdCrd;MdTop;Mol2;TlsDataOnly;", "quantum.", ";Adf;Csf;Dgrid;GamessUK;GamessUS;Gaussian;GaussianFchk;GaussianWfn;Jaguar;Molden;MopacGraphf;GenNBO;NWChem;Psi;Qchem;QCJSON;WebMO;MO;", "pdb.", ";Pdb;Pqr;P2n;JmolData;", "pymol.", ";PyMOL;", "simple.", ";Alchemy;Ampac;Cube;FoldingXyz;GhemicalMM;HyperChem;Jme;JSON;Mopac;MopacArchive;Tinker;Input;FAH;", "spartan.", ";Spartan;SpartanSmol;Odyssey;", "xtal.", ";Abinit;Aims;Bilbao;Castep;Cgd;Crystal;Dmol;Espresso;Gulp;Jana;Magres;Shelx;Siesta;VaspOutcar;VaspPoscar;Wien2k;Xcrysden;", "xml.", ";XmlArgus;XmlCml;XmlChem3d;XmlMolpro;XmlOdyssey;XmlXsd;XmlVasp;XmlQE;"]); +c$.readerSets = c$.prototype.readerSets = Clazz_newArray (-1, ["cif.", ";Cif;Cif2;MMCif;MMTF;MagCif", "molxyz.", ";Mol3D;Mol;Xyz;", "more.", ";AFLOW;BinaryDcd;Gromacs;Jcampdx;MdCrd;MdTop;Mol2;TlsDataOnly;", "quantum.", ";Adf;Csf;Dgrid;GamessUK;GamessUS;Gaussian;GaussianFchk;GaussianWfn;Jaguar;Molden;MopacGraphf;GenNBO;NWChem;Psi;Qchem;QCJSON;WebMO;MO;", "pdb.", ";Pdb;Pqr;P2n;JmolData;", "pymol.", ";PyMOL;", "simple.", ";Alchemy;Ampac;Cube;FoldingXyz;GhemicalMM;HyperChem;Jme;JSON;Mopac;MopacArchive;Tinker;Input;FAH;", "spartan.", ";Spartan;SpartanSmol;Odyssey;", "xtal.", ";Abinit;Aims;Bilbao;Castep;Cgd;Crystal;Dmol;Espresso;Gulp;Jana;Magres;Shelx;Siesta;VaspOutcar;VaspPoscar;Wien2k;Xcrysden;PWmat;", "xml.", ";XmlArgus;XmlCml;XmlChem3d;XmlMolpro;XmlOdyssey;XmlXsd;XmlVasp;XmlQE;"]); Clazz_defineStatics (c$, "CML_NAMESPACE_URI", "http://www.xml-cml.org/schema", "LEADER_CHAR_MAX", 64, @@ -18903,7 +19029,7 @@ Clazz_defineStatics (c$, "jmoldataStartRecords", Clazz_newArray (-1, ["JmolData", "REMARK 6 Jmol"]), "pqrStartRecords", Clazz_newArray (-1, ["Pqr", "REMARK 1 PQR", "REMARK The B-factors"]), "p2nStartRecords", Clazz_newArray (-1, ["P2n", "REMARK 1 P2N"]), -"cif2StartRecords", Clazz_newArray (-1, ["Cif2", "#\\#CIF_2"]), +"cif2StartRecords", Clazz_newArray (-1, ["Cif2", "#\\#CIF_2", "\u00EF\u00BB\u00BF#\\#CIF_2"]), "xmlStartRecords", Clazz_newArray (-1, ["Xml", "= 0 ? "JmolApplet/" : "Jmol/") + name + ".po"); -var data = new Array (1); -JU.Rdr.readAllAsString (br, 2147483647, false, data, 0); -poData = data[0]; -} catch (e) { -if (Clazz_exceptionOf (e, java.io.IOException)) { -return null; -} else { -throw e; -} -} -}return J.i18n.Resource.getResourceFromPO (poData); +{ +}}return J.i18n.Resource.getResourceFromPO (poData); }, "JV.Viewer,~S,~S"); Clazz_defineMethod (c$, "getString", function (string) { @@ -25073,7 +25185,7 @@ return JU.PT.rep (line.substring (line.indexOf ("\"") + 1, line.lastIndexOf ("\" }, "~S"); }); Clazz_declarePackage ("J.io"); -Clazz_load (null, "J.io.FileReader", ["java.io.BufferedInputStream", "$.BufferedReader", "$.Reader", "javajs.api.GenericBinaryDocument", "$.ZInputStream", "JU.AU", "$.PT", "$.Rdr", "J.api.Interface", "JU.Logger"], function () { +Clazz_load (null, "J.io.FileReader", ["java.io.BufferedInputStream", "$.BufferedReader", "$.Reader", "java.util.zip.ZipInputStream", "javajs.api.GenericBinaryDocument", "JU.AU", "$.PT", "$.Rdr", "J.api.Interface", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { this.vwr = null; this.fileNameIn = null; @@ -25119,7 +25231,7 @@ this.atomSetCollection = errorMessage; return; }if (Clazz_instanceOf (t, java.io.BufferedReader)) { this.readerOrDocument = t; -} else if (Clazz_instanceOf (t, javajs.api.ZInputStream)) { +} else if (Clazz_instanceOf (t, java.util.zip.ZipInputStream)) { var name = this.fullPathNameIn; var subFileList = null; name = name.$replace ('\\', '/'); @@ -25443,12 +25555,12 @@ frank.getFont (imageFontScaling); var dx = Clazz_floatToInt (frank.frankWidth + 4 * imageFontScaling); var dy = frank.frankDescent; this.g3d.drawStringNoSlab (frank.frankString, frank.font3d, this.vwr.gdata.width - dx, this.vwr.gdata.height - dy, 0, 0); -if (modelKitMode) { +var kit = (modelKitMode ? this.vwr.getModelkit (false) : null); +if (modelKitMode && !kit.isHidden ()) { this.g3d.setC (12); var w = 10; var h = 26; this.g3d.fillTextRect (0, 0, 1, 0, w, h * 4); -var kit = this.vwr.getModelkit (false); var active = kit.getActiveMenu (); if (active != null) { if ("atomMenu".equals (active)) { @@ -26171,6 +26283,8 @@ this.tryPt = 0; this.theToken = null; this.theTok = 0; this.pointers = null; +this.why = null; +this.privateFuncs = null; Clazz_instantialize (this, arguments); }, JS, "ScriptContext"); Clazz_makeConstructor (c$, @@ -27286,6 +27400,10 @@ function (x1, x2) { if (x1 == null || x2 == null) return false; if (x1.tok == x2.tok) { switch (x1.tok) { +case 2: +if (x2.tok == 2) { +return x1.intValue == x2.intValue; +}break; case 4: return (x1.value).equalsIgnoreCase (x2.value); case 10: @@ -27392,8 +27510,9 @@ return n; }, "JS.T"); c$.fflistValue = Clazz_defineMethod (c$, "fflistValue", function (x, nMin) { -if (x.tok != 7) return Clazz_newArray (-1, [ Clazz_newFloatArray (-1, [JS.SV.fValue (x)])]); -var sv = (x).getList (); +if (x.tok != 7) { +return Clazz_newArray (-1, [ Clazz_newFloatArray (-1, [JS.SV.fValue (x)])]); +}var sv = (x).getList (); var svlen = sv.size (); var list; list = JU.AU.newFloat2 (svlen); @@ -27404,7 +27523,7 @@ return list; }, "JS.T,~N"); c$.flistValue = Clazz_defineMethod (c$, "flistValue", function (x, nMin) { -if (x.tok != 7) return Clazz_newFloatArray (-1, [JS.SV.fValue (x)]); +if (x == null || x.tok != 7) return Clazz_newFloatArray (-1, [JS.SV.fValue (x)]); var sv = (x).getList (); var list; list = Clazz_newFloatArray (Math.max (nMin, sv.size ()), 0); @@ -27463,6 +27582,8 @@ c$.isScalar = Clazz_defineMethod (c$, "isScalar", function (x) { switch (x.tok) { case 7: +case 11: +case 12: return false; case 4: return ((x.value).indexOf ("\n") < 0); @@ -27627,6 +27748,8 @@ var d = JS.SV.fValue (b); return (c < d ? -1 : c > d ? 1 : 0); }if (a.tok == 4 || b.tok == 4) return JS.SV.sValue (a).compareTo (JS.SV.sValue (b)); }switch (a.tok) { +case 2: +return (a.intValue < b.intValue ? -1 : a.intValue > b.intValue ? 1 : 0); case 4: return JS.SV.sValue (a).compareTo (JS.SV.sValue (b)); case 7: @@ -27940,7 +28063,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "hbond", 1613238294, "history", 1610616855, "image", 4120, -"initialize", 266265, +"initialize", 4121, "invertSelected", 4122, "loop", 528411, "macro", 4124, @@ -27953,6 +28076,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "navigate", 4131, "parallel", 102436, "plot", 4133, +"privat", 4134, "process", 102439, "quit", 266281, "ramachandran", 4138, @@ -28203,10 +28327,10 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "getproperty", 1275072526, "helix", 136314895, "$in", 1275068432, +"inchi", 1275068433, "label", 1825200146, "measure", 1745489939, "modulation", 1275072532, -"now", 134217749, "pivot", 1275068437, "plane", 134217750, "point", 134217751, @@ -28249,6 +28373,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "smiles", 134218757, "contact", 134353926, "eval", 134218759, +"now", 134218760, "add", 1275069441, "cross", 1275069442, "distance", 1275069443, @@ -28331,14 +28456,15 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "bondtolerance", 570425348, "cameradepth", 570425350, "defaultdrawarrowscale", 570425352, -"defaulttranslucent", 570425354, -"dipolescale", 570425355, -"drawfontsize", 570425356, -"ellipsoidaxisdiameter", 570425357, -"exportscale", 570425358, -"gestureswipefactor", 570425359, -"hbondsangleminimum", 570425360, -"hbondsdistancemaximum", 570425361, +"defaulttranslucent", 570425353, +"dipolescale", 570425354, +"drawfontsize", 570425355, +"ellipsoidaxisdiameter", 570425356, +"exportscale", 570425357, +"gestureswipefactor", 570425358, +"hbondsangleminimum", 570425359, +"hbondnodistancemaximum", 570425360, +"hbondhxdistancemaximum", 570425361, "hoverdelay", 570425362, "loadatomdatatolerance", 570425363, "minbonddistance", 570425364, @@ -28446,12 +28572,13 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "cartoonsteps", 603979811, "bondmodeor", 603979812, "bondpicking", 603979814, -"cartoonbaseedges", 603979816, -"cartoonsfancy", 603979817, -"cartoonladders", 603979818, -"cartoonribose", 603979819, -"cartoonrockets", 603979820, -"celshading", 603979821, +"cartoonbaseedges", 603979815, +"cartoonsfancy", 603979816, +"cartoonladders", 603979817, +"cartoonribose", 603979818, +"cartoonrockets", 603979819, +"celshading", 603979820, +"checkcir", 603979821, "chaincasesensitive", 603979822, "ciprule6full", 603979823, "colorrasmol", 603979824, @@ -28605,7 +28732,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "cancel", 1073741874, "cap", 1073741875, "cavity", 1073741876, -"check", 1073741878, +"check", 1073741877, "chemical", 1073741879, "circle", 1073741880, "clash", 1073741881, @@ -28664,7 +28791,6 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "homo", 1073741973, "id", 1073741974, "ignore", 1073741976, -"inchi", 1073741977, "inchikey", 1073741978, "increment", 1073741981, "info", 1073741982, @@ -28888,8 +29014,8 @@ JS.T.tokenMap.put (lcase, tokenThis); tokenLast = tokenThis; } arrayPairs = null; -var sTokens = Clazz_newArray (-1, ["+=", "-=", "*=", "/=", "\\=", "&=", "|=", "not", "!", "xor", "tog", "<", "<=", ">=", ">", "!=", "<>", "LIKE", "within", ".", "..", "[", "]", "{", "}", "$", "%", ";", "++", "--", "**", "\\", "animation", "anim", "assign", "axes", "backbone", "background", "bind", "bondorder", "boundbox", "boundingBox", "break", "calculate", "capture", "cartoon", "cartoons", "case", "catch", "cd", "center", "centre", "centerat", "cgo", "color", "colour", "compare", "configuration", "conformation", "config", "connect", "console", "contact", "contacts", "continue", "data", "default", "define", "@", "delay", "delete", "density", "depth", "dipole", "dipoles", "display", "dot", "dots", "draw", "echo", "ellipsoid", "ellipsoids", "else", "elseif", "end", "endif", "exit", "eval", "file", "files", "font", "for", "format", "frame", "frames", "frank", "function", "functions", "geosurface", "getProperty", "goto", "halo", "halos", "helix", "helixalpha", "helix310", "helixpi", "hbond", "hbonds", "help", "hide", "history", "hover", "if", "in", "initialize", "invertSelected", "isosurface", "javascript", "label", "labels", "lcaoCartoon", "lcaoCartoons", "load", "log", "loop", "measure", "measures", "monitor", "monitors", "meshribbon", "meshribbons", "message", "minimize", "minimization", "mo", "model", "models", "modulation", "move", "moveTo", "mutate", "navigate", "navigation", "nbo", "origin", "out", "parallel", "pause", "wait", "plot", "plot3d", "pmesh", "polygon", "polyhedra", "polyhedron", "print", "process", "prompt", "quaternion", "quaternions", "quit", "ramachandran", "rama", "refresh", "reset", "unset", "restore", "restrict", "return", "ribbon", "ribbons", "rocket", "rockets", "rotate", "rotateSelected", "save", "select", "selectionHalos", "selectionHalo", "showSelections", "sheet", "show", "slab", "spacefill", "cpk", "spin", "ssbond", "ssbonds", "star", "stars", "step", "steps", "stereo", "strand", "strands", "structure", "_structure", "strucNo", "struts", "strut", "subset", "subsystem", "synchronize", "sync", "trace", "translate", "translateSelected", "try", "unbind", "unitcell", "var", "vector", "vectors", "vibration", "while", "wireframe", "write", "zap", "zoom", "zoomTo", "atom", "atoms", "axisangle", "basepair", "basepairs", "orientation", "orientations", "pdbheader", "polymer", "polymers", "residue", "residues", "rotation", "row", "sequence", "seqcode", "shape", "state", "symbol", "symmetry", "spaceGroup", "transform", "translation", "url", "_", "abs", "absolute", "acos", "add", "adpmax", "adpmin", "align", "altloc", "altlocs", "ambientOcclusion", "amino", "angle", "array", "as", "atomID", "_atomID", "_a", "atomIndex", "atomName", "atomno", "atomType", "atomX", "atomY", "atomZ", "average", "babel", "babel21", "back", "backlit", "backshell", "balls", "baseModel", "best", "beta", "bin", "bondCount", "bonded", "bottom", "branch", "brillouin", "bzone", "wignerSeitz", "cache", "carbohydrate", "cell", "chain", "chains", "chainNo", "chemicalShift", "cs", "clash", "clear", "clickable", "clipboard", "connected", "context", "constraint", "contourLines", "coord", "coordinates", "coords", "cos", "cross", "covalentRadius", "covalent", "direction", "displacement", "displayed", "distance", "div", "DNA", "domains", "dotted", "DSSP", "DSSR", "element", "elemno", "_e", "error", "exportScale", "fill", "find", "fixedTemperature", "forcefield", "formalCharge", "charge", "eta", "front", "frontlit", "frontOnly", "fullylit", "fx", "fy", "fz", "fxyz", "fux", "fuy", "fuz", "fuxyz", "group", "groups", "group1", "groupID", "_groupID", "_g", "groupIndex", "hidden", "highlight", "hkl", "hydrophobicity", "hydrophobic", "hydro", "id", "identify", "ident", "image", "info", "infoFontSize", "inline", "insertion", "insertions", "intramolecular", "intra", "intermolecular", "inter", "bondingRadius", "ionicRadius", "ionic", "isAromatic", "Jmol", "JSON", "join", "keys", "last", "left", "length", "lines", "list", "magneticShielding", "ms", "mass", "max", "mep", "mesh", "middle", "min", "mlp", "mode", "modify", "modifyOrCreate", "modt", "modt1", "modt2", "modt3", "modx", "mody", "modz", "modo", "modxyz", "molecule", "molecules", "modelIndex", "monomer", "morph", "movie", "mouse", "mul", "mul3", "nboCharges", "nci", "next", "noDelay", "noDots", "noFill", "noMesh", "none", "null", "inherit", "normal", "noBackshell", "noContourLines", "notFrontOnly", "noTriangles", "now", "nucleic", "occupancy", "omega", "only", "opaque", "options", "partialCharge", "phi", "pivot", "plane", "planar", "play", "playRev", "point", "points", "pointGroup", "polymerLength", "pop", "previous", "prev", "probe", "property", "properties", "protein", "psi", "purine", "push", "PyMOL", "pyrimidine", "random", "range", "rasmol", "replace", "resno", "resume", "rewind", "reverse", "right", "rmsd", "RNA", "rna3d", "rock", "rubberband", "saSurface", "saved", "scale", "scene", "search", "smarts", "selected", "seqid", "shapely", "sidechain", "sin", "site", "size", "smiles", "substructure", "solid", "sort", "specialPosition", "sqrt", "split", "starWidth", "starScale", "stddev", "straightness", "structureId", "supercell", "sub", "sum", "sum2", "surface", "surfaceDistance", "symop", "sx", "sy", "sz", "sxyz", "temperature", "relativeTemperature", "tensor", "theta", "thisModel", "ticks", "top", "torsion", "trajectory", "trajectories", "translucent", "transparent", "triangles", "trim", "type", "ux", "uy", "uz", "uxyz", "user", "valence", "vanderWaals", "vdw", "vdwRadius", "visible", "volume", "vx", "vy", "vz", "vxyz", "xyz", "w", "x", "y", "z", "addHydrogens", "allConnected", "angstroms", "anisotropy", "append", "arc", "area", "aromatic", "arrow", "async", "audio", "auto", "axis", "barb", "binary", "blockData", "cancel", "cap", "cavity", "centroid", "check", "chemical", "circle", "collapsed", "col", "colorScheme", "command", "commands", "contour", "contours", "corners", "count", "criterion", "create", "crossed", "curve", "cutoff", "cylinder", "diameter", "discrete", "distanceFactor", "downsample", "drawing", "dynamicMeasurements", "eccentricity", "ed", "edges", "edgesOnly", "energy", "exitJmol", "faceCenterOffset", "filter", "first", "fixed", "fix", "flat", "fps", "from", "frontEdges", "full", "fullPlane", "functionXY", "functionXYZ", "gridPoints", "hiddenLinesDashed", "homo", "ignore", "InChI", "InChIKey", "increment", "insideout", "interior", "intersection", "intersect", "internal", "lattice", "line", "lineData", "link", "lobe", "lonePair", "lp", "lumo", "macro", "manifest", "mapProperty", "map", "maxSet", "menu", "minSet", "modelBased", "molecular", "mrc", "msms", "name", "nmr", "noCross", "noDebug", "noEdges", "noHead", "noLoad", "noPlane", "object", "obj", "offset", "offsetSide", "once", "orbital", "atomicOrbital", "packed", "palindrome", "parameters", "path", "pdb", "period", "periodic", "perpendicular", "perp", "phase", "planarParam", "pocket", "pointsPerAngstrom", "radical", "rad", "reference", "remove", "resolution", "reverseColor", "rotate45", "selection", "sigma", "sign", "silent", "sphere", "squared", "stdInChI", "stdInChIKey", "stop", "title", "titleFormat", "to", "validation", "value", "variable", "variables", "vertices", "width", "wigner", "backgroundModel", "celShading", "celShadingPower", "debug", "debugHigh", "defaultLattice", "measurements", "measurement", "scale3D", "toggleLabel", "userColorScheme", "throw", "timeout", "timeouts", "window", "animationMode", "appletProxy", "atomTypes", "axesColor", "axis1Color", "axis2Color", "axis3Color", "backgroundColor", "bondmode", "boundBoxColor", "boundingBoxColor", "chirality", "cipRule", "currentLocalPath", "dataSeparator", "defaultAngleLabel", "defaultColorScheme", "defaultColors", "defaultDirectory", "defaultDistanceLabel", "defaultDropScript", "defaultLabelPDB", "defaultLabelXYZ", "defaultLoadFilter", "defaultLoadScript", "defaults", "defaultTorsionLabel", "defaultVDW", "drawFontSize", "eds", "edsDiff", "energyUnits", "fileCacheDirectory", "fontsize", "helpPath", "hoverLabel", "language", "loadFormat", "loadLigandFormat", "logFile", "measurementUnits", "nihResolverFormat", "nmrPredictFormat", "nmrUrlFormat", "pathForAllFiles", "picking", "pickingStyle", "pickLabel", "platformSpeed", "propertyColorScheme", "quaternionFrame", "smilesUrlFormat", "smiles2dImageFormat", "unitCellColor", "axesOffset", "axisOffset", "axesScale", "axisScale", "bondTolerance", "cameraDepth", "defaultDrawArrowScale", "defaultTranslucent", "dipoleScale", "ellipsoidAxisDiameter", "gestureSwipeFactor", "hbondsAngleMinimum", "hbondsDistanceMaximum", "hoverDelay", "loadAtomDataTolerance", "minBondDistance", "minimizationCriterion", "minimizationMaxAtoms", "modulationScale", "mouseDragFactor", "mouseWheelFactor", "navFPS", "navigationDepth", "navigationSlab", "navigationSpeed", "navX", "navY", "navZ", "particleRadius", "pointGroupDistanceTolerance", "pointGroupLinearTolerance", "radius", "rotationRadius", "scaleAngstromsPerInch", "sheetSmoothing", "slabRange", "solventProbeRadius", "spinFPS", "spinX", "spinY", "spinZ", "stereoDegrees", "strutDefaultRadius", "strutLengthMaximum", "vectorScale", "vectorsCentered", "vectorSymmetry", "vectorTrail", "vibrationPeriod", "vibrationScale", "visualRange", "ambientPercent", "ambient", "animationFps", "axesMode", "bondRadiusMilliAngstroms", "bondingVersion", "delayMaximumMs", "diffusePercent", "diffuse", "dotDensity", "dotScale", "ellipsoidDotCount", "helixStep", "hermiteLevel", "historyLevel", "lighting", "logLevel", "meshScale", "minimizationSteps", "minPixelSelRadius", "percentVdwAtom", "perspectiveModel", "phongExponent", "pickingSpinRate", "propertyAtomNumberField", "propertyAtomNumberColumnCount", "propertyDataColumnCount", "propertyDataField", "repaintWaitMs", "ribbonAspectRatio", "contextDepthMax", "scriptReportingLevel", "showScript", "smallMoleculeMaxAtoms", "specular", "specularExponent", "specularPercent", "specPercent", "specularPower", "specpower", "strandCount", "strandCountForMeshRibbon", "strandCountForStrands", "strutSpacing", "zDepth", "zSlab", "zshadePower", "allowEmbeddedScripts", "allowGestures", "allowKeyStrokes", "allowModelKit", "allowMoveAtoms", "allowMultiTouch", "allowRotateSelected", "antialiasDisplay", "antialiasImages", "antialiasTranslucent", "appendNew", "applySymmetryToBonds", "atomPicking", "allowAudio", "autobond", "autoFPS", "autoplayMovie", "axesMolecular", "axesOrientationRasmol", "axesUnitCell", "axesWindow", "bondModeOr", "bondPicking", "bonds", "bond", "cartoonBaseEdges", "cartoonBlocks", "cartoonBlockHeight", "cartoonsFancy", "cartoonFancy", "cartoonLadders", "cartoonRibose", "cartoonRockets", "cartoonSteps", "chainCaseSensitive", "cipRule6Full", "colorRasmol", "debugScript", "defaultStructureDssp", "disablePopupMenu", "displayCellParameters", "showUnitcellInfo", "dotsSelectedOnly", "dotSurface", "dragSelected", "drawHover", "drawPicking", "dsspCalculateHydrogenAlways", "ellipsoidArcs", "ellipsoidArrows", "ellipsoidAxes", "ellipsoidBall", "ellipsoidDots", "ellipsoidFill", "fileCaching", "fontCaching", "fontScaling", "forceAutoBond", "fractionalRelative", "greyscaleRendering", "hbondsBackbone", "hbondsRasmol", "hbondsSolid", "hetero", "hideNameInPopup", "hideNavigationPoint", "hideNotSelected", "highResolution", "hydrogen", "hydrogens", "imageState", "isKiosk", "isosurfaceKey", "isosurfacePropertySmoothing", "isosurfacePropertySmoothingPower", "jmolInJSpecView", "justifyMeasurements", "languageTranslation", "leadAtom", "leadAtoms", "legacyAutoBonding", "legacyHAddition", "legacyJavaFloat", "logCommands", "logGestures", "macroDirectory", "measureAllModels", "measurementLabels", "measurementNumbers", "messageStyleChime", "minimizationRefresh", "minimizationSilent", "modelkitMode", "modelkit", "modulateOccupancy", "monitorEnergy", "multiplebondbananas", "multipleBondRadiusFactor", "multipleBondSpacing", "multiProcessor", "navigateSurface", "navigationMode", "navigationPeriodic", "partialDots", "pdbAddHydrogens", "pdbGetHeader", "pdbSequential", "perspectiveDepth", "preserveState", "rangeSelected", "redoMove", "refreshing", "ribbonBorder", "rocketBarrels", "saveProteinStructureState", "scriptQueue", "selectAllModels", "selectHetero", "selectHydrogen", "showAxes", "showBoundBox", "showBoundingBox", "showFrank", "showHiddenSelectionHalos", "showHydrogens", "showKeyStrokes", "showMeasurements", "showModulationVectors", "showMultipleBonds", "showNavigationPointAlways", "showTiming", "showUnitcell", "showUnitcellDetails", "slabByAtom", "slabByMolecule", "slabEnabled", "smartAromatic", "solvent", "solventProbe", "ssBondsBackbone", "statusReporting", "strutsMultiple", "syncMouse", "syncScript", "testFlag1", "testFlag2", "testFlag3", "testFlag4", "traceAlpha", "twistedSheets", "undo", "undoMove", "useMinimizationThread", "useNumberLocalization", "waitForMoveTo", "windowCentered", "wireframeRotation", "zeroBasedXyzRasmol", "zoomEnabled", "zoomHeight", "zoomLarge", "zShade"]); -var iTokens = Clazz_newIntArray (-1, [268435666, -1, -1, -1, -1, -1, -1, 268435568, -1, 268435537, 268435538, 268435859, 268435858, 268435857, 268435856, 268435861, -1, 268435862, 134217759, 1073742336, 1073742337, 268435520, 268435521, 1073742332, 1073742338, 1073742330, 268435634, 1073742339, 268435650, 268435649, 268435651, 268435635, 4097, -1, 4098, 1611272194, 1114249217, 1610616835, 4100, 4101, 1678381065, -1, 102407, 4102, 4103, 1112152066, -1, 102411, 102412, 20488, 12289, -1, 4105, 135174, 1765808134, -1, 134221831, 1094717448, -1, -1, 4106, 528395, 134353926, -1, 102408, 134221834, 102413, 12290, -1, 528397, 12291, 1073741914, 554176526, 135175, -1, 1610625028, 1275069444, 1112150019, 135176, 537022465, 1112150020, -1, 364547, 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"saveProteinStructureState", "scriptQueue", "selectAllModels", "selectHetero", "selectHydrogen", "showAxes", "showBoundBox", "showBoundingBox", "showFrank", "showHiddenSelectionHalos", "showHydrogens", "showKeyStrokes", "showMeasurements", "showModulationVectors", "showMultipleBonds", "showNavigationPointAlways", "showTiming", "showUnitcell", "showUnitcellDetails", "slabByAtom", "slabByMolecule", "slabEnabled", "smartAromatic", "solvent", "solventProbe", "ssBondsBackbone", "statusReporting", "strutsMultiple", "syncMouse", "syncScript", "testFlag1", "testFlag2", "testFlag3", "testFlag4", "traceAlpha", "twistedSheets", "undo", "undoMove", "useMinimizationThread", "useNumberLocalization", "waitForMoveTo", "windowCentered", "wireframeRotation", "zeroBasedXyzRasmol", "zoomEnabled", "zoomHeight", "zoomLarge", "zShade"]); +var iTokens = Clazz_newIntArray (-1, [268435666, -1, -1, -1, -1, -1, -1, 268435568, -1, 268435537, 268435538, 268435859, 268435858, 268435857, 268435856, 268435861, -1, 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603979934, 603979936, 603979937, 603979939, 603979940, 603979942, 603979944, 1612709912, 603979948, 603979952, 603979954, 603979955, 603979956, 603979958, 603979960, 603979962, 603979964, 603979965, 603979966, 603979968, 536870928, 4165, 603979970, 603979971, 603979975, 603979976, 603979977, 603979978, 603979980, 603979982, 603979983, 603979984]); if (sTokens.length != iTokens.length) { JU.Logger.error ("sTokens.length (" + sTokens.length + ") != iTokens.length! (" + iTokens.length + ")"); System.exit (1); @@ -29034,8 +29160,9 @@ return n; }, "~N,~N"); Clazz_defineMethod (c$, "setColixAndPalette", function (colix, paletteID, atomIndex) { -if (this.colixes == null) System.out.println ("ATOMSHAPE ERROR"); -this.colixes[atomIndex] = colix = this.getColixI (colix, paletteID, atomIndex); +if (this.colixes == null) { +this.checkColixLength (-1, this.ac); +}this.colixes[atomIndex] = colix = this.getColixI (colix, paletteID, atomIndex); this.bsColixSet.setBitTo (atomIndex, colix != 0 || this.shapeID == 0); this.paletteIDs[atomIndex] = paletteID; }, "~N,~N,~N"); @@ -29044,7 +29171,7 @@ function () { if (!this.isActive) return; for (var i = this.ac; --i >= 0; ) { var atom = this.atoms[i]; -if ((atom.shapeVisibilityFlags & this.vf) == 0 || this.ms.isAtomHidden (i)) continue; +if (atom == null || (atom.shapeVisibilityFlags & this.vf) == 0 || this.ms.isAtomHidden (i)) continue; atom.setClickable (this.vf); } }); @@ -29141,6 +29268,7 @@ function () { var bsDeleted = this.vwr.slm.bsDeleted; for (var i = this.ac; --i >= 0; ) { var atom = this.atoms[i]; +if (atom == null) continue; atom.setClickable (0); if (bsDeleted != null && bsDeleted.get (i) || (atom.shapeVisibilityFlags & this.vf) == 0 || this.ms.isAtomHidden (i)) continue; atom.setClickable (this.vf); @@ -30206,7 +30334,7 @@ return type; Clazz_defineMethod (c$, "getBondingRadius", function () { var rr = this.group.chain.model.ms.bondingRadii; -var r = (rr == null ? 0 : rr[this.i]); +var r = (rr == null || this.i >= rr.length ? 0 : rr[this.i]); return (r == 0 ? JU.Elements.getBondingRadius (this.atomicAndIsotopeNumber, this.getFormalCharge ()) : r); }); Clazz_defineMethod (c$, "getVolume", @@ -30249,7 +30377,7 @@ this.group.setAtomBits (bs); }, "JU.BS"); Clazz_overrideMethod (c$, "getAtomName", function () { -return (this.atomID > 0 ? JM.Group.specialAtomNames[this.atomID] : this.group.chain.model.ms.atomNames[this.i]); +return (this.atomID > 0 ? JM.Group.specialAtomNames[this.atomID] : this.group.chain.model.ms.atomNames == null ? "" : this.group.chain.model.ms.atomNames[this.i]); }); Clazz_overrideMethod (c$, "getAtomType", function () { @@ -30972,7 +31100,7 @@ Clazz_defineStatics (c$, "CIP_MASK", 4080); }); Clazz_declarePackage ("JM"); -Clazz_load (["JU.V3"], "JM.AtomCollection", ["java.lang.Float", "java.util.Arrays", "$.Hashtable", "JU.A4", "$.AU", "$.BS", "$.Lst", "$.M3", "$.Measure", "$.P3", "$.PT", "J.api.Interface", "$.JmolModulationSet", "J.atomdata.RadiusData", "J.c.PAL", "$.VDW", "JM.Group", "JS.T", "JU.BSUtil", "$.Elements", "$.Escape", "$.Logger", "$.Parser", "$.Vibration"], function () { +Clazz_load (["JU.V3"], "JM.AtomCollection", ["java.lang.Float", "java.util.Arrays", "$.Hashtable", "JU.A4", "$.AU", "$.BS", "$.Lst", "$.M3", "$.Measure", "$.P3", "$.PT", "J.api.Interface", "$.JmolModulationSet", "J.atomdata.RadiusData", "J.c.PAL", "$.VDW", "JM.Group", "JS.T", "JU.BSUtil", "$.Elements", "$.Logger", "$.Parser", "$.Vibration"], function () { c$ = Clazz_decorateAsClass (function () { this.vwr = null; this.g3d = null; @@ -31141,7 +31269,7 @@ Clazz_defineMethod (c$, "getFirstAtomIndexFromAtomNumber", function (atomNumber, bsVisibleFrames) { for (var i = 0; i < this.ac; i++) { var atom = this.at[i]; -if (atom.getAtomNumber () == atomNumber && bsVisibleFrames.get (atom.mi)) return i; +if (atom != null && atom.getAtomNumber () == atomNumber && bsVisibleFrames.get (atom.mi)) return i; } return -1; }, "~N,JU.BS"); @@ -31157,7 +31285,7 @@ this.taintAtom (i, 4); Clazz_defineMethod (c$, "getAtomicCharges", function () { var charges = Clazz_newFloatArray (this.ac, 0); -for (var i = this.ac; --i >= 0; ) charges[i] = this.at[i].getElementNumber (); +for (var i = this.ac; --i >= 0; ) charges[i] = (this.at[i] == null ? 0 : this.at[i].getElementNumber ()); return charges; }); @@ -31175,6 +31303,7 @@ function () { var r; for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; if ((r = atom.getBondingRadius ()) > this.maxBondingRadius) this.maxBondingRadius = r; if ((r = atom.getVanderwaalsRadiusFloat (this.vwr, J.c.VDW.AUTO)) > this.maxVanderwaalsRadius) this.maxVanderwaalsRadius = r; } @@ -31198,6 +31327,7 @@ for (var i = bs.nextSetBit (0); i >= 0; i = bs.nextSetBit (i + 1)) this.setBf (i }, "JU.BS"); Clazz_defineMethod (c$, "setBf", function (i) { +if (this.at[i] == null) return; var bf = this.at[i].getBfactor100 (); if (bf < this.bfactor100Lo) this.bfactor100Lo = bf; else if (bf > this.bfactor100Hi) this.bfactor100Hi = bf; @@ -31251,15 +31381,13 @@ this.nSurfaceAtoms = JU.BSUtil.cardinalityOf (this.bsSurface); if (this.nSurfaceAtoms == 0 || points == null || points.length == 0) return points; var radiusAdjust = (envelopeRadius == 3.4028235E38 ? 0 : envelopeRadius); for (var i = 0; i < this.ac; i++) { -if (this.bsSurface.get (i)) { +if (this.bsSurface.get (i) || this.at[i] == null) { this.surfaceDistance100s[i] = 0; } else { var dMin = 3.4028235E38; var atom = this.at[i]; for (var j = points.length; --j >= 0; ) { -var d = Math.abs (points[j].distance (atom) - radiusAdjust); -if (d < 0 && JU.Logger.debugging) JU.Logger.debug ("draw d" + j + " " + JU.Escape.eP (points[j]) + " \"" + d + " ? " + atom.getInfo () + "\""); -dMin = Math.min (d, dMin); +dMin = Math.min (Math.abs (points[j].distance (atom) - radiusAdjust), dMin); } var d = this.surfaceDistance100s[i] = Clazz_doubleToInt (Math.floor (dMin * 100)); this.surfaceDistanceMax = Math.max (this.surfaceDistanceMax, d); @@ -31361,6 +31489,7 @@ iValue = Clazz_floatToInt (fValue); if (n >= list.length) return; sValue = list[n++]; }var atom = this.at[i]; +var f; switch (tok) { case 1086326786: this.setAtomName (i, sValue, true); @@ -31419,8 +31548,8 @@ case 1113589786: this.setHydrophobicity (i, fValue); break; case 1128269825: -if (fValue < 2 && fValue > 0.01) fValue = 100 * fValue; -this.setOccupancy (i, fValue, true); +f = (fValue < 2 && fValue >= 0.01 ? 100 * fValue : fValue); +this.setOccupancy (i, f, true); break; case 1111492619: this.setPartialCharge (i, fValue, true); @@ -31440,9 +31569,10 @@ this.vwr.shm.setAtomLabel (sValue, i); break; case 1665140738: case 1112152075: -if (fValue < 0) fValue = 0; - else if (fValue > 16) fValue = 16.1; -atom.madAtom = (Clazz_floatToShort (fValue * 2000)); +f = fValue; +if (f < 0) f = 0; + else if (f > 16) f = 16.1; +atom.madAtom = (Clazz_floatToShort (f * 2000)); break; case 1113589787: this.vwr.slm.setSelectedAtom (atom.i, (fValue != 0)); @@ -31632,10 +31762,13 @@ this.partialCharges[atomIndex] = partialCharge; if (doTaint) this.taintAtom (atomIndex, 8); }, "~N,~N,~B"); Clazz_defineMethod (c$, "setBondingRadius", - function (atomIndex, radius) { +function (atomIndex, radius) { if (Float.isNaN (radius) || radius == this.at[atomIndex].getBondingRadius ()) return; -if (this.bondingRadii == null) this.bondingRadii = Clazz_newFloatArray (this.at.length, 0); -this.bondingRadii[atomIndex] = radius; +if (this.bondingRadii == null) { +this.bondingRadii = Clazz_newFloatArray (this.at.length, 0); +} else if (this.bondingRadii.length < this.at.length) { +this.bondingRadii = JU.AU.ensureLength (this.bondingRadii, this.at.length); +}this.bondingRadii[atomIndex] = radius; this.taintAtom (atomIndex, 6); }, "~N,~N"); Clazz_defineMethod (c$, "setBFactor", @@ -31849,9 +31982,9 @@ if (this.tainted[type].nextSetBit (0) < 0) this.tainted[type] = null; Clazz_defineMethod (c$, "findNearest2", function (x, y, closest, bsNot, min) { var champion = null; +var contender; for (var i = this.ac; --i >= 0; ) { -if (bsNot != null && bsNot.get (i)) continue; -var contender = this.at[i]; +if (bsNot != null && bsNot.get (i) || (contender = this.at[i]) == null) continue; if (contender.isClickable () && this.isCursorOnTopOf (contender, x, y, min, champion)) champion = contender; } closest[0] = champion; @@ -31870,7 +32003,7 @@ if (includeRadii) atomData.atomRadius = Clazz_newFloatArray (this.ac, 0); var isMultiModel = ((mode & 16) != 0); for (var i = 0; i < this.ac; i++) { var atom = this.at[i]; -if (atom.isDeleted () || !isMultiModel && atomData.modelIndex >= 0 && atom.mi != atomData.firstModelIndex) { +if (atom == null || atom.isDeleted () || !isMultiModel && atomData.modelIndex >= 0 && atom.mi != atomData.firstModelIndex) { if (atomData.bsIgnored == null) atomData.bsIgnored = new JU.BS (); atomData.bsIgnored.set (i); continue; @@ -31908,7 +32041,11 @@ if (rd.factorType === J.atomdata.RadiusData.EnumType.FACTOR) r *= rd.value; return r + rd.valueExtended; }, "JM.Atom,J.atomdata.AtomData"); Clazz_defineMethod (c$, "calculateHydrogens", -function (bs, nTotal, doAll, justCarbon, vConnect) { +function (bs, nTotal, vConnect, flags) { +var doAll = ((flags & 256) == 256); +var justCarbon = ((flags & 512) == 512); +var isQuick = ((flags & 4) == 4); +var ignoreH = ((flags & 2048) == 2048); var z = new JU.V3 (); var x = new JU.V3 (); var hAtoms = new Array (this.ac); @@ -31928,12 +32065,14 @@ dHX = 1.0; break; case 6: } -if (doAll && atom.getCovalentHydrogenCount () > 0) continue; -var n = this.getMissingHydrogenCount (atom, false); -if (n == 0) continue; +var n = (doAll || ignoreH ? atom.getCovalentHydrogenCount () : 0); +if (doAll && n > 0 || ignoreH && n == 0) continue; +var nMissing = this.getMissingHydrogenCount (atom, false); +if (doAll && nMissing == 0) continue; +if (!ignoreH) n = nMissing; var targetValence = this.aaRet[0]; var hybridization = this.aaRet[2]; -var nBonds = this.aaRet[3]; +var nBonds = this.aaRet[3] - (ignoreH ? n : 0); if (nBonds == 0 && atom.isHetero ()) continue; hAtoms[i] = new Array (n); var hPt = 0; @@ -31969,17 +32108,17 @@ switch (n) { default: break; case 3: -this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3b", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3b", false, true, isQuick); pt = new JU.P3 (); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); -this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3c", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3c", false, true, isQuick); pt = new JU.P3 (); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); -this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3d", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3d", false, true, isQuick); pt = new JU.P3 (); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -31987,12 +32126,12 @@ if (vConnect != null) vConnect.addLast (atom); break; case 2: var isEne = (hybridization == 2 || atomicNumber == 5 || nBonds == 1 && targetValence == 4 || atomicNumber == 7 && this.isAdjacentSp2 (atom)); -this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2b" : targetValence == 3 ? "sp3c" : "lpa"), false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2b" : targetValence == 3 ? "sp3c" : "lpa"), false, true, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); -this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2c" : targetValence == 3 ? "sp3d" : "lpb"), false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2c" : targetValence == 3 ? "sp3d" : "lpb"), false, true, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -32004,7 +32143,7 @@ case 1: if (atomicNumber == 8 && atom === atom.group.getCarbonylOxygenAtom ()) { hAtoms[i] = null; continue; -}if (this.getHybridizationAndAxes (i, atomicNumber, z, x, (hybridization == 2 || atomicNumber == 5 || atomicNumber == 7 && (atom.group.getNitrogenAtom () === atom || this.isAdjacentSp2 (atom)) ? "sp2c" : "sp3d"), true, false) != null) { +}if (this.getHybridizationAndAxes (i, atomicNumber, z, x, (hybridization == 2 || atomicNumber == 5 || atomicNumber == 6 && this.aaRet[1] == 1 || atomicNumber == 7 && (atom.group.getNitrogenAtom () === atom || this.isAdjacentSp2 (atom)) ? "sp2c" : "sp3d"), true, false, isQuick) != null) { pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -32013,14 +32152,14 @@ if (vConnect != null) vConnect.addLast (atom); hAtoms[i] = new Array (0); }break; case 2: -this.getHybridizationAndAxes (i, atomicNumber, z, x, (targetValence == 4 ? "sp2c" : "sp2b"), false, false); +this.getHybridizationAndAxes (i, atomicNumber, z, x, (targetValence == 4 ? "sp2c" : "sp2b"), false, false, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); break; case 3: -this.getHybridizationAndAxes (i, atomicNumber, z, x, "spb", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "spb", false, true, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -32032,7 +32171,7 @@ break; } nTotal[0] = nH; return hAtoms; -}, "JU.BS,~A,~B,~B,JU.Lst"); +}, "JU.BS,~A,JU.Lst,~N"); Clazz_defineMethod (c$, "isAdjacentSp2", function (atom) { var bonds = atom.bonds; @@ -32090,12 +32229,12 @@ n++; return n; }, "JU.BS"); Clazz_defineMethod (c$, "getHybridizationAndAxes", -function (atomIndex, atomicNumber, z, x, lcaoTypeRaw, hybridizationCompatible, doAlignZ) { +function (atomIndex, atomicNumber, z, x, lcaoTypeRaw, hybridizationCompatible, doAlignZ, isQuick) { var lcaoType = (lcaoTypeRaw.length > 0 && lcaoTypeRaw.charAt (0) == '-' ? lcaoTypeRaw.substring (1) : lcaoTypeRaw); if (lcaoTypeRaw.indexOf ("d") >= 0 && !lcaoTypeRaw.endsWith ("sp3d")) return this.getHybridizationAndAxesD (atomIndex, z, x, lcaoType); var atom = this.at[atomIndex]; if (atomicNumber == 0) atomicNumber = atom.getElementNumber (); -var attached = this.getAttached (atom, 4, hybridizationCompatible); +var attached = this.getAttached (atom, 4, hybridizationCompatible, isQuick); var nAttached = attached.length; var pt = lcaoType.charCodeAt (lcaoType.length - 1) - 97; if (pt < 0 || pt > 6) pt = 0; @@ -32103,7 +32242,11 @@ z.set (0, 0, 0); x.set (0, 0, 0); var v = new Array (4); for (var i = 0; i < nAttached; i++) { -v[i] = JU.V3.newVsub (atom, attached[i]); +var a = attached[i]; +if (a == null) { +nAttached = i; +break; +}v[i] = JU.V3.newVsub (atom, a); v[i].normalize (); z.add (v[i]); } @@ -32167,9 +32310,10 @@ break; }hybridization = lcaoType; break; default: -if (isPlanar) { +if (isPlanar && !isQuick) { hybridization = "sp2"; } else { +if (isPlanar) z.setT (vTemp); if (isLp && nAttached == 3) { hybridization = "lp"; break; @@ -32250,7 +32394,8 @@ if (vTemp.length () > 0.1 || a.getCovalentBondCount () != 2) break; atom = a0; a0 = a; } -if (vTemp.length () > 0.1) { +if (isSp) { +} else if (vTemp.length () > 0.1) { z.cross (vTemp, x); z.normalize (); if (pt == 1) z.scale (-1); @@ -32266,13 +32411,14 @@ z.setT (x); x.cross (JM.AtomCollection.vRef, x); }break; case 3: -this.getHybridizationAndAxes (attached[0].i, 0, x, vTemp, "pz", false, doAlignZ); +this.getHybridizationAndAxes (attached[0].i, 0, x, vTemp, "pz", false, doAlignZ, isQuick); vTemp.setT (x); if (isSp2) { x.cross (x, z); if (pt == 1) x.scale (-1); x.scale (JM.AtomCollection.sqrt3_2); z.scaleAdd2 (0.5, z, x); +} else if (isSp) { } else { vTemp.setT (z); z.setT (x); @@ -32287,7 +32433,7 @@ var a = attached[0]; var ok = (a.getCovalentBondCount () == 3); if (!ok) ok = ((a = attached[1]).getCovalentBondCount () == 3); if (ok) { -this.getHybridizationAndAxes (a.i, 0, x, z, "pz", false, doAlignZ); +this.getHybridizationAndAxes (a.i, 0, x, z, "pz", false, doAlignZ, isQuick); if (lcaoType.equals ("px")) x.scale (-1); z.setT (v[0]); break; @@ -32328,7 +32474,7 @@ x.scale (-1); x.normalize (); z.normalize (); return hybridization; -}, "~N,~N,JU.V3,JU.V3,~S,~B,~B"); +}, "~N,~N,JU.V3,JU.V3,~S,~B,~B,~B"); Clazz_defineMethod (c$, "getHybridizationAndAxesD", function (atomIndex, z, x, lcaoType) { if (lcaoType.startsWith ("sp3d2")) lcaoType = "d2sp3" + (lcaoType.length == 5 ? "a" : lcaoType.substring (5)); @@ -32338,7 +32484,7 @@ var isTrigonal = lcaoType.startsWith ("dsp3"); var pt = lcaoType.charCodeAt (lcaoType.length - 1) - 97; if (z != null && (!isTrigonal && (pt > 5 || !lcaoType.startsWith ("d2sp3")) || isTrigonal && pt > 4)) return null; var atom = this.at[atomIndex]; -var attached = this.getAttached (atom, 6, true); +var attached = this.getAttached (atom, 6, true, false); if (attached == null) return (z == null ? null : "?"); var nAttached = attached.length; if (nAttached < 3 && z != null) return null; @@ -32484,18 +32630,20 @@ z.normalize (); return (isTrigonal ? "dsp3" : "d2sp3"); }, "~N,JU.V3,JU.V3,~S"); Clazz_defineMethod (c$, "getAttached", - function (atom, nMax, doSort) { + function (atom, nMax, doSort, isQuick) { var nAttached = atom.getCovalentBondCount (); if (nAttached > nMax) return null; var attached = new Array (nAttached); if (nAttached > 0) { var bonds = atom.bonds; var n = 0; -for (var i = 0; i < bonds.length; i++) if (bonds[i].isCovalent ()) attached[n++] = bonds[i].getOtherAtom (atom); - -if (doSort) java.util.Arrays.sort (attached, Clazz_innerTypeInstance (JM.AtomCollection.AtomSorter, this, null)); +for (var i = 0; i < bonds.length; i++) if (bonds[i].isCovalent ()) { +var a = bonds[i].getOtherAtom (atom); +if (!isQuick || a.getAtomicAndIsotopeNumber () != 1) attached[n++] = a; +} +if (doSort && !isQuick) java.util.Arrays.sort (attached, Clazz_innerTypeInstance (JM.AtomCollection.AtomSorter, this, null)); }return attached; -}, "JM.Atom,~N,~B"); +}, "JM.Atom,~N,~B,~B"); Clazz_defineMethod (c$, "findNotAttached", function (nAttached, angles, ptrs, nPtrs) { var bs = JU.BS.newN (nAttached); @@ -32516,17 +32664,20 @@ case 1086326785: var isType = (tokType == 1086326785); var names = "," + specInfo + ","; for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var s = (isType ? this.at[i].getAtomType () : this.at[i].getAtomName ()); if (names.indexOf ("," + s + ",") >= 0) bs.set (i); } return bs; case 1094715393: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getAtomNumber () == iSpec) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getAtomNumber () == iSpec) bs.set (i); +} return bs; case 2097155: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getCovalentBondCount () > 0) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getCovalentBondCount () > 0) bs.set (i); +} return bs; case 2097188: case 2097156: @@ -32541,30 +32692,35 @@ return ((this).haveBioModels ? (this).bioModelset.getAtomBitsBS (tokType, null, case 1612709900: iSpec = 1; case 1094715402: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getElementNumber () == iSpec) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getElementNumber () == iSpec) bs.set (i); +} return bs; case 1612709894: -for (var i = this.ac; --i >= 0; ) if (this.at[i].isHetero ()) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].isHetero ()) bs.set (i); +} return bs; case 1073741824: return this.getIdentifierOrNull (specInfo); case 2097165: -for (var i = this.ac; --i >= 0; ) if (this.at[i].isLeadAtom ()) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].isLeadAtom ()) bs.set (i); +} return bs; case 1094713362: case 1639976963: return ((this).haveBioModels ? (this).bioModelset.getAtomBitsBS (tokType, specInfo, bs) : bs); case 1094715412: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getResno () == iSpec) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getResno () == iSpec) bs.set (i); +} return bs; case 1612709912: var hs = Clazz_newIntArray (2, 0); var a; for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var g = this.at[i].group.groupID; if (g >= 42 && g < 45) { bs.set (i); @@ -32582,7 +32738,7 @@ bs.set (i); return bs; case 1073742355: var spec = specInfo; -for (var i = this.ac; --i >= 0; ) if (this.isAltLoc (this.at[i].altloc, spec)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isAltLoc (this.at[i].altloc, spec)) bs.set (i); return bs; case 1073742356: @@ -32590,7 +32746,7 @@ var atomSpec = (specInfo).toUpperCase (); if (atomSpec.indexOf ("\\?") >= 0) atomSpec = JU.PT.rep (atomSpec, "\\?", "\1"); var allowStar = atomSpec.startsWith ("?*"); if (allowStar) atomSpec = atomSpec.substring (1); -for (var i = this.ac; --i >= 0; ) if (this.isAtomNameMatch (this.at[i], atomSpec, allowStar, allowStar)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isAtomNameMatch (this.at[i], atomSpec, allowStar, allowStar)) bs.set (i); return bs; case 1073742357: @@ -32598,17 +32754,17 @@ return JU.BSUtil.copy (this.getChainBits (iSpec)); case 1073742360: return this.getSpecName (specInfo); case 1073742361: -for (var i = this.ac; --i >= 0; ) if (this.at[i].group.groupID == iSpec) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].group.groupID == iSpec) bs.set (i); return bs; case 1073742362: return JU.BSUtil.copy (this.getSeqcodeBits (iSpec, true)); case 5: -for (var i = this.ac; --i >= 0; ) if (this.at[i].group.getInsCode () == iSpec) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].group.getInsCode () == iSpec) bs.set (i); return bs; case 1296041986: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getSymOp () == iSpec) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].getSymOp () == iSpec) bs.set (i); return bs; } @@ -32635,7 +32791,7 @@ case 1086326789: bsTemp = new JU.BS (); for (var i = i0; i >= 0; i = bsInfo.nextSetBit (i + 1)) bsTemp.set (this.at[i].getElementNumber ()); -for (var i = this.ac; --i >= 0; ) if (bsTemp.get (this.at[i].getElementNumber ())) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && bsTemp.get (this.at[i].getElementNumber ())) bs.set (i); return bs; case 1086324742: @@ -32649,7 +32805,7 @@ case 1094713366: bsTemp = new JU.BS (); for (var i = i0; i >= 0; i = bsInfo.nextSetBit (i + 1)) bsTemp.set (this.at[i].atomSite); -for (var i = this.ac; --i >= 0; ) if (bsTemp.get (this.at[i].atomSite)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && bsTemp.get (this.at[i].atomSite)) bs.set (i); return bs; } @@ -32659,11 +32815,15 @@ return bs; Clazz_defineMethod (c$, "getChainBits", function (chainID) { var caseSensitive = this.vwr.getBoolean (603979822); -if (chainID >= 0 && chainID < 300 && !caseSensitive) chainID = this.chainToUpper (chainID); -var bs = new JU.BS (); +if (caseSensitive) { +if (chainID >= 97 && chainID <= 122) chainID += 159; +} else { +if (chainID >= 0 && chainID < 300) chainID = this.chainToUpper (chainID); +}var bs = new JU.BS (); var bsDone = JU.BS.newN (this.ac); var id; for (var i = bsDone.nextClearBit (0); i < this.ac; i = bsDone.nextClearBit (i + 1)) { +if (this.at[i] == null) continue; var chain = this.at[i].group.chain; if (chainID == (id = chain.chainID) || !caseSensitive && id >= 0 && id < 300 && chainID == this.chainToUpper (id)) { chain.setAtomBits (bs); @@ -32694,6 +32854,7 @@ var insCode = JM.Group.getInsertionCodeChar (seqcode); switch (insCode) { case '?': for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var atomSeqcode = this.at[i].group.seqcode; if ((!haveSeqNumber || seqNum == JM.Group.getSeqNumberFor (atomSeqcode)) && JM.Group.getInsertionCodeFor (atomSeqcode) != 0) { bs.set (i); @@ -32702,6 +32863,7 @@ isEmpty = false; break; default: for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var atomSeqcode = this.at[i].group.seqcode; if (seqcode == atomSeqcode || !haveSeqNumber && seqcode == JM.Group.getInsertionCodeFor (atomSeqcode) || insCode == '*' && seqNum == JM.Group.getSeqNumberFor (atomSeqcode)) { bs.set (i); @@ -32731,6 +32893,7 @@ if (name.indexOf ("\\?") >= 0) name = JU.PT.rep (name, "\\?", "\1"); var allowInitialStar = name.startsWith ("?*"); if (allowInitialStar) name = name.substring (1); for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var g3 = this.at[i].getGroup3 (true); if (g3 != null && g3.length > 0) { if (JU.PT.isMatch (g3, name, checkStar, true)) { @@ -32762,6 +32925,7 @@ function (distance, plane) { var bsResult = new JU.BS (); for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; var d = JU.Measure.distanceToPlane (plane, atom); if (distance > 0 && d >= -0.1 && d <= distance || distance < 0 && d <= 0.1 && d >= distance || distance == 0 && Math.abs (d) < 0.01) bsResult.set (atom.i); } @@ -32776,7 +32940,7 @@ Clazz_defineMethod (c$, "getAtomsInFrame", function (bsAtoms) { this.clearVisibleSets (); bsAtoms.clearAll (); -for (var i = this.ac; --i >= 0; ) if (this.at[i].isVisible (1)) bsAtoms.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].isVisible (1)) bsAtoms.set (i); }, "JU.BS"); Clazz_defineMethod (c$, "getVisibleSet", @@ -32787,7 +32951,7 @@ this.vwr.shm.finalizeAtoms (null, true); } else if (this.haveBSVisible) { return this.bsVisible; }this.bsVisible.clearAll (); -for (var i = this.ac; --i >= 0; ) if (this.at[i].checkVisible ()) this.bsVisible.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].checkVisible ()) this.bsVisible.set (i); if (this.vwr.shm.bsSlabbedInternal != null) this.bsVisible.andNot (this.vwr.shm.bsSlabbedInternal); this.haveBSVisible = true; @@ -32798,7 +32962,7 @@ function (forceNew) { if (forceNew) this.vwr.setModelVisibility (); else if (this.haveBSClickable) return this.bsClickable; this.bsClickable.clearAll (); -for (var i = this.ac; --i >= 0; ) if (this.at[i].isClickable ()) this.bsClickable.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].isClickable ()) this.bsClickable.set (i); this.haveBSClickable = true; return this.bsClickable; @@ -33013,7 +33177,12 @@ Clazz_defineStatics (c$, "TAINT_SEQID", 14, "TAINT_RESNO", 15, "TAINT_CHAIN", 16, -"TAINT_MAX", 17); +"TAINT_MAX", 17, +"CALC_H_DOALL", 0x100, +"CALC_H_JUSTC", 0x200, +"CALC_H_HAVEH", 0x400, +"CALC_H_QUICK", 4, +"CALC_H_IGNORE_H", 0x800); }); Clazz_declarePackage ("JM"); Clazz_load (["J.api.AtomIndexIterator"], "JM.AtomIteratorWithinModel", ["J.atomdata.RadiusData"], function () { @@ -33182,6 +33351,7 @@ Clazz_instantialize (this, arguments); }, JM, "Bond", JU.Edge); Clazz_makeConstructor (c$, function (atom1, atom2, order, mad, colix) { +Clazz_superConstructor (this, JM.Bond, []); this.atom1 = atom1; this.atom2 = atom2; this.colix = colix; @@ -33284,13 +33454,13 @@ var i2 = 2147483647; var bonds = this.atom1.bonds; for (i1 = 0; i1 < bonds.length; i1++) { var a = bonds[i1].getOtherAtom (this.atom1); -if (bs1.get (a.i) && a !== this.atom2) break; +if (a !== this.atom2) break; } if (i1 < bonds.length) { bonds = this.atom2.bonds; for (i2 = 0; i2 < bonds.length; i2++) { var a = bonds[i2].getOtherAtom (this.atom2); -if (bs2.get (a.i) && a !== this.atom1) break; +if (a !== this.atom1) break; } }this.order = (i1 > 2 || i2 >= bonds.length || i2 > 2 ? 1 : JU.Edge.getAtropismOrder (i1 + 1, i2 + 1)); }, "JU.BS,JU.BS"); @@ -33305,10 +33475,14 @@ Clazz_overrideMethod (c$, "toString", function () { return this.atom1 + " - " + this.atom2; }); +Clazz_overrideMethod (c$, "getAtom", +function (i) { +return (i == 1 ? this.atom2 : this.atom1); +}, "~N"); c$.myVisibilityFlag = c$.prototype.myVisibilityFlag = JV.JC.getShapeVisibilityFlag (1); }); Clazz_declarePackage ("JM"); -Clazz_load (["JM.AtomCollection"], "JM.BondCollection", ["JU.AU", "$.BS", "JM.Bond", "$.BondIteratorSelected", "$.BondSet", "$.HBond", "JU.BSUtil", "$.C", "$.Edge", "$.Logger"], function () { +Clazz_load (["JM.AtomCollection"], "JM.BondCollection", ["JU.AU", "$.BS", "JM.Bond", "$.BondIteratorSelected", "$.BondSet", "$.HBond", "JU.BSUtil", "$.C", "$.Edge"], function () { c$ = Clazz_decorateAsClass (function () { this.bo = null; this.bondCount = 0; @@ -33321,6 +33495,7 @@ this.bsAromaticSingle = null; this.bsAromaticDouble = null; this.bsAromatic = null; this.haveHiddenBonds = false; +this.haveAtropicBonds = false; Clazz_instantialize (this, arguments); }, JM, "BondCollection", JM.AtomCollection); Clazz_defineMethod (c$, "setupBC", @@ -33485,7 +33660,7 @@ if (matchNull || newOrder == (bond.order & -257 | 131072) || (order & bond.order bsDelete.set (i); nDeleted++; }} -if (nDeleted > 0) this.dBm (bsDelete, false); +if (nDeleted > 0) (this).deleteBonds (bsDelete, false); return Clazz_newIntArray (-1, [0, nDeleted]); }, "~N,~N,~N,JU.BS,JU.BS,~B,~B"); Clazz_defineMethod (c$, "fixD", @@ -33501,10 +33676,6 @@ var dABcalc = atom1.getBondingRadius () + atom2.getBondingRadius (); return ((minFrac ? dAB >= dABcalc * minD : d2 >= minD) && (maxfrac ? dAB <= dABcalc * maxD : d2 <= maxD)); }return (d2 >= minD && d2 <= maxD); }, "JM.Atom,JM.Atom,~N,~N,~B,~B,~B"); -Clazz_defineMethod (c$, "dBm", -function (bsBonds, isFullModel) { -(this).deleteBonds (bsBonds, isFullModel); -}, "JU.BS,~B"); Clazz_defineMethod (c$, "dBb", function (bsBond, isFullModel) { var iDst = bsBond.nextSetBit (0); @@ -33744,50 +33915,6 @@ bs.set (this.bo[i].atom2.i); return bs; } }, "~N,~O"); -Clazz_defineMethod (c$, "assignBond", -function (bondIndex, type) { -var bondOrder = type.charCodeAt (0) - 48; -var bond = this.bo[bondIndex]; -(this).clearDB (bond.atom1.i); -switch (type) { -case '0': -case '1': -case '2': -case '3': -break; -case 'p': -case 'm': -bondOrder = JU.Edge.getBondOrderNumberFromOrder (bond.getCovalentOrder ()).charCodeAt (0) - 48 + (type == 'p' ? 1 : -1); -if (bondOrder > 3) bondOrder = 1; - else if (bondOrder < 0) bondOrder = 3; -break; -default: -return null; -} -var bsAtoms = new JU.BS (); -try { -if (bondOrder == 0) { -var bs = new JU.BS (); -bs.set (bond.index); -bsAtoms.set (bond.atom1.i); -bsAtoms.set (bond.atom2.i); -this.dBm (bs, false); -return bsAtoms; -}bond.setOrder (bondOrder | 131072); -if (bond.atom1.getElementNumber () != 1 && bond.atom2.getElementNumber () != 1) { -this.removeUnnecessaryBonds (bond.atom1, false); -this.removeUnnecessaryBonds (bond.atom2, false); -}bsAtoms.set (bond.atom1.i); -bsAtoms.set (bond.atom2.i); -} catch (e) { -if (Clazz_exceptionOf (e, Exception)) { -JU.Logger.error ("Exception in seBondOrder: " + e.toString ()); -} else { -throw e; -} -} -return bsAtoms; -}, "~N,~S"); Clazz_defineMethod (c$, "removeUnnecessaryBonds", function (atom, deleteAtom) { var bs = new JU.BS (); @@ -33800,7 +33927,7 @@ if (atom2.getElementNumber () == 1) bs.set (bonds[i].getOtherAtom (atom).i); } else { bsBonds.set (bonds[i].index); } -if (bsBonds.nextSetBit (0) >= 0) this.dBm (bsBonds, false); +if (bsBonds.nextSetBit (0) >= 0) (this).deleteBonds (bsBonds, false); if (deleteAtom) bs.set (atom.i); if (bs.nextSetBit (0) >= 0) this.vwr.deleteAtoms (bs, false); }, "JM.Atom,~B"); @@ -35366,7 +35493,7 @@ return this.count; }, "~N,JU.Point3fi,~B"); }); Clazz_declarePackage ("JM"); -Clazz_load (["JU.BS", "$.SB"], "JM.Model", ["java.util.Hashtable", "JU.AU", "JU.BSUtil"], function () { +Clazz_load (["JU.BS", "$.SB"], "JM.Model", ["java.util.Hashtable", "JU.AU", "JU.BSUtil", "JV.FileManager"], function () { c$ = Clazz_decorateAsClass (function () { this.ms = null; this.mat4 = null; @@ -35413,6 +35540,7 @@ this.jmolFrameType = null; this.pdbID = null; this.bsCheck = null; this.hasChirality = false; +this.isOrderly = true; Clazz_instantialize (this, arguments); }, JM, "Model"); Clazz_prepareFields (c$, function () { @@ -35433,10 +35561,13 @@ this.trajectoryBaseIndex = (this.isTrajectory ? trajectoryBaseIndex : modelIndex if (auxiliaryInfo == null) { auxiliaryInfo = new java.util.Hashtable (); }this.auxiliaryInfo = auxiliaryInfo; -if (auxiliaryInfo.containsKey ("biosymmetryCount")) { -this.biosymmetryCount = (auxiliaryInfo.get ("biosymmetryCount")).intValue (); +var bc = (auxiliaryInfo.get ("biosymmetryCount")); +if (bc != null) { +this.biosymmetryCount = bc.intValue (); this.biosymmetry = auxiliaryInfo.get ("biosymmetry"); -}this.properties = properties; +}var fname = auxiliaryInfo.get ("fileName"); +if (fname != null) auxiliaryInfo.put ("fileName", JV.FileManager.stripTypePrefix (fname)); +this.properties = properties; if (jmolData == null) { this.jmolFrameType = "modelSet"; } else { @@ -35449,15 +35580,16 @@ this.jmolFrameType = (jmolData.indexOf ("ramachandran") >= 0 ? "ramachandran" : }, "JM.ModelSet,~N,~N,~S,java.util.Properties,java.util.Map"); Clazz_defineMethod (c$, "getTrueAtomCount", function () { -return this.bsAtoms.cardinality () - this.bsAtomsDeleted.cardinality (); +return JU.BSUtil.andNot (this.bsAtoms, this.bsAtomsDeleted).cardinality (); }); Clazz_defineMethod (c$, "isContainedIn", function (bs) { if (this.bsCheck == null) this.bsCheck = new JU.BS (); +this.bsCheck.clearAll (); this.bsCheck.or (bs); -this.bsCheck.and (this.bsAtoms); -this.bsCheck.andNot (this.bsAtomsDeleted); -return (this.bsCheck.cardinality () == this.getTrueAtomCount ()); +var bsa = JU.BSUtil.andNot (this.bsAtoms, this.bsAtomsDeleted); +this.bsCheck.and (bsa); +return this.bsCheck.equals (bsa); }, "JU.BS"); Clazz_defineMethod (c$, "resetBoundCount", function () { @@ -35556,6 +35688,7 @@ this.specialAtomIndexes = null; this.someModelsHaveUnitcells = false; this.someModelsAreModulated = false; this.is2D = false; +this.isMOL2D = false; this.isMutate = false; this.isTrajectory = false; this.isPyMOLsession = false; @@ -35590,10 +35723,13 @@ this.adapterTrajectoryCount = 0; this.noAutoBond = false; this.modulationOn = false; this.htGroup1 = null; +this.appendToModelIndex = null; this.$mergeGroups = null; this.iChain = 0; this.vStereo = null; +this.lastModel = -1; this.structuresDefinedInFile = null; +this.stereodir = 1; Clazz_instantialize (this, arguments); }, JM, "ModelLoader"); Clazz_prepareFields (c$, function () { @@ -35697,7 +35833,8 @@ Clazz_defineMethod (c$, "createModelSet", var nAtoms = (adapter == null ? 0 : adapter.getAtomCount (asc)); if (nAtoms > 0) JU.Logger.info ("reading " + nAtoms + " atoms"); this.adapterModelCount = (adapter == null ? 1 : adapter.getAtomSetCount (asc)); -this.appendNew = !this.isMutate && (!this.merging || adapter == null || this.adapterModelCount > 1 || this.isTrajectory || this.vwr.getBoolean (603979792)); +this.appendToModelIndex = (this.ms.msInfo == null ? null : (this.ms.msInfo.get ("appendToModelIndex"))); +this.appendNew = !this.isMutate && (!this.merging || adapter == null || this.adapterModelCount > 1 || this.isTrajectory || this.vwr.getBoolean (603979792) && this.appendToModelIndex == null); this.htAtomMap.clear (); this.chainOf = new Array (32); this.group3Of = new Array (32); @@ -35746,7 +35883,7 @@ var atoms = this.ms.at; for (var i = this.baseAtomIndex; i < ac; i++) atoms[i].setMadAtom (this.vwr, rd); var models = this.ms.am; -for (var i = models[this.baseModelIndex].firstAtomIndex; i < ac; i++) models[atoms[i].mi].bsAtoms.set (i); +for (var i = models[this.baseModelIndex].firstAtomIndex; i < ac; i++) if (atoms[i] != null) models[atoms[i].mi].bsAtoms.set (i); this.freeze (); this.finalizeShapes (); @@ -35829,8 +35966,8 @@ if (this.appendNew) { this.baseModelIndex = this.baseModelCount; this.ms.mc = this.baseModelCount + this.adapterModelCount; } else { -this.baseModelIndex = this.vwr.am.cmi; -if (this.baseModelIndex < 0) this.baseModelIndex = this.baseModelCount - 1; +this.baseModelIndex = (this.appendToModelIndex == null ? this.vwr.am.cmi : this.appendToModelIndex.intValue ()); +if (this.baseModelIndex < 0 || this.baseModelIndex >= this.baseModelCount) this.baseModelIndex = this.baseModelCount - 1; this.ms.mc = this.baseModelCount; }this.ms.ac = this.baseAtomIndex = this.modelSet0.ac; this.ms.bondCount = this.modelSet0.bondCount; @@ -35888,7 +36025,7 @@ this.vwr.setStringProperty ("_fileType", modelAuxiliaryInfo.get ("fileType")); if (modelName == null) modelName = (this.jmolData != null && this.jmolData.indexOf (";") > 2 ? this.jmolData.substring (this.jmolData.indexOf (":") + 2, this.jmolData.indexOf (";")) : this.appendNew ? "" + (modelNumber % 1000000) : ""); this.setModelNameNumberProperties (ipt, iTrajectory, modelName, modelNumber, modelProperties, modelAuxiliaryInfo, this.jmolData); } -var m = this.ms.am[this.baseModelIndex]; +var m = this.ms.am[this.appendToModelIndex == null ? this.baseModelIndex : this.ms.mc - 1]; this.vwr.setSmilesString (this.ms.msInfo.get ("smilesString")); var loadState = this.ms.msInfo.remove ("loadState"); var loadScript = this.ms.msInfo.remove ("loadScript"); @@ -35901,8 +36038,10 @@ if (pt < 0 || pt != m.loadState.lastIndexOf (lines[i])) sb.append (lines[i]).app } m.loadState += m.loadScript.toString () + sb.toString (); m.loadScript = new JU.SB (); -if (loadScript.indexOf ("load append ") >= 0) loadScript.append ("; set appendNew true"); -m.loadScript.append (" ").appendSB (loadScript).append (";\n"); +if (loadScript.indexOf ("load append ") >= 0 || loadScript.indexOf ("data \"append ") >= 0) { +loadScript.insert (0, ";var anew = appendNew;"); +loadScript.append (";set appendNew anew"); +}m.loadScript.append (" ").appendSB (loadScript).append (";\n"); }if (this.isTrajectory) { var n = (this.ms.mc - ipt + 1); JU.Logger.info (n + " trajectory steps read"); @@ -36016,8 +36155,9 @@ this.iModel = modelIndex; this.model = models[modelIndex]; this.currentChainID = 2147483647; this.isNewChain = true; -models[modelIndex].bsAtoms.clearAll (); -isPdbThisModel = models[modelIndex].isBioModel; +this.model.bsAtoms.clearAll (); +this.model.isOrderly = (this.appendToModelIndex == null); +isPdbThisModel = this.model.isBioModel; iLast = modelIndex; addH = isPdbThisModel && this.doAddHydrogens; if (this.jbr != null) this.jbr.setHaveHsAlready (false); @@ -36028,15 +36168,16 @@ var isotope = iterAtom.getElementNumber (); if (addH && JU.Elements.getElementNumber (isotope) == 1) this.jbr.setHaveHsAlready (true); var name = iterAtom.getAtomName (); var charge = (addH ? this.getPdbCharge (group3, name) : iterAtom.getFormalCharge ()); -this.addAtom (isPdbThisModel, iterAtom.getSymmetry (), iterAtom.getAtomSite (), iterAtom.getUniqueID (), isotope, name, charge, iterAtom.getPartialCharge (), iterAtom.getTensors (), iterAtom.getOccupancy (), iterAtom.getBfactor (), iterAtom.getXYZ (), iterAtom.getIsHetero (), iterAtom.getSerial (), iterAtom.getSeqID (), group3, iterAtom.getVib (), iterAtom.getAltLoc (), iterAtom.getRadius ()); +this.addAtom (isPdbThisModel, iterAtom.getSymmetry (), iterAtom.getAtomSite (), iterAtom.getUniqueID (), isotope, name, charge, iterAtom.getPartialCharge (), iterAtom.getTensors (), iterAtom.getOccupancy (), iterAtom.getBfactor (), iterAtom.getXYZ (), iterAtom.getIsHetero (), iterAtom.getSerial (), iterAtom.getSeqID (), group3, iterAtom.getVib (), iterAtom.getAltLoc (), iterAtom.getRadius (), iterAtom.getBondRadius ()); } if (this.groupCount > 0 && addH) { this.jbr.addImplicitHydrogenAtoms (adapter, this.groupCount - 1, this.isNewChain && !isLegacyHAddition ? 1 : 0); }iLast = -1; var vdwtypeLast = null; var atoms = this.ms.at; +models[0].firstAtomIndex = 0; for (var i = 0; i < this.ms.ac; i++) { -if (atoms[i].mi != iLast) { +if (atoms[i] != null && atoms[i].mi > iLast) { iLast = atoms[i].mi; models[iLast].firstAtomIndex = i; var vdwtype = this.ms.getDefaultVdwType (iLast); @@ -36076,7 +36217,7 @@ Clazz_defineMethod (c$, "getPdbCharge", return (group3.equals ("ARG") && name.equals ("NH1") || group3.equals ("LYS") && name.equals ("NZ") || group3.equals ("HIS") && name.equals ("ND1") ? 1 : 0); }, "~S,~S"); Clazz_defineMethod (c$, "addAtom", - function (isPDB, atomSymmetry, atomSite, atomUid, atomicAndIsotopeNumber, atomName, formalCharge, partialCharge, tensors, occupancy, bfactor, xyz, isHetero, atomSerial, atomSeqID, group3, vib, alternateLocationID, radius) { + function (isPDB, atomSymmetry, atomSite, atomUid, atomicAndIsotopeNumber, atomName, formalCharge, partialCharge, tensors, occupancy, bfactor, xyz, isHetero, atomSerial, atomSeqID, group3, vib, alternateLocationID, radius, bondRadius) { var specialAtomID = 0; var atomType = null; if (atomName != null) { @@ -36088,10 +36229,10 @@ atomName = atomName.substring (0, i); if (atomName.indexOf ('*') >= 0) atomName = atomName.$replace ('*', '\''); specialAtomID = this.vwr.getJBR ().lookupSpecialAtomID (atomName); if (specialAtomID == 2 && "CA".equalsIgnoreCase (group3)) specialAtomID = 0; -}}var atom = this.ms.addAtom (this.iModel, this.nullGroup, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry); +}}var atom = this.ms.addAtom (this.iModel, this.nullGroup, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry, bondRadius); atom.altloc = alternateLocationID; this.htAtomMap.put (atomUid, atom); -}, "~B,JU.BS,~N,~O,~N,~S,~N,~N,JU.Lst,~N,~N,JU.P3,~B,~N,~N,~S,JU.V3,~S,~N"); +}, "~B,JU.BS,~N,~O,~N,~S,~N,~N,JU.Lst,~N,~N,JU.P3,~B,~N,~N,~S,JU.V3,~S,~N,~N"); Clazz_defineMethod (c$, "checkNewGroup", function (adapter, chainID, group3, groupSequenceNumber, groupInsertionCode, addH, isLegacyHAddition) { var group3i = (group3 == null ? null : group3.intern ()); @@ -36165,7 +36306,12 @@ var isNear = (order == 1025); var isFar = (order == 1041); var bond; if (isNear || isFar) { -bond = this.ms.bondMutually (atom1, atom2, (this.is2D ? order : 1), this.ms.getDefaultMadFromOrder (1), 0); +var m = atom1.getModelIndex (); +if (m != this.lastModel) { +this.lastModel = m; +var info = this.ms.getModelAuxiliaryInfo (m); +this.isMOL2D = (info != null && "2D".equals (info.get ("dimension"))); +}bond = this.ms.bondMutually (atom1, atom2, (this.isMOL2D ? order : 1), this.ms.getDefaultMadFromOrder (1), 0); if (this.vStereo == null) { this.vStereo = new JU.Lst (); }this.vStereo.addLast (bond); @@ -36226,16 +36372,18 @@ for (var imodel = this.baseModelIndex; imodel < this.ms.mc; imodel++) if (this.m }}); Clazz_defineMethod (c$, "initializeBonding", function () { -var bsExclude = (this.ms.getInfoM ("someModelsHaveCONECT") == null ? null : new JU.BS ()); -if (bsExclude != null) this.ms.setPdbConectBonding (this.baseAtomIndex, this.baseModelIndex, bsExclude); +var modelCount = this.ms.mc; +var models = this.ms.am; var modelAtomCount = 0; -var symmetryAlreadyAppliedToBonds = this.vwr.getBoolean (603979794); +var bsExclude = this.ms.getInfoM ("bsExcludeBonding"); +if (bsExclude == null) { +bsExclude = (this.ms.getInfoM ("someModelsHaveCONECT") == null ? null : new JU.BS ()); +if (bsExclude != null) this.ms.setPdbConectBonding (this.baseAtomIndex, this.baseModelIndex, bsExclude); +}var symmetryAlreadyAppliedToBonds = this.vwr.getBoolean (603979794); var doAutoBond = this.vwr.getBoolean (603979798); var forceAutoBond = this.vwr.getBoolean (603979846); var bs = null; var autoBonding = false; -var modelCount = this.ms.mc; -var models = this.ms.am; if (!this.noAutoBond) for (var i = this.baseModelIndex; i < modelCount; i++) { modelAtomCount = models[i].bsAtoms.cardinality (); var modelBondCount = this.ms.getInfoI (i, "initialBondCount"); @@ -36340,14 +36488,33 @@ this.ms.elementsPresent = new Array (this.ms.mc); for (var i = 0; i < this.ms.mc; i++) this.ms.elementsPresent[i] = JU.BS.newN (64); for (var i = this.ms.ac; --i >= 0; ) { -var n = this.ms.at[i].getAtomicAndIsotopeNumber (); +var a = this.ms.at[i]; +if (a == null) continue; +var n = a.getAtomicAndIsotopeNumber (); if (n >= JU.Elements.elementNumberMax) n = JU.Elements.elementNumberMax + JU.Elements.altElementIndexFromNumber (n); -this.ms.elementsPresent[this.ms.at[i].mi].set (n); +this.ms.elementsPresent[a.mi].set (n); } }); Clazz_defineMethod (c$, "applyStereochemistry", function () { -this.set2dZ (this.baseAtomIndex, this.ms.ac); +this.set2DLengths (this.baseAtomIndex, this.ms.ac); +var v = new JU.V3 (); +if (this.vStereo != null) { +out : for (var i = this.vStereo.size (); --i >= 0; ) { +var b = this.vStereo.get (i); +var a1 = b.atom1; +var bonds = a1.bonds; +for (var j = a1.getBondCount (); --j >= 0; ) { +var b2 = bonds[j]; +if (b2 === b) continue; +var a2 = b2.getOtherAtom (a1); +v.sub2 (a2, a1); +if (Math.abs (v.x) < 0.1) { +if ((b.order == 1025) == (v.y < 0)) this.stereodir = -1; +break out; +}} +} +}this.set2dZ (this.baseAtomIndex, this.ms.ac, v); if (this.vStereo != null) { var bsToTest = new JU.BS (); bsToTest.setBits (this.baseAtomIndex, this.ms.ac); @@ -36366,32 +36533,53 @@ b.atom2.y = (b.atom1.y + b.atom2.y) / 2; this.vStereo = null; }this.is2D = false; }); -Clazz_defineMethod (c$, "set2dZ", +Clazz_defineMethod (c$, "set2DLengths", function (iatom1, iatom2) { +var scaling = 0; +var n = 0; +for (var i = iatom1; i < iatom2; i++) { +var a = this.ms.at[i]; +var bonds = a.bonds; +if (bonds == null) continue; +for (var j = bonds.length; --j >= 0; ) { +if (bonds[j] == null) continue; +var b = bonds[j].getOtherAtom (a); +if (b.getAtomNumber () != 1 && b.getIndex () > i) { +scaling += b.distance (a); +n++; +}} +} +if (n == 0) return; +scaling = 1.45 / (scaling / n); +for (var i = iatom1; i < iatom2; i++) { +this.ms.at[i].scale (scaling); +} +}, "~N,~N"); +Clazz_defineMethod (c$, "set2dZ", + function (iatom1, iatom2, v) { var atomlist = JU.BS.newN (iatom2); var bsBranch = new JU.BS (); -var v = new JU.V3 (); var v0 = JU.V3.new3 (0, 1, 0); var v1 = new JU.V3 (); var bs0 = new JU.BS (); bs0.setBits (iatom1, iatom2); for (var i = iatom1; i < iatom2; i++) if (!atomlist.get (i) && !bsBranch.get (i)) { -bsBranch = this.getBranch2dZ (i, -1, bs0, bsBranch, v, v0, v1); +bsBranch = this.getBranch2dZ (i, -1, bs0, bsBranch, v, v0, v1, this.stereodir); atomlist.or (bsBranch); } -}, "~N,~N"); +}, "~N,~N,JU.V3"); Clazz_defineMethod (c$, "getBranch2dZ", - function (atomIndex, atomIndexNot, bs0, bsBranch, v, v0, v1) { + function (atomIndex, atomIndexNot, bs0, bsBranch, v, v0, v1, dir) { var bs = JU.BS.newN (this.ms.ac); if (atomIndex < 0) return bs; var bsToTest = new JU.BS (); bsToTest.or (bs0); if (atomIndexNot >= 0) bsToTest.clear (atomIndexNot); -JM.ModelLoader.setBranch2dZ (this.ms.at[atomIndex], bs, bsToTest, v, v0, v1); +JM.ModelLoader.setBranch2dZ (this.ms.at[atomIndex], bs, bsToTest, v, v0, v1, dir); return bs; -}, "~N,~N,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3"); +}, "~N,~N,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3,~N"); c$.setBranch2dZ = Clazz_defineMethod (c$, "setBranch2dZ", - function (atom, bs, bsToTest, v, v0, v1) { + function (atom, bs, bsToTest, v, v0, v1, dir) { var atomIndex = atom.i; if (!bsToTest.get (atomIndex)) return; bsToTest.clear (atomIndex); @@ -36401,19 +36589,20 @@ for (var i = atom.bonds.length; --i >= 0; ) { var bond = atom.bonds[i]; if (bond.isHydrogen ()) continue; var atom2 = bond.getOtherAtom (atom); -JM.ModelLoader.setAtom2dZ (atom, atom2, v, v0, v1); -JM.ModelLoader.setBranch2dZ (atom2, bs, bsToTest, v, v0, v1); +JM.ModelLoader.setAtom2dZ (atom, atom2, v, v0, v1, dir); +JM.ModelLoader.setBranch2dZ (atom2, bs, bsToTest, v, v0, v1, dir); } -}, "JM.Atom,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3"); +}, "JM.Atom,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3,~N"); c$.setAtom2dZ = Clazz_defineMethod (c$, "setAtom2dZ", - function (atomRef, atom2, v, v0, v1) { + function (atomRef, atom2, v, v0, v1, dir) { v.sub2 (atom2, atomRef); v.z = 0; v.normalize (); v1.cross (v0, v); var theta = Math.acos (v.dot (v0)); -atom2.z = atomRef.z + (0.8 * Math.sin (4 * theta)); -}, "JM.Atom,JM.Atom,JU.V3,JU.V3,JU.V3"); +var f = (0.4 * -dir * Math.sin (4 * theta)); +atom2.z = atomRef.z + f; +}, "JM.Atom,JM.Atom,JU.V3,JU.V3,JU.V3,~N"); Clazz_defineMethod (c$, "finalizeShapes", function () { this.ms.sm = this.vwr.shm; @@ -36791,8 +36980,13 @@ haveVibration = false; pointGroup = null; } else { pts = this.at; -}}if (type != null && type.indexOf (":") >= 0) type = type.substring (0, type.indexOf (":")); -pointGroup = symmetry.setPointGroup (pointGroup, center, pts, bs, haveVibration, (isPoints ? 0 : this.vwr.getFloat (570425382)), this.vwr.getFloat (570425384), localEnvOnly); +}}var tp; +if (type != null && (tp = type.indexOf (":")) >= 0) type = type.substring (0, tp); +if (type != null && (tp = type.indexOf (".")) >= 0) { +index = JU.PT.parseInt (type.substring (tp + 1)); +if (index < 0) index = 0; +type = type.substring (0, tp); +}pointGroup = symmetry.setPointGroup (pointGroup, center, pts, bs, haveVibration, (isPoints ? 0 : this.vwr.getFloat (570425382)), this.vwr.getFloat (570425384), localEnvOnly); if (!isPolyhedron && !isPoints) this.pointGroup = pointGroup; if (!doAll && !asInfo) return pointGroup.getPointGroupName (); var ret = pointGroup.getPointGroupInfo (modelIndex, id, asInfo, type, index, scale); @@ -36890,16 +37084,30 @@ bsDeleted = this.getModelAtomBitSetIncludingDeleted (-1, true); this.vwr.zap (true, false, false); return bsDeleted; }this.validateBspf (false); -var newModels = new Array (this.mc - nModelsDeleted); -var oldModels = this.am; bsDeleted = new JU.BS (); -for (var i = 0, mpt = 0; i < this.mc; i++) if (bsModels.get (i)) { -this.getAtomCountInModel (i); +var allOrderly = true; +var isOneOfSeveral = false; +var files = new JU.BS (); +for (var i = 0; i < this.mc; i++) { +var m = this.am[i]; +allOrderly = new Boolean (allOrderly & m.isOrderly).valueOf (); +if (bsModels.get (i)) { +if (m.fileIndex >= 0) files.set (m.fileIndex); bsDeleted.or (this.getModelAtomBitSetIncludingDeleted (i, false)); } else { -this.am[i].modelIndex = mpt; -newModels[mpt++] = this.am[i]; -} +if (m.fileIndex >= 0 && files.get (m.fileIndex)) isOneOfSeveral = true; +}} +if (!allOrderly || isOneOfSeveral) { +this.vwr.deleteAtoms (bsDeleted, false); +return null; +}var newModels = new Array (this.mc - nModelsDeleted); +var oldModels = this.am; +for (var i = 0, mpt = 0; i < this.mc; i++) { +if (!bsModels.get (i)) { +var m = this.am[i]; +m.modelIndex = mpt; +newModels[mpt++] = m; +}} this.am = newModels; var oldModelCount = this.mc; var bsBonds = this.getBondsForSelectedAtoms (bsDeleted, true); @@ -36908,12 +37116,15 @@ for (var i = 0, mpt = 0; i < oldModelCount; i++) { if (!bsModels.get (i)) { mpt++; continue; -}var nAtoms = oldModels[i].act; +}var old = oldModels[i]; +var nAtoms = old.act; if (nAtoms == 0) continue; -var bsModelAtoms = oldModels[i].bsAtoms; -var firstAtomIndex = oldModels[i].firstAtomIndex; +var bsModelAtoms = old.bsAtoms; +var firstAtomIndex = old.firstAtomIndex; JU.BSUtil.deleteBits (this.bsSymmetry, bsModelAtoms); -this.deleteModel (mpt, firstAtomIndex, nAtoms, bsModelAtoms, bsBonds); +this.deleteModel (mpt, bsModelAtoms, bsBonds); +this.deleteModelAtoms (firstAtomIndex, nAtoms, bsModelAtoms); +this.vwr.deleteModelAtoms (mpt, firstAtomIndex, nAtoms, bsModelAtoms); for (var j = oldModelCount; --j > i; ) oldModels[j].fixIndices (mpt, nAtoms, bsModelAtoms); this.vwr.shm.deleteShapeAtoms ( Clazz_newArray (-1, [newModels, this.at, Clazz_newIntArray (-1, [mpt, firstAtomIndex, nAtoms])]), bsModelAtoms); @@ -36933,6 +37144,7 @@ return bsDeleted; }, "JU.BS"); Clazz_defineMethod (c$, "resetMolecules", function () { +this.bsAll = null; this.molecules = null; this.moleculeCount = 0; this.resetChirality (); @@ -36943,12 +37155,13 @@ if (this.haveChirality) { var modelIndex = -1; for (var i = this.ac; --i >= 0; ) { var a = this.at[i]; +if (a == null) continue; a.setCIPChirality (0); -if (a.mi != modelIndex) this.am[modelIndex = a.mi].hasChirality = false; +if (a.mi != modelIndex && a.mi < this.am.length) this.am[modelIndex = a.mi].hasChirality = false; } }}); Clazz_defineMethod (c$, "deleteModel", - function (modelIndex, firstAtomIndex, nAtoms, bsModelAtoms, bsBonds) { + function (modelIndex, bsModelAtoms, bsBonds) { if (modelIndex < 0) { return; }this.modelNumbers = JU.AU.deleteElements (this.modelNumbers, modelIndex, 1); @@ -36974,9 +37187,7 @@ this.unitCells = JU.AU.deleteElements (this.unitCells, modelIndex, 1); if (!this.stateScripts.get (i).deleteAtoms (modelIndex, bsBonds, bsModelAtoms)) { this.stateScripts.removeItemAt (i); }} -this.deleteModelAtoms (firstAtomIndex, nAtoms, bsModelAtoms); -this.vwr.deleteModelAtoms (modelIndex, firstAtomIndex, nAtoms, bsModelAtoms); -}, "~N,~N,~N,JU.BS,JU.BS"); +}, "~N,JU.BS,JU.BS"); Clazz_defineMethod (c$, "setAtomProperty", function (bs, tok, iValue, fValue, sValue, values, list) { switch (tok) { @@ -37038,7 +37249,7 @@ var mad = this.getDefaultMadFromOrder (1); this.am[modelIndex].resetDSSR (false); for (var i = 0, n = this.am[modelIndex].act + 1; i < vConnections.size (); i++, n++) { var atom1 = vConnections.get (i); -var atom2 = this.addAtom (modelIndex, atom1.group, 1, "H" + n, null, n, atom1.getSeqID (), n, pts[i], NaN, null, 0, 0, 100, NaN, null, false, 0, null); +var atom2 = this.addAtom (modelIndex, atom1.group, 1, "H" + n, null, n, atom1.getSeqID (), n, pts[i], NaN, null, 0, 0, 100, NaN, null, false, 0, null, NaN); atom2.setMadAtom (this.vwr, rd); bs.set (atom2.i); this.bondAtoms (atom1, atom2, 1, mad, null, 0, false, false); @@ -37176,6 +37387,7 @@ var bsModels = this.vwr.getVisibleFramesBitSet (); var bs = new JU.BS (); for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; if (!bsModels.get (atom.mi)) i = this.am[atom.mi].firstAtomIndex; else if (atom.checkVisible () && rect.contains (atom.sX, atom.sY)) bs.set (i); } @@ -37200,12 +37412,15 @@ return (r == 0 ? 10 : r); }if (useBoundBox && this.getDefaultBoundBox () != null) return this.defaultBBox.getMaxDim () / 2 * 1.2; var maxRadius = 0; for (var i = this.ac; --i >= 0; ) { -if (this.isJmolDataFrameForAtom (this.at[i])) { -modelIndex = this.at[i].mi; -while (i >= 0 && this.at[i].mi == modelIndex) i--; +var atom = this.at[i]; +if (atom == null) continue; +if (this.isJmolDataFrameForAtom (atom)) { +modelIndex = atom.mi; +while (i >= 0 && this.at[i] != null && this.at[i].mi == modelIndex) i--; continue; -}var atom = this.at[i]; +}atom = this.at[i]; +if (atom == null) continue; var distAtom = center.distance (atom); var outerVdw = distAtom + this.getRadiusVdwJmol (atom); if (outerVdw > maxRadius) maxRadius = outerVdw; @@ -37341,7 +37556,7 @@ return ptCenter; }, "JU.BS"); Clazz_defineMethod (c$, "getAverageAtomPoint", function () { -return (this.getAtomSetCenter (this.vwr.bsA ())); +return this.getAtomSetCenter (this.vwr.bsA ()); }); Clazz_defineMethod (c$, "setAPm", function (bs, tok, iValue, fValue, sValue, values, list) { @@ -37405,9 +37620,11 @@ var isAll = (atomList == null); allTrajectories = new Boolean (allTrajectories & (this.trajectory != null)).valueOf (); var i0 = (isAll ? 0 : atomList.nextSetBit (0)); for (var i = i0; i >= 0 && i < this.ac; i = (isAll ? i + 1 : atomList.nextSetBit (i + 1))) { +if (this.at[i] == null) continue; bs.set (modelIndex = this.at[i].mi); if (allTrajectories) this.trajectory.getModelBS (modelIndex, bs); -i = this.am[modelIndex].firstAtomIndex + this.am[modelIndex].act - 1; +var m = this.am[modelIndex]; +if (m.isOrderly) i = m.firstAtomIndex + m.act - 1; } return bs; }, "JU.BS,~B"); @@ -37435,7 +37652,7 @@ for (var iAtom = bs.nextSetBit (0); iAtom >= 0; iAtom = bs.nextSetBit (iAtom + 1 }if ((mode & 8) != 0) { var nH = Clazz_newIntArray (1, 0); atomData.hAtomRadius = this.vwr.getVanderwaalsMar (1) / 1000; -atomData.hAtoms = this.calculateHydrogens (atomData.bsSelected, nH, false, true, null); +atomData.hAtoms = this.calculateHydrogens (atomData.bsSelected, nH, null, 512); atomData.hydrogenAtomCount = nH[0]; return; }if (atomData.modelIndex < 0) atomData.firstAtomIndex = (atomData.bsSelected == null ? 0 : Math.max (0, atomData.bsSelected.nextSetBit (0))); @@ -37797,7 +38014,7 @@ if (JU.Logger.debugging) JU.Logger.debug ("sequential bspt order"); var bsNew = JU.BS.newN (this.mc); for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; -if (!atom.isDeleted () && !this.isTrajectorySubFrame (atom.mi)) { +if (atom != null && !atom.isDeleted () && !this.isTrajectorySubFrame (atom.mi)) { bspf.addTuple (this.am[atom.mi].trajectoryBaseIndex, atom); bsNew.set (atom.mi); }} @@ -37869,7 +38086,6 @@ return (asCopy ? JU.BSUtil.copy (bs) : bs); }, "~N,~B"); Clazz_defineMethod (c$, "getAtomBitsMaybeDeleted", function (tokType, specInfo) { -var info; var bs; switch (tokType) { default: @@ -37893,16 +38109,15 @@ for (var i = bs.nextSetBit (0); i >= 0; i = bs.nextSetBit (i + 1)) if (!boxInfo. return bs; case 1094713349: bs = new JU.BS (); -info = specInfo; -this.ptTemp1.set (info[0] / 1000, info[1] / 1000, info[2] / 1000); +var pt = specInfo; var ignoreOffset = false; -for (var i = this.ac; --i >= 0; ) if (this.isInLatticeCell (i, this.ptTemp1, this.ptTemp2, ignoreOffset)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isInLatticeCell (i, pt, this.ptTemp2, ignoreOffset)) bs.set (i); return bs; case 1094713350: bs = JU.BSUtil.newBitSet2 (0, this.ac); -info = specInfo; -var minmax = Clazz_newIntArray (-1, [Clazz_doubleToInt (info[0] / 1000) - 1, Clazz_doubleToInt (info[1] / 1000) - 1, Clazz_doubleToInt (info[2] / 1000) - 1, Clazz_doubleToInt (info[0] / 1000), Clazz_doubleToInt (info[1] / 1000), Clazz_doubleToInt (info[2] / 1000), 0]); +var pt1 = specInfo; +var minmax = Clazz_newIntArray (-1, [Clazz_floatToInt (pt1.x) - 1, Clazz_floatToInt (pt1.y) - 1, Clazz_floatToInt (pt1.z) - 1, Clazz_floatToInt (pt1.x), Clazz_floatToInt (pt1.y), Clazz_floatToInt (pt1.z), 0]); for (var i = this.mc; --i >= 0; ) { var uc = this.getUnitCell (i); if (uc == null) { @@ -37921,6 +38136,7 @@ var modelIndex = -1; var nOps = 0; for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; var bsSym = atom.atomSymmetry; if (bsSym != null) { if (atom.mi != modelIndex) { @@ -37941,7 +38157,7 @@ bs = new JU.BS (); var unitcell = this.vwr.getCurrentUnitCell (); if (unitcell == null) return bs; this.ptTemp1.set (1, 1, 1); -for (var i = this.ac; --i >= 0; ) if (this.isInLatticeCell (i, this.ptTemp1, this.ptTemp2, false)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isInLatticeCell (i, this.ptTemp1, this.ptTemp2, false)) bs.set (i); return bs; } @@ -38050,7 +38266,7 @@ if (distance < 0) { distance = -distance; for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; -if (modelIndex >= 0 && this.at[i].mi != modelIndex) continue; +if (atom == null || modelIndex >= 0 && atom.mi != modelIndex) continue; if (!bsResult.get (i) && atom.getFractionalUnitDistance (coord, this.ptTemp1, this.ptTemp2) <= distance) bsResult.set (atom.i); } return bsResult; @@ -38155,7 +38371,7 @@ j = 2147483646; } else { if (j == i) continue; atomB = this.at[j]; -if (atomA.mi != atomB.mi || atomB.isDeleted ()) continue; +if (atomB == null || atomA.mi != atomB.mi || atomB.isDeleted ()) continue; if (altloc != '\0' && altloc != atomB.altloc && atomB.altloc != '\0') continue; bondAB = atomA.getBond (atomB); }if ((bondAB == null ? idOrModifyOnly : createOnly) || checkDistance && !this.isInRange (atomA, atomB, minD, maxD, minDIsFrac, maxDIsFrac, isFractional) || isAromatic && !this.allowAromaticBond (bondAB)) continue; @@ -38165,8 +38381,10 @@ nNew++; } else { if (notAnyAndNoId) { bondAB.setOrder (order); -if (isAtrop) bondAB.setAtropisomerOptions (bsA, bsB); -this.bsAromatic.clear (bondAB.index); +if (isAtrop) { +this.haveAtropicBonds = true; +bondAB.setAtropisomerOptions (bsA, bsB); +}this.bsAromatic.clear (bondAB.index); }if (anyOrNoId || order == bondAB.order || newOrder == bondAB.order || matchHbond && bondAB.isHydrogen ()) { bsBonds.set (bondAB.index); nModified++; @@ -38213,7 +38431,7 @@ for (var i = i0; i >= 0 && i < this.ac; i = (isAll ? i + 1 : bsCheck.nextSetBit var isAtomInSetA = (isAll || bsA.get (i)); var isAtomInSetB = (isAll || bsB.get (i)); var atom = this.at[i]; -if (atom.isDeleted ()) continue; +if (atom == null || atom.isDeleted ()) continue; var modelIndex = atom.mi; if (modelIndex != lastModelIndex) { lastModelIndex = modelIndex; @@ -38223,6 +38441,9 @@ continue; }useOccupation = this.getInfoB (modelIndex, "autoBondUsingOccupation"); }var myBondingRadius = atom.getBondingRadius (); if (myBondingRadius == 0) continue; +var myFormalCharge = atom.getFormalCharge (); +var useCharge = (myFormalCharge != 0); +if (useCharge) myFormalCharge = Math.signum (myFormalCharge); var isFirstExcluded = (bsExclude != null && bsExclude.get (i)); var searchRadius = myBondingRadius + this.maxBondingRadius + bondTolerance; this.setIteratorForAtom (iter, -1, i, searchRadius, null); @@ -38232,7 +38453,7 @@ if (atomNear.isDeleted ()) continue; var j = atomNear.i; var isNearInSetA = (isAll || bsA.get (j)); var isNearInSetB = (isAll || bsB.get (j)); -if (!isNearInSetA && !isNearInSetB || !(isAtomInSetA && isNearInSetB || isAtomInSetB && isNearInSetA) || isFirstExcluded && bsExclude.get (j) || useOccupation && this.occupancies != null && (this.occupancies[i] < 50) != (this.occupancies[j] < 50)) continue; +if (!isNearInSetA && !isNearInSetB || !(isAtomInSetA && isNearInSetB || isAtomInSetB && isNearInSetA) || isFirstExcluded && bsExclude.get (j) || useOccupation && this.occupancies != null && (this.occupancies[i] < 50) != (this.occupancies[j] < 50) || useCharge && (Math.signum (atomNear.getFormalCharge ()) == myFormalCharge)) continue; var order = (this.isBondable (myBondingRadius, atomNear.getBondingRadius (), iter.foundDistance2 (), minBondDistance2, bondTolerance) ? 1 : 0); if (order > 0 && this.autoBondCheck (atom, atomNear, order, mad, bsBonds)) nNew++; } @@ -38274,16 +38495,17 @@ var nNew = 0; this.initializeBspf (); var lastModelIndex = -1; for (var i = this.ac; --i >= 0; ) { +var atom = this.at[i]; +if (atom == null) continue; var isAtomInSetA = (bsA == null || bsA.get (i)); var isAtomInSetB = (bsB == null || bsB.get (i)); if (!isAtomInSetA && !isAtomInSetB) continue; -var atom = this.at[i]; if (atom.isDeleted ()) continue; var modelIndex = atom.mi; if (modelIndex != lastModelIndex) { lastModelIndex = modelIndex; if (this.isJmolDataFrameForModel (modelIndex)) { -for (; --i >= 0; ) if (this.at[i].mi != modelIndex) break; +for (; --i >= 0; ) if (this.at[i] == null || this.at[i].mi != modelIndex) break; i++; continue; @@ -38344,15 +38566,16 @@ bsCO.set (i); break; } } -}var dmax = this.vwr.getFloat (570425361); +}var dmax; var min2; if (haveHAtoms) { -if (dmax > JM.ModelSet.hbondMaxReal) dmax = JM.ModelSet.hbondMaxReal; +dmax = this.vwr.getFloat (570425361); min2 = 1; } else { +dmax = this.vwr.getFloat (570425360); min2 = JM.ModelSet.hbondMinRasmol * JM.ModelSet.hbondMinRasmol; }var max2 = dmax * dmax; -var minAttachedAngle = (this.vwr.getFloat (570425360) * 3.141592653589793 / 180); +var minAttachedAngle = (this.vwr.getFloat (570425359) * 3.141592653589793 / 180); var nNew = 0; var d2 = 0; var v1 = new JU.V3 (); @@ -38435,6 +38658,7 @@ var lastid = -1; var imodel = -1; var lastmodel = -1; for (var i = 0; i < this.ac; i++) { +if (this.at[i] == null) continue; if ((imodel = this.at[i].mi) != lastmodel) { idnew = 0; lastmodel = imodel; @@ -38506,63 +38730,24 @@ newModels[i].loadState = " model create #" + i + ";"; this.am = newModels; this.mc = newModelCount; }, "~N"); -Clazz_defineMethod (c$, "assignAtom", -function (atomIndex, type, autoBond, addHsAndBond) { -this.clearDB (atomIndex); -if (type == null) type = "C"; -var atom = this.at[atomIndex]; -var bs = new JU.BS (); -var wasH = (atom.getElementNumber () == 1); -var atomicNumber = JU.Elements.elementNumberFromSymbol (type, true); -var isDelete = false; -if (atomicNumber > 0) { -this.setElement (atom, atomicNumber, !addHsAndBond); -this.vwr.shm.setShapeSizeBs (0, 0, this.vwr.rd, JU.BSUtil.newAndSetBit (atomIndex)); -this.setAtomName (atomIndex, type + atom.getAtomNumber (), !addHsAndBond); -if (this.vwr.getBoolean (603983903)) this.am[atom.mi].isModelKit = true; -if (!this.am[atom.mi].isModelKit) this.taintAtom (atomIndex, 0); -} else if (type.equals ("Pl")) { -atom.setFormalCharge (atom.getFormalCharge () + 1); -} else if (type.equals ("Mi")) { -atom.setFormalCharge (atom.getFormalCharge () - 1); -} else if (type.equals ("X")) { -isDelete = true; -} else if (!type.equals (".")) { -return; -}if (!addHsAndBond) return; -this.removeUnnecessaryBonds (atom, isDelete); -var dx = 0; -if (atom.getCovalentBondCount () == 1) if (wasH) { -dx = 1.50; -} else if (!wasH && atomicNumber == 1) { -dx = 1.0; -}if (dx != 0) { -var v = JU.V3.newVsub (atom, this.at[atom.getBondedAtomIndex (0)]); -var d = v.length (); -v.normalize (); -v.scale (dx - d); -this.setAtomCoordRelative (atomIndex, v.x, v.y, v.z); -}var bsA = JU.BSUtil.newAndSetBit (atomIndex); -if (atomicNumber != 1 && autoBond) { -this.validateBspf (false); -bs = this.getAtomsWithinRadius (1.0, bsA, false, null); -bs.andNot (bsA); -if (bs.nextSetBit (0) >= 0) this.vwr.deleteAtoms (bs, false); -bs = this.vwr.getModelUndeletedAtomsBitSet (atom.mi); -bs.andNot (this.getAtomBitsMDa (1612709900, null, new JU.BS ())); -this.makeConnections2 (0.1, 1.8, 1, 1073741904, bsA, bs, null, false, false, 0); -}if (true) this.vwr.addHydrogens (bsA, false, true); -}, "~N,~S,~B,~B"); Clazz_defineMethod (c$, "deleteAtoms", function (bs) { if (bs == null) return; var bsBonds = new JU.BS (); -for (var i = bs.nextSetBit (0); i >= 0 && i < this.ac; i = bs.nextSetBit (i + 1)) this.at[i].$delete (bsBonds); - +var doNull = false; +for (var i = bs.nextSetBit (0); i >= 0 && i < this.ac; i = bs.nextSetBit (i + 1)) { +this.at[i].$delete (bsBonds); +if (doNull) this.at[i] = null; +} for (var i = 0; i < this.mc; i++) { -this.am[i].bsAtomsDeleted.or (bs); -this.am[i].bsAtomsDeleted.and (this.am[i].bsAtoms); -this.am[i].resetDSSR (false); +var m = this.am[i]; +m.resetDSSR (false); +m.bsAtomsDeleted.or (bs); +m.bsAtomsDeleted.and (m.bsAtoms); +bs = JU.BSUtil.andNot (m.bsAtoms, m.bsAtomsDeleted); +m.firstAtomIndex = bs.nextSetBit (0); +m.act = bs.cardinality (); +m.isOrderly = (m.act == m.bsAtoms.length ()); } this.deleteBonds (bsBonds, false); this.validateBspf (false); @@ -38624,7 +38809,7 @@ if (this.atomSerials != null) this.atomSerials = JU.AU.arrayCopyI (this.atomSeri if (this.atomSeqIDs != null) this.atomSeqIDs = JU.AU.arrayCopyI (this.atomSeqIDs, newLength); }, "~N"); Clazz_defineMethod (c$, "addAtom", -function (modelIndex, group, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry) { +function (modelIndex, group, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry, bondRadius) { var atom = new JM.Atom ().setAtom (modelIndex, this.ac, xyz, radius, atomSymmetry, atomSite, atomicAndIsotopeNumber, formalCharge, isHetero); this.am[modelIndex].act++; this.am[modelIndex].bsAtoms.set (this.ac); @@ -38652,9 +38837,10 @@ this.atomSerials[this.ac] = atomSerial; if (this.atomSeqIDs == null) this.atomSeqIDs = Clazz_newIntArray (this.at.length, 0); this.atomSeqIDs[this.ac] = atomSeqID; }if (vib != null) this.setVibrationVector (this.ac, vib); +if (!Float.isNaN (bondRadius)) this.setBondingRadius (this.ac, bondRadius); this.ac++; return atom; -}, "~N,JM.Group,~N,~S,~S,~N,~N,~N,JU.P3,~N,JU.V3,~N,~N,~N,~N,JU.Lst,~B,~N,JU.BS"); +}, "~N,JM.Group,~N,~S,~S,~N,~N,~N,JU.P3,~N,JU.V3,~N,~N,~N,~N,JU.Lst,~B,~N,JU.BS,~N"); Clazz_defineMethod (c$, "getInlineData", function (modelIndex) { var data = null; @@ -38701,12 +38887,16 @@ var lastModelIndex = 2147483647; var atomNo = 1; for (var i = iFirst; i < this.ac; ++i) { var atom = this.at[i]; +if (atom == null) continue; if (atom.mi != lastModelIndex) { lastModelIndex = atom.mi; atomNo = (isZeroBased ? 0 : 1); -}if (i >= -baseAtomIndex) { -if (this.atomSerials[i] == 0 || baseAtomIndex < 0) this.atomSerials[i] = (i < baseAtomIndex ? mergeSet.atomSerials[i] : atomNo); +}var ano = this.atomSerials[i]; +if (i >= -baseAtomIndex) { +if (ano == 0 || baseAtomIndex < 0) this.atomSerials[i] = (i < baseAtomIndex ? mergeSet.atomSerials[i] : atomNo); if (this.atomNames[i] == null || baseAtomIndex < 0) this.atomNames[i] = (atom.getElementSymbol () + this.atomSerials[i]).intern (); +} else if (ano > atomNo) { +atomNo = ano; }if (!this.am[lastModelIndex].isModelKit || atom.getElementNumber () > 0 && !atom.isDeleted ()) atomNo++; } }, "~N,~N,JM.AtomCollection"); @@ -39333,9 +39523,7 @@ for (var i = bsAtoms.nextSetBit (0); i >= 0; i = bsAtoms.nextSetBit (i + 1)) s + return s; }, "JU.BS,~B"); Clazz_defineStatics (c$, -"hbondMinRasmol", 2.5, -"hbondMaxReal", 3.5, -"hbondHCMaxReal", 3.2); +"hbondMinRasmol", 2.5); }); Clazz_declarePackage ("JM"); Clazz_load (["JU.M3", "$.P3"], "JM.Orientation", ["JU.PT", "JU.Escape"], function () { @@ -40798,6 +40986,7 @@ var boxed = Integer.$valueOf (JU.Elements.altElementNumbers[i]); map.put (symbol, boxed); if (symbol.length == 2) map.put (symbol.toUpperCase (), boxed); } +map.put ("Z", Integer.$valueOf (0)); JU.Elements.htElementMap = map; }if (elementSymbol == null) return 0; var boxedAtomicNumber = JU.Elements.htElementMap.get (elementSymbol); @@ -41025,7 +41214,17 @@ if (Clazz_instanceOf (x, JU.T3)) return JU.Escape.eP (x); if (JU.AU.isAP (x)) return JU.Escape.eAP (x); if (JU.AU.isAS (x)) return JU.Escape.eAS (x, true); if (Clazz_instanceOf (x, JU.M34)) return JU.PT.rep (JU.PT.rep (x.toString (), "[\n ", "["), "] ]", "]]"); -if (Clazz_instanceOf (x, JU.A4)) { +if (JU.AU.isAFF (x)) { +var ff = x; +var sb = new JU.SB ().append ("["); +var sep = ""; +for (var i = 0; i < ff.length; i++) { +sb.append (sep).append (JU.Escape.eAF (ff[i])); +sep = ","; +} +sb.append ("]"); +return sb.toString (); +}if (Clazz_instanceOf (x, JU.A4)) { var a = x; return "{" + a.x + " " + a.y + " " + a.z + " " + (a.angle * 180 / 3.141592653589793) + "}"; }if (Clazz_instanceOf (x, JU.Quat)) return (x).toString (); @@ -42170,7 +42369,6 @@ if (this.outputBuffer != null && s != null) this.outputBuffer.append (s).appendC }, "~S"); Clazz_overrideMethod (c$, "setCallbackFunction", function (callbackName, callbackFunction) { -if (callbackName.equalsIgnoreCase ("modelkit")) return; if (callbackName.equalsIgnoreCase ("language")) { this.consoleMessage (""); this.consoleMessage (null); @@ -42701,6 +42899,235 @@ this.value = value; this.next = next; }, "~N,~N,JU.Int2IntHashEntry"); Clazz_declarePackage ("JU"); +Clazz_load (null, "JU.JSJSONParser", ["java.lang.Boolean", "$.Float", "java.util.Hashtable", "JU.JSONException", "$.Lst", "$.SB"], function () { +c$ = Clazz_decorateAsClass (function () { +this.str = null; +this.index = 0; +this.len = 0; +this.asHashTable = false; +Clazz_instantialize (this, arguments); +}, JU, "JSJSONParser"); +Clazz_makeConstructor (c$, +function () { +}); +Clazz_defineMethod (c$, "parseMap", +function (str, asHashTable) { +this.index = 0; +this.asHashTable = asHashTable; +this.str = str; +this.len = str.length; +if (this.getChar () != '{') return null; +this.returnChar (); +return this.getValue (false); +}, "~S,~B"); +Clazz_defineMethod (c$, "parse", +function (str, asHashTable) { +this.index = 0; +this.asHashTable = asHashTable; +this.str = str; +this.len = str.length; +return this.getValue (false); +}, "~S,~B"); +Clazz_defineMethod (c$, "next", + function () { +return (this.index < this.len ? this.str.charAt (this.index++) : '\0'); +}); +Clazz_defineMethod (c$, "returnChar", + function () { +this.index--; +}); +Clazz_defineMethod (c$, "getChar", + function () { +for (; ; ) { +var c = this.next (); +if (c.charCodeAt (0) == 0 || c > ' ') { +return c; +}} +}); +Clazz_defineMethod (c$, "getValue", + function (isKey) { +var i = this.index; +var c = this.getChar (); +switch (c) { +case '\0': +return null; +case '"': +case '\'': +return this.getString (c); +case '{': +if (!isKey) return this.getObject (); +c = String.fromCharCode ( 0); +break; +case '[': +if (!isKey) return this.getArray (); +c = String.fromCharCode ( 0); +break; +default: +this.returnChar (); +while (c >= ' ' && "[,]{:}'\"".indexOf (c) < 0) c = this.next (); + +this.returnChar (); +if (isKey && c != ':') c = String.fromCharCode ( 0); +break; +} +if (isKey && c.charCodeAt (0) == 0) throw new JU.JSONException ("invalid key"); +var string = this.str.substring (i, this.index).trim (); +if (!isKey) { +if (string.equals ("true")) { +return Boolean.TRUE; +}if (string.equals ("false")) { +return Boolean.FALSE; +}if (string.equals ("null")) { +return (this.asHashTable ? string : null); +}}c = string.charAt (0); +if (c >= '0' && c <= '9' || c == '-') try { +if (string.indexOf ('.') < 0 && string.indexOf ('e') < 0 && string.indexOf ('E') < 0) return new Integer (string); +var d = Float.$valueOf (string); +if (!d.isInfinite () && !d.isNaN ()) return d; +} catch (e) { +if (Clazz_exceptionOf (e, Exception)) { +} else { +throw e; +} +} +System.out.println ("JSON parser cannot parse " + string); +throw new JU.JSONException ("invalid value"); +}, "~B"); +Clazz_defineMethod (c$, "getString", + function (quote) { +var c; +var sb = null; +var i0 = this.index; +for (; ; ) { +var i1 = this.index; +switch (c = this.next ()) { +case '\0': +case '\n': +case '\r': +throw this.syntaxError ("Unterminated string"); +case '\\': +switch (c = this.next ()) { +case '"': +case '\'': +case '\\': +case '/': +break; +case 'b': +c = '\b'; +break; +case 't': +c = '\t'; +break; +case 'n': +c = '\n'; +break; +case 'f': +c = '\f'; +break; +case 'r': +c = '\r'; +break; +case 'u': +var i = this.index; +this.index += 4; +try { +c = String.fromCharCode (Integer.parseInt (this.str.substring (i, this.index), 16)); +} catch (e) { +if (Clazz_exceptionOf (e, Exception)) { +throw this.syntaxError ("Substring bounds error"); +} else { +throw e; +} +} +break; +default: +throw this.syntaxError ("Illegal escape."); +} +break; +default: +if (c == quote) return (sb == null ? this.str.substring (i0, i1) : sb.toString ()); +break; +} +if (this.index > i1 + 1) { +if (sb == null) { +sb = new JU.SB (); +sb.append (this.str.substring (i0, i1)); +}}if (sb != null) sb.appendC (c); +} +}, "~S"); +Clazz_defineMethod (c$, "getObject", + function () { +var map = (this.asHashTable ? new java.util.Hashtable () : new java.util.HashMap ()); +var key = null; +switch (this.getChar ()) { +case '}': +return map; +case 0: +throw new JU.JSONException ("invalid object"); +} +this.returnChar (); +var isKey = false; +for (; ; ) { +if ((isKey = !isKey) == true) key = this.getValue (true).toString (); + else map.put (key, this.getValue (false)); +switch (this.getChar ()) { +case '}': +return map; +case ':': +if (isKey) continue; +isKey = true; +case ',': +if (!isKey) continue; +default: +throw this.syntaxError ("Expected ',' or ':' or '}'"); +} +} +}); +Clazz_defineMethod (c$, "getArray", + function () { +var l = new JU.Lst (); +switch (this.getChar ()) { +case ']': +return l; +case '\0': +throw new JU.JSONException ("invalid array"); +} +this.returnChar (); +var isNull = false; +for (; ; ) { +if (isNull) { +l.addLast (null); +isNull = false; +} else { +l.addLast (this.getValue (false)); +}switch (this.getChar ()) { +case ',': +switch (this.getChar ()) { +case ']': +return l; +case ',': +isNull = true; +default: +this.returnChar (); +} +continue; +case ']': +return l; +default: +throw this.syntaxError ("Expected ',' or ']'"); +} +} +}); +Clazz_defineMethod (c$, "syntaxError", +function (message) { +return new JU.JSONException (message + " for " + this.str.substring (0, Math.min (this.index, this.len))); +}, "~S"); +}); +Clazz_declarePackage ("JU"); +Clazz_load (["java.lang.RuntimeException"], "JU.JSONException", null, function () { +c$ = Clazz_declareType (JU, "JSONException", RuntimeException); +}); +Clazz_declarePackage ("JU"); Clazz_declareInterface (JU, "SimpleNode"); Clazz_declarePackage ("JU"); Clazz_declareInterface (JU, "SimpleEdge"); @@ -42723,10 +43150,18 @@ return JU.Edge.argbsHbondType[argbIndex]; c$.getBondOrderNumberFromOrder = Clazz_defineMethod (c$, "getBondOrderNumberFromOrder", function (order) { order &= -131073; -if (order == 131071 || order == 65535) return "0"; -if (JU.Edge.isOrderH (order) || JU.Edge.isAtropism (order) || (order & 256) != 0) return JU.Edge.EnumBondOrder.SINGLE.number; +switch (order) { +case 131071: +case 65535: +return "0"; +case 1025: +case 1041: +return "1"; +default: +if (JU.Edge.isOrderH (order) || JU.Edge.isAtropism (order) || (order & 256) != 0) return "1"; if ((order & 224) != 0) return (order >> 5) + "." + (order & 0x1F); return JU.Edge.EnumBondOrder.getNumberFromCode (order); +} }, "~N"); c$.getCmlBondOrder = Clazz_defineMethod (c$, "getCmlBondOrder", function (order) { @@ -42753,6 +43188,10 @@ switch (order) { case 65535: case 131071: return ""; +case 1025: +return "near"; +case 1041: +return "far"; case 32768: return JU.Edge.EnumBondOrder.STRUT.$$name; case 1: @@ -42770,7 +43209,7 @@ return JU.Edge.EnumBondOrder.getNameFromCode (order); }, "~N"); c$.getAtropismOrder = Clazz_defineMethod (c$, "getAtropismOrder", function (nn, mm) { -return JU.Edge.getAtropismOrder12 (((nn + 1) << 2) + mm + 1); +return JU.Edge.getAtropismOrder12 (((nn) << 2) + mm); }, "~N,~N"); c$.getAtropismOrder12 = Clazz_defineMethod (c$, "getAtropismOrder12", function (nnmm) { @@ -42782,7 +43221,7 @@ return (order >> (11)) & 0xF; }, "~N"); c$.getAtropismNode = Clazz_defineMethod (c$, "getAtropismNode", function (order, a1, isFirst) { -var i1 = (order >> (11 + (isFirst ? 2 : 0))) & 3; +var i1 = (order >> (11 + (isFirst ? 0 : 2))) & 3; return a1.getEdges ()[i1 - 1].getOtherNode (a1); }, "~N,JU.Node,~B"); c$.isAtropism = Clazz_defineMethod (c$, "isAtropism", @@ -42848,6 +43287,10 @@ throw e; } return order; }, "~S"); +Clazz_overrideMethod (c$, "getBondType", +function () { +return this.order; +}); Clazz_defineMethod (c$, "setCIPChirality", function (c) { }, "~N"); @@ -42966,6 +43409,7 @@ this.elementNumberMax = 0; this.altElementMax = 0; this.mf = null; this.atomList = null; +this.atNos = null; Clazz_instantialize (this, arguments); }, JU, "JmolMolecule"); Clazz_prepareFields (c$, function () { @@ -42985,10 +43429,11 @@ var moleculeCount = 0; var molecules = new Array (4); if (bsExclude == null) bsExclude = new JU.BS (); for (var i = 0; i < atoms.length; i++) if (!bsExclude.get (i) && !bsBranch.get (i)) { -if (atoms[i].isDeleted ()) { +var a = atoms[i]; +if (a == null || a.isDeleted ()) { bsExclude.set (i); continue; -}var modelIndex = atoms[i].getModelIndex (); +}var modelIndex = a.getModelIndex (); if (modelIndex != thisModelIndex) { thisModelIndex = modelIndex; indexInModel = 0; @@ -43022,19 +43467,28 @@ return m.getMolecularFormula (false, wts, isEmpirical); }, "~A,JU.BS,~A,~B"); Clazz_defineMethod (c$, "getMolecularFormula", function (includeMissingHydrogens, wts, isEmpirical) { +return this.getMolecularFormulaImpl (includeMissingHydrogens, wts, isEmpirical); +}, "~B,~A,~B"); +Clazz_defineMethod (c$, "getMolecularFormulaImpl", +function (includeMissingHydrogens, wts, isEmpirical) { if (this.mf != null) return this.mf; if (this.atomList == null) { this.atomList = new JU.BS (); -this.atomList.setBits (0, this.nodes.length); +this.atomList.setBits (0, this.atNos == null ? this.nodes.length : this.atNos.length); }this.elementCounts = Clazz_newIntArray (JU.Elements.elementNumberMax, 0); this.altElementCounts = Clazz_newIntArray (JU.Elements.altElementMax, 0); this.ac = this.atomList.cardinality (); this.nElements = 0; for (var p = 0, i = this.atomList.nextSetBit (0); i >= 0; i = this.atomList.nextSetBit (i + 1), p++) { -var node = this.nodes[i]; +var n; +var node = null; +if (this.atNos == null) { +node = this.nodes[i]; if (node == null) continue; -var n = node.getAtomicAndIsotopeNumber (); -var f = (wts == null ? 1 : Clazz_floatToInt (8 * wts[p])); +n = node.getAtomicAndIsotopeNumber (); +} else { +n = this.atNos[i]; +}var f = (wts == null ? 1 : Clazz_floatToInt (8 * wts[p])); if (n < JU.Elements.elementNumberMax) { if (this.elementCounts[n] == 0) this.nElements++; this.elementCounts[n] += f; @@ -44828,14 +45282,10 @@ c$.setOabc = Clazz_defineMethod (c$, "setOabc", function (abcabg, params, ucnew) { if (abcabg != null) { if (params == null) params = Clazz_newFloatArray (6, 0); -if (abcabg.indexOf ("=") >= 0) { -var tokens = JU.PT.split (abcabg.$replace (",", " "), "="); -if (tokens.length == 7) { -for (var i = 0; i < 6; i++) if (Float.isNaN (params[i] = JU.PT.parseFloat (tokens[i + 1]))) return null; +var tokens = JU.PT.split (abcabg.$replace (',', '='), "="); +if (tokens.length >= 12) for (var i = 0; i < 6; i++) params[i] = JU.PT.parseFloat (tokens[i * 2 + 1]); -} else { -return null; -}}}if (ucnew == null) return null; +}if (ucnew == null) return null; var f = JU.SimpleUnitCell.newA (params).getUnitCellAsArray (true); ucnew[1].set (f[0], f[1], f[2]); ucnew[2].set (f[3], f[4], f[5]); @@ -44863,6 +45313,10 @@ minXYZ.z = 0; maxXYZ.z = 1; } }, "~N,JU.P3i,JU.P3i,~N"); +Clazz_overrideMethod (c$, "toString", +function () { +return "[" + this.a + " " + this.b + " " + this.c + " " + this.alpha + " " + this.beta + " " + this.gamma + "]"; +}); Clazz_defineStatics (c$, "toRadians", 0.017453292, "INFO_DIMENSIONS", 6, @@ -45746,7 +46200,7 @@ break; } if (isBound) { this.dragAtomIndex = this.vwr.findNearestAtomIndexMovable (x, y, true); -if (this.dragAtomIndex >= 0 && (this.apm == 32 || this.apm == 31) && this.vwr.ms.isAtomInLastModel (this.dragAtomIndex)) { +if (this.dragAtomIndex >= 0 && (this.apm == 32 || this.apm == 31)) { if (this.bondPickingMode == 34) { this.vwr.setModelkitProperty ("bondAtomIndex", Integer.$valueOf (this.dragAtomIndex)); }this.enterMeasurementMode (this.dragAtomIndex); @@ -46946,6 +47400,14 @@ throw e; } } }, "~N"); +Clazz_defineMethod (c$, "getUnitCellAtomIndex", +function () { +return this.cai; +}); +Clazz_defineMethod (c$, "setUnitCellAtomIndex", +function (iAtom) { +this.cai = iAtom; +}, "~N"); Clazz_defineMethod (c$, "setViewer", function (clearBackgroundModel) { this.vwr.ms.setTrajectory (this.cmi); @@ -47618,7 +48080,7 @@ return (c.currentPalette == 2147483647 ? null : c); }, "~S"); }); Clazz_declarePackage ("JV"); -Clazz_load (["javajs.api.BytePoster", "java.util.Hashtable"], "JV.FileManager", ["java.io.BufferedInputStream", "$.BufferedReader", "java.lang.Boolean", "java.net.URL", "$.URLEncoder", "java.util.Map", "JU.AU", "$.BArray", "$.Base64", "$.LimitedLineReader", "$.Lst", "$.OC", "$.PT", "$.Rdr", "$.SB", "J.api.Interface", "J.io.FileReader", "JS.SV", "JU.Logger", "JV.JC", "$.JmolAsyncException", "$.Viewer"], function () { +Clazz_load (["javajs.api.BytePoster", "java.util.Hashtable"], "JV.FileManager", ["java.io.BufferedInputStream", "$.BufferedReader", "java.lang.Boolean", "java.net.URL", "$.URLEncoder", "java.util.Map", "JU.AU", "$.BArray", "$.Base64", "$.LimitedLineReader", "$.Lst", "$.OC", "$.PT", "$.Rdr", "$.SB", "J.api.Interface", "J.io.FileReader", "JS.SV", "JU.Escape", "$.Logger", "JV.JC", "$.JmolAsyncException", "$.Viewer"], function () { c$ = Clazz_decorateAsClass (function () { this.vwr = null; this.spartanDoc = null; @@ -47752,7 +48214,6 @@ var fileTypes = new Array (fileNames.length); for (var i = 0; i < fileNames.length; i++) { var pt = fileNames[i].indexOf ("::"); var nameAsGiven = (pt >= 0 ? fileNames[i].substring (pt + 2) : fileNames[i]); -System.out.println (i + " FM " + nameAsGiven); var fileType = (pt >= 0 ? fileNames[i].substring (0, pt) : null); var names = this.getClassifiedName (nameAsGiven, true); if (names.length == 1) return names[0]; @@ -47940,19 +48401,6 @@ throw e; } } }, "~S"); -Clazz_defineMethod (c$, "getEmbeddedFileState", -function (fileName, allowCached, sptName) { -var dir = this.getZipDirectory (fileName, false, allowCached); -if (dir.length == 0) { -var state = this.vwr.getFileAsString4 (fileName, -1, false, true, false, "file"); -return (state.indexOf ("**** Jmol Embedded Script ****") < 0 ? "" : JV.FileManager.getEmbeddedScript (state)); -}for (var i = 0; i < dir.length; i++) if (dir[i].indexOf (sptName) >= 0) { -var data = Clazz_newArray (-1, [fileName + "|" + dir[i], null]); -this.getFileDataAsString (data, -1, false, false, false); -return data[1]; -} -return ""; -}, "~S,~B,~S"); Clazz_defineMethod (c$, "getFullPathNameOrError", function (filename, getStream, ret) { var names = this.getClassifiedName (JV.JC.fixProtocol (filename), true); @@ -48002,7 +48450,10 @@ if (Clazz_instanceOf (t, String) || Clazz_instanceOf (t, java.io.BufferedReader) var bis = t; if (JU.Rdr.isGzipS (bis)) bis = JU.Rdr.getUnzippedInputStream (this.vwr.getJzt (), bis); else if (JU.Rdr.isBZip2S (bis)) bis = JU.Rdr.getUnzippedInputStreamBZip2 (this.vwr.getJzt (), bis); -if (forceInputStream && subFileList == null) return bis; +if (JU.Rdr.isTar (bis)) { +var o = this.vwr.getJzt ().getZipFileDirectory (bis, subFileList, 1, forceInputStream); +return (Clazz_instanceOf (o, String) ? JU.Rdr.getBR (o) : o); +}if (forceInputStream && subFileList == null) return bis; if (JU.Rdr.isCompoundDocumentS (bis)) { var doc = J.api.Interface.getInterface ("JU.CompoundDocument", this.vwr, "file"); doc.setDocStream (this.vwr.getJzt (), bis); @@ -48036,13 +48487,13 @@ var subFileList = null; if (name.indexOf ("|") >= 0) { subFileList = JU.PT.split (name, "|"); name = subFileList[0]; -}var bytes = (subFileList == null ? null : this.getPngjOrDroppedBytes (fullName, name)); +}var bytes = (subFileList != null ? null : this.getPngjOrDroppedBytes (fullName, name)); if (bytes == null) { var t = this.getBufferedInputStreamOrErrorMessageFromName (name, fullName, false, false, null, false, true); if (Clazz_instanceOf (t, String)) return "Error:" + t; try { var bis = t; -bytes = (out != null || subFileList == null || subFileList.length <= 1 || !JU.Rdr.isZipS (bis) && !JU.Rdr.isPngZipStream (bis) ? JU.Rdr.getStreamAsBytes (bis, out) : this.vwr.getJzt ().getZipFileContentsAsBytes (bis, subFileList, 1)); +bytes = (out != null || subFileList == null || subFileList.length <= 1 || !JU.Rdr.isZipS (bis) && !JU.Rdr.isPngZipStream (bis) && !JU.Rdr.isTar (bis) ? JU.Rdr.getStreamAsBytes (bis, out) : this.vwr.getJzt ().getZipFileContentsAsBytes (bis, subFileList, 1)); bis.close (); } catch (ioe) { if (Clazz_exceptionOf (ioe, Exception)) { @@ -48137,12 +48588,12 @@ bytes = (nameOrBytes).data; } else if (echoName == null || Clazz_instanceOf (nameOrBytes, String)) { var names = this.getClassifiedName (nameOrBytes, true); nameOrError = (names == null ? "cannot read file name: " + nameOrBytes : JV.FileManager.fixDOSName (names[0])); -if (names != null) image = this.getJzu ().getImage (this.vwr, nameOrError, echoName, forceSync); +if (names != null) image = this.getImage (nameOrError, echoName, forceSync); isAsynchronous = (image == null); } else { image = nameOrBytes; }if (bytes != null) { -image = this.getJzu ().getImage (this.vwr, bytes, echoName, true); +image = this.getImage (bytes, echoName, true); isAsynchronous = false; }if (Clazz_instanceOf (image, String)) { nameOrError = image; @@ -48151,6 +48602,10 @@ image = null; if (!JV.Viewer.isJS || isPopupImage && nameOrError == null || !isPopupImage && image != null) return this.vwr.loadImageData (image, nameOrError, echoName, null); return isAsynchronous; }, "~O,~S,~B"); +Clazz_defineMethod (c$, "getImage", +function (nameOrBytes, echoName, forceSync) { +return this.getJzu ().getImage (this.vwr, nameOrBytes, echoName, forceSync); +}, "~O,~S,~B"); Clazz_defineMethod (c$, "getClassifiedName", function (name, isFullLoad) { if (name == null) return Clazz_newArray (-1, [null]); @@ -48203,8 +48658,9 @@ names[1] = JV.FileManager.stripPath (names[0]); var name0 = names[0]; names[0] = this.pathForAllFiles + names[1]; JU.Logger.info ("FileManager substituting " + name0 + " --> " + names[0]); -}if (isFullLoad && (file != null || JU.OC.urlTypeIndex (names[0]) == 5)) { -var path = (file == null ? JU.PT.trim (names[0].substring (5), "/") : names[0]); +}if (isFullLoad && JU.OC.isLocal (names[0])) { +var path = names[0]; +if (file == null) path = JU.PT.trim (names[0].substring (names[0].indexOf (":") + 1), "/"); var pt = path.length - names[1].length - 1; if (pt > 0) { path = path.substring (0, pt); @@ -48299,28 +48755,10 @@ function (name) { var pt = Math.max (name.lastIndexOf ("|"), name.lastIndexOf ("/")); return name.substring (pt + 1); }, "~S"); -c$.determineSurfaceTypeIs = Clazz_defineMethod (c$, "determineSurfaceTypeIs", -function (is) { -var br; -try { -br = JU.Rdr.getBufferedReader ( new java.io.BufferedInputStream (is), "ISO-8859-1"); -} catch (e) { -if (Clazz_exceptionOf (e, java.io.IOException)) { -return null; -} else { -throw e; -} -} -return JV.FileManager.determineSurfaceFileType (br); -}, "java.io.InputStream"); c$.isScriptType = Clazz_defineMethod (c$, "isScriptType", function (fname) { return JU.PT.isOneOf (fname.toLowerCase ().substring (fname.lastIndexOf (".") + 1), ";pse;spt;png;pngj;jmol;zip;"); }, "~S"); -c$.isSurfaceType = Clazz_defineMethod (c$, "isSurfaceType", -function (fname) { -return JU.PT.isOneOf (fname.toLowerCase ().substring (fname.lastIndexOf (".") + 1), ";jvxl;kin;o;msms;map;pmesh;mrc;efvet;cube;obj;dssr;bcif;"); -}, "~S"); c$.determineSurfaceFileType = Clazz_defineMethod (c$, "determineSurfaceFileType", function (bufferedReader) { var line = null; @@ -48425,31 +48863,21 @@ for (var i = s.length; --i >= 0; ) if (s[i].indexOf (".spt") >= 0) return "|" + }return null; }, "~S"); -c$.getEmbeddedScript = Clazz_defineMethod (c$, "getEmbeddedScript", -function (script) { -if (script == null) return script; -var pt = script.indexOf ("**** Jmol Embedded Script ****"); -if (pt < 0) return script; -var pt1 = script.lastIndexOf ("/*", pt); -var pt2 = script.indexOf ((script.charAt (pt1 + 2) == '*' ? "*" : "") + "*/", pt); -if (pt1 >= 0 && pt2 >= pt) script = script.substring (pt + "**** Jmol Embedded Script ****".length, pt2) + "\n"; -while ((pt1 = script.indexOf (" #Jmol...\u0000")) >= 0) script = script.substring (0, pt1) + script.substring (pt1 + " #Jmol...\u0000".length + 4); - -if (JU.Logger.debugging) JU.Logger.debug (script); -return script; -}, "~S"); c$.getFileReferences = Clazz_defineMethod (c$, "getFileReferences", -function (script, fileList) { +function (script, fileList, fileListUTF) { for (var ipt = 0; ipt < JV.FileManager.scriptFilePrefixes.length; ipt++) { var tag = JV.FileManager.scriptFilePrefixes[ipt]; var i = -1; while ((i = script.indexOf (tag, i + 1)) >= 0) { -var s = JU.PT.getQuotedStringAt (script, i); -if (s.indexOf ("::") >= 0) s = JU.PT.split (s, "::")[1]; +var s = JV.FileManager.stripTypePrefix (JU.PT.getQuotedStringAt (script, i)); +if (s.indexOf ("\\u") >= 0) s = JU.Escape.unescapeUnicode (s); fileList.addLast (s); +if (fileListUTF != null) { +if (s.indexOf ("\\u") >= 0) s = JU.Escape.unescapeUnicode (s); +fileListUTF.addLast (s); +}} } -} -}, "~S,JU.Lst"); +}, "~S,JU.Lst,JU.Lst"); c$.setScriptFileReferences = Clazz_defineMethod (c$, "setScriptFileReferences", function (script, localPath, remotePath, scriptPath) { if (localPath != null) script = JV.FileManager.setScriptFileRefs (script, localPath, true); @@ -48469,7 +48897,7 @@ c$.setScriptFileRefs = Clazz_defineMethod (c$, "setScriptFileRefs", if (dataPath == null) return script; var noPath = (dataPath.length == 0); var fileNames = new JU.Lst (); -JV.FileManager.getFileReferences (script, fileNames); +JV.FileManager.getFileReferences (script, fileNames, null); var oldFileNames = new JU.Lst (); var newFileNames = new JU.Lst (); var nFiles = fileNames.size (); @@ -48588,6 +49016,49 @@ throw e; } return (ret == null ? "" : JU.Rdr.fixUTF (ret)); }, "~S,~A"); +c$.isJmolType = Clazz_defineMethod (c$, "isJmolType", +function (type) { +return (type.equals ("PNG") || type.equals ("PNGJ") || type.equals ("JMOL") || type.equals ("ZIP") || type.equals ("ZIPALL")); +}, "~S"); +c$.isEmbeddable = Clazz_defineMethod (c$, "isEmbeddable", +function (type) { +var pt = type.lastIndexOf ('.'); +if (pt >= 0) type = type.substring (pt + 1); +type = type.toUpperCase (); +return (JV.FileManager.isJmolType (type) || JU.PT.isOneOf (type, ";JPG;JPEG;POV;IDTF;")); +}, "~S"); +Clazz_defineMethod (c$, "getEmbeddedFileState", +function (fileName, allowCached, sptName) { +if (!JV.FileManager.isEmbeddable (fileName)) return ""; +var dir = this.getZipDirectory (fileName, false, allowCached); +if (dir.length == 0) { +var state = this.vwr.getFileAsString4 (fileName, -1, false, true, false, "file"); +return (state.indexOf ("**** Jmol Embedded Script ****") < 0 ? "" : JV.FileManager.getEmbeddedScript (state)); +}for (var i = 0; i < dir.length; i++) if (dir[i].indexOf (sptName) >= 0) { +var data = Clazz_newArray (-1, [fileName + "|" + dir[i], null]); +this.getFileDataAsString (data, -1, false, false, false); +return data[1]; +} +return ""; +}, "~S,~B,~S"); +c$.stripTypePrefix = Clazz_defineMethod (c$, "stripTypePrefix", +function (fileName) { +var pt = fileName.indexOf ("::"); +return (pt < 0 || pt >= 20 ? fileName : fileName.substring (pt + 2)); +}, "~S"); +c$.getEmbeddedScript = Clazz_defineMethod (c$, "getEmbeddedScript", +function (s) { +if (s == null) return s; +var pt = s.indexOf ("**** Jmol Embedded Script ****"); +if (pt < 0) return s; +var pt1 = s.lastIndexOf ("/*", pt); +var pt2 = s.indexOf ((s.charAt (pt1 + 2) == '*' ? "*" : "") + "*/", pt); +if (pt1 >= 0 && pt2 >= pt) s = s.substring (pt + "**** Jmol Embedded Script ****".length, pt2) + "\n"; +while ((pt1 = s.indexOf (" #Jmol...\u0000")) >= 0) s = s.substring (0, pt1) + s.substring (pt1 + " #Jmol...\u0000".length + 4); + +if (JU.Logger.debugging) JU.Logger.debug (s); +return s; +}, "~S"); Clazz_defineStatics (c$, "SIMULATION_PROTOCOL", "http://SIMULATION/", "DELPHI_BINARY_MAGIC_NUMBER", "\24\0\0\0", @@ -48635,6 +49106,8 @@ this.smilesUrlFormat = null; this.nihResolverFormat = null; this.pubChemFormat = null; this.macroDirectory = null; +this.resolverResolver = null; +this.checkCIR = false; this.minBondDistance = 0.4; this.minPixelSelRadius = 6; this.pdbAddHydrogens = false; @@ -48652,7 +49125,7 @@ this.jmolInJSpecView = true; this.modulateOccupancy = true; this.allowRotateSelected = false; this.allowMoveAtoms = false; -this.solventOn = false; +this.dotSolvent = false; this.defaultAngleLabel = "%VALUE %UNITS"; this.defaultDistanceLabel = "%VALUE %UNITS"; this.defaultTorsionLabel = "%VALUE %UNITS"; @@ -48690,7 +49163,8 @@ this.partialDots = false; this.bondModeOr = false; this.hbondsBackbone = false; this.hbondsAngleMinimum = 90; -this.hbondsDistanceMaximum = 3.25; +this.hbondNODistanceMaximum = 3.25; +this.hbondHXDistanceMaximum = 2.5; this.hbondsRasmol = true; this.hbondsSolid = false; this.modeMultipleBond = 2; @@ -48848,6 +49322,13 @@ this.vwr = vwr; this.htNonbooleanParameterValues = new java.util.Hashtable (); this.htBooleanParameterFlags = new java.util.Hashtable (); this.htPropertyFlagsRemoved = new java.util.Hashtable (); +this.loadFormat = this.pdbLoadFormat = JV.JC.databases.get ("pdb"); +this.pdbLoadLigandFormat = JV.JC.databases.get ("ligand"); +this.nmrUrlFormat = JV.JC.databases.get ("nmr"); +this.nmrPredictFormat = JV.JC.databases.get ("nmrdb"); +this.pubChemFormat = JV.JC.databases.get ("pubchem"); +this.resolverResolver = JV.JC.databases.get ("resolverresolver"); +this.macroDirectory = "https://chemapps.stolaf.edu/jmol/macros"; if (g != null) { if (!clearUserVariables) { this.setO ("_pngjFile", g.getParameter ("_pngjFile", false)); @@ -48874,14 +49355,9 @@ this.testFlag1 = g.testFlag1; this.testFlag2 = g.testFlag2; this.testFlag3 = g.testFlag3; this.testFlag4 = g.testFlag4; -}this.loadFormat = this.pdbLoadFormat = JV.JC.databases.get ("pdb"); -this.pdbLoadLigandFormat = JV.JC.databases.get ("ligand"); -this.nmrUrlFormat = JV.JC.databases.get ("nmr"); -this.nmrPredictFormat = JV.JC.databases.get ("nmrdb"); -this.smilesUrlFormat = JV.JC.databases.get ("nci") + "/file?format=sdf&get3d=true"; -this.nihResolverFormat = JV.JC.databases.get ("nci"); -this.pubChemFormat = JV.JC.databases.get ("pubchem"); -this.macroDirectory = "https://chemapps.stolaf.edu/jmol/macros"; +this.nihResolverFormat = g.nihResolverFormat; +}if (this.nihResolverFormat == null) this.nihResolverFormat = JV.JC.databases.get ("nci"); +this.setCIR (this.nihResolverFormat); for (var item, $item = 0, $$item = J.c.CBK.values (); $item < $$item.length && ((item = $$item[$item]) || true); $item++) this.resetValue (item.name () + "Callback", g); this.setF ("cameraDepth", 3.0); @@ -49032,7 +49508,8 @@ this.setB ("fractionalRelative", this.fractionalRelative); this.setF ("particleRadius", this.particleRadius); this.setB ("greyscaleRendering", this.greyscaleRendering); this.setF ("hbondsAngleMinimum", this.hbondsAngleMinimum); -this.setF ("hbondsDistanceMaximum", this.hbondsDistanceMaximum); +this.setF ("hbondHXDistanceMaximum", this.hbondHXDistanceMaximum); +this.setF ("hbondsDistanceMaximum", this.hbondNODistanceMaximum); this.setB ("hbondsBackbone", this.hbondsBackbone); this.setB ("hbondsRasmol", this.hbondsRasmol); this.setB ("hbondsSolid", this.hbondsSolid); @@ -49127,7 +49604,7 @@ this.setO ("macroDirectory", this.macroDirectory); this.setO ("nihResolverFormat", this.nihResolverFormat); this.setO ("pubChemFormat", this.pubChemFormat); this.setB ("showUnitCellDetails", this.showUnitCellDetails); -this.setB ("solventProbe", this.solventOn); +this.setB ("solventProbe", this.dotSolvent); this.setF ("solventProbeRadius", this.solventProbeRadius); this.setB ("ssbondsBackbone", this.ssbondsBackbone); this.setF ("starWidth", this.starWidth); @@ -49372,14 +49849,23 @@ Clazz_defineMethod (c$, "app", if (cmd.length == 0) return; s.append (" ").append (cmd).append (";\n"); }, "JU.SB,~S"); -c$.unreportedProperties = c$.prototype.unreportedProperties = (";ambientpercent;animationfps;antialiasdisplay;antialiasimages;antialiastranslucent;appendnew;axescolor;axesposition;axesmolecular;axesorientationrasmol;axesunitcell;axeswindow;axis1color;axis2color;axis3color;backgroundcolor;backgroundmodel;bondsymmetryatoms;boundboxcolor;cameradepth;bondingversion;ciprule6full;contextdepthmax;debug;debugscript;defaultlatttice;defaults;defaultdropscript;diffusepercent;;exportdrivers;exportscale;_filecaching;_filecache;fontcaching;fontscaling;forcefield;language;hbondsDistanceMaximum;hbondsangleminimum;jmolinJSV;legacyautobonding;legacyhaddition;legacyjavafloat;loglevel;logfile;loggestures;logcommands;measurestylechime;loadformat;loadligandformat;macrodirectory;mkaddhydrogens;minimizationmaxatoms;smilesurlformat;pubchemformat;nihresolverformat;edsurlformat;edsurlcutoff;multiprocessor;navigationmode;;nodelay;pathforallfiles;perspectivedepth;phongexponent;perspectivemodel;platformspeed;preservestate;refreshing;repaintwaitms;rotationradius;selectallmodels;showaxes;showaxis1;showaxis2;showaxis3;showboundbox;showfrank;showtiming;showunitcell;slabenabled;slab;slabrange;depth;zshade;zshadepower;specular;specularexponent;specularpercent;celshading;celshadingpower;specularpower;stateversion;statusreporting;stereo;stereostate;vibrationperiod;unitcellcolor;visualrange;windowcentered;zerobasedxyzrasmol;zoomenabled;mousedragfactor;mousewheelfactor;scriptqueue;scriptreportinglevel;syncscript;syncmouse;syncstereo;defaultdirectory;currentlocalpath;defaultdirectorylocal;ambient;bonds;colorrasmol;diffuse;fractionalrelative;frank;hetero;hidenotselected;hoverlabel;hydrogen;languagetranslation;measurementunits;navigationdepth;navigationslab;picking;pickingstyle;propertycolorschemeoverload;radius;rgbblue;rgbgreen;rgbred;scaleangstromsperinch;selectionhalos;showscript;showselections;solvent;strandcount;spinx;spiny;spinz;spinfps;navx;navy;navz;navfps;" + J.c.CBK.getNameList () + ";undo;atompicking;drawpicking;bondpicking;pickspinrate;picklabel" + ";modelkitmode;autoplaymovie;allowaudio;allowgestures;allowkeystrokes;allowmultitouch;allowmodelkit" + ";dodrop;hovered;historylevel;imagestate;iskiosk;useminimizationthread" + ";showkeystrokes;saveproteinstructurestate;testflag1;testflag2;testflag3;testflag4" + ";selecthetero;selecthydrogen;" + ";").toLowerCase (); +Clazz_defineMethod (c$, "setCIR", +function (template) { +if (template == null || template.equals (this.nihResolverFormat) && this.smilesUrlFormat != null) return; +var pt = template.indexOf ("/structure"); +if (pt > 0) { +this.nihResolverFormat = template.substring (0, pt + 10); +this.smilesUrlFormat = this.nihResolverFormat + "/%FILE/file?format=sdf&get3d=true"; +System.out.println ("CIR resolver set to " + this.nihResolverFormat); +}}, "~S"); +c$.unreportedProperties = c$.prototype.unreportedProperties = (";ambientpercent;animationfps;antialiasdisplay;antialiasimages;antialiastranslucent;appendnew;axescolor;axesposition;axesmolecular;axesorientationrasmol;axesunitcell;axeswindow;axis1color;axis2color;axis3color;backgroundcolor;backgroundmodel;bondsymmetryatoms;boundboxcolor;cameradepth;bondingversion;ciprule6full;contextdepthmax;debug;debugscript;defaultlatttice;defaults;defaultdropscript;diffusepercent;;exportdrivers;exportscale;_filecaching;_filecache;fontcaching;fontscaling;forcefield;language;hbondsDistanceMaximum;hbondsangleminimum;jmolinJSV;legacyautobonding;legacyhaddition;legacyjavafloat;loglevel;logfile;loggestures;logcommands;measurestylechime;loadformat;loadligandformat;macrodirectory;mkaddhydrogens;minimizationmaxatoms;smilesurlformat;pubchemformat;nihresolverformat;edsurlformat;edsurlcutoff;multiprocessor;navigationmode;;nodelay;pathforallfiles;perspectivedepth;phongexponent;perspectivemodel;platformspeed;preservestate;refreshing;repaintwaitms;rotationradius;selectallmodels;showaxes;showaxis1;showaxis2;showaxis3;showboundbox;showfrank;showtiming;showunitcell;slabenabled;slab;slabrange;depth;zshade;zshadepower;specular;specularexponent;specularpercent;celshading;celshadingpower;specularpower;stateversion;statusreporting;stereo;stereostate;vibrationperiod;unitcellcolor;visualrange;windowcentered;zerobasedxyzrasmol;zoomenabled;mousedragfactor;mousewheelfactor;scriptqueue;scriptreportinglevel;syncscript;syncmouse;syncstereo;defaultdirectory;currentlocalpath;defaultdirectorylocal;ambient;bonds;colorrasmol;diffuse;fractionalrelative;frank;hetero;hidenotselected;hoverlabel;hydrogen;languagetranslation;measurementunits;navigationdepth;navigationslab;picking;pickingstyle;propertycolorschemeoverload;radius;rgbblue;rgbgreen;rgbred;scaleangstromsperinch;selectionhalos;showscript;showselections;solvent;strandcount;spinx;spiny;spinz;spinfps;navx;navy;navz;navfps;" + J.c.CBK.getNameList () + ";undo;atompicking;drawpicking;bondpicking;pickspinrate;picklabel" + ";modelkitmode;autoplaymovie;allowaudio;allowgestures;allowkeystrokes;allowmultitouch;allowmodelkit" + ";dodrop;hovered;historylevel;imagestate;iskiosk;useminimizationthread" + ";checkcir;resolverresolver;showkeystrokes;saveproteinstructurestate;testflag1;testflag2;testflag3;testflag4" + ";selecthetero;selecthydrogen;" + ";").toLowerCase (); }); Clazz_declarePackage ("JV"); -Clazz_load (["java.util.Hashtable", "JU.SB", "$.V3", "JU.Elements"], "JV.JC", ["JU.PT"], function () { +Clazz_load (["java.util.Hashtable", "JU.SB", "$.V3", "JU.Elements"], "JV.JC", ["JU.PT", "JU.Logger"], function () { c$ = Clazz_declareType (JV, "JC"); c$.getNBOTypeFromName = Clazz_defineMethod (c$, "getNBOTypeFromName", function (nboType) { -var pt = ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;;;;;;;PRNBO;RNBO;;".indexOf (";" + nboType + ";"); +var pt = ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;PRNBO;RNBO;;;;;;;;".indexOf (";" + nboType + ";"); return (pt < 0 ? pt : Clazz_doubleToInt (pt / 6) + 31); }, "~S"); c$.getCIPChiralityName = Clazz_defineMethod (c$, "getCIPChiralityName", @@ -49467,25 +49953,9 @@ return (format.indexOf ("%FILE") >= 0 ? JU.PT.rep (format, "%FILE", id) : format }, "~S,~S,~S"); c$.fixProtocol = Clazz_defineMethod (c$, "fixProtocol", function (name) { -if (name == null) return name; -if (name.indexOf ("http://www.rcsb.org/pdb/files/") == 0) { -var isLigand = (name.indexOf ("/ligand/") >= 0); -var id = name.substring (name.lastIndexOf ("/") + 1); -return JV.JC.resolveDataBase (null, id, JV.JC.databases.get (isLigand ? "ligand" : "pdb")); -}return (name.indexOf ("http://www.ebi") == 0 || name.indexOf ("http://pubchem") == 0 || name.indexOf ("http://cactus") == 0 || name.indexOf ("http://www.materialsproject") == 0 ? "https://" + name.substring (7) : name); -}, "~S"); -c$.getMacroList = Clazz_defineMethod (c$, "getMacroList", -function () { -var s = new JU.SB (); -for (var i = 0; i < JV.JC.macros.length; i += 3) s.append (JV.JC.macros[i]).append ("\t").append (JV.JC.macros[i + 1]).append ("\t").append (JV.JC.macros[i + 1]).append ("\n"); - -return s.toString (); -}); -c$.getMacro = Clazz_defineMethod (c$, "getMacro", -function (key) { -for (var i = 0; i < JV.JC.macros.length; i += 3) if (JV.JC.macros[i].equals (key)) return JV.JC.macros[i + 1]; - -return null; +var newname = (name == null ? null : name.indexOf ("http://www.rcsb.org/pdb/files/") == 0 ? JV.JC.resolveDataBase (name.indexOf ("/ligand/") >= 0 ? "ligand" : "pdb", name.substring (name.lastIndexOf ("/") + 1), null) : name.indexOf ("http://www.ebi") == 0 || name.indexOf ("http://pubchem") == 0 || name.indexOf ("http://cactus") == 0 || name.indexOf ("http://www.materialsproject") == 0 ? "https://" + name.substring (7) : name); +if (newname !== name) JU.Logger.info ("JC.fixProtocol " + name + " --> " + newname); +return newname; }, "~S"); c$.embedScript = Clazz_defineMethod (c$, "embedScript", function (s) { @@ -49659,7 +50129,7 @@ if (type.indexOf ("t") > 0) i |= 16; }return i; }, "~S"); Clazz_defineStatics (c$, -"NBO_TYPES", ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;;;;;;;PRNBO;RNBO;;", +"NBO_TYPES", ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;PRNBO;RNBO;;;;;;;;", "CIP_CHIRALITY_UNKNOWN", 0, "CIP_CHIRALITY_R_FLAG", 1, "CIP_CHIRALITY_S_FLAG", 2, @@ -49684,7 +50154,8 @@ Clazz_defineStatics (c$, "PDB_ANNOTATIONS", ";dssr;rna3d;dom;val;", "CACTUS_FILE_TYPES", ";alc;cdxml;cerius;charmm;cif;cml;ctx;gjf;gromacs;hyperchem;jme;maestro;mol;mol2;sybyl2;mrv;pdb;sdf;sdf3000;sln;smiles;xyz", "defaultMacroDirectory", "https://chemapps.stolaf.edu/jmol/macros", -"databaseArray", Clazz_newArray (-1, ["aflowbin", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "aflow", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "ams", "'http://rruff.geo.arizona.edu/AMS/viewJmol.php?'+(0+'%file'==0? 'mineral':('%file'.length==7? 'amcsd':'id'))+'=%file&action=showcif#_DOCACHE_'", "dssr", "http://dssr-jmol.x3dna.org/report.php?id=%FILE&opts=--json=ebi", "dssrModel", "http://dssr-jmol.x3dna.org/report.php?POST?opts=--json=ebi&model=", "iucr", "http://scripts.iucr.org/cgi-bin/sendcif_yard?%FILE", "cod", "http://www.crystallography.net/cod/cif/%c1/%c2%c3/%c4%c5/%FILE.cif", "nmr", "http://www.nmrdb.org/new_predictor?POST?molfile=", "nmrdb", "http://www.nmrdb.org/service/predictor?POST?molfile=", "nmrdb13", "http://www.nmrdb.org/service/jsmol13c?POST?molfile=", "magndata", "http://webbdcrista1.ehu.es/magndata/mcif/%FILE.mcif", "rna3d", "http://rna.bgsu.edu/rna3dhub/%TYPE/download/%FILE", "mmtf", "https://mmtf.rcsb.org/v1.0/full/%FILE", "chebi", "https://www.ebi.ac.uk/chebi/saveStructure.do?defaultImage=true&chebiId=%file%2D%", "ligand", "https://files.rcsb.org/ligands/download/%FILE.cif", "mp", "https://www.materialsproject.org/materials/mp-%FILE/cif#_DOCACHE_", "nci", "https://cactus.nci.nih.gov/chemical/structure/%FILE", "pdb", "https://files.rcsb.org/download/%FILE.pdb", "pdb0", "https://files.rcsb.org/download/%FILE.pdb", "pdbe", "https://www.ebi.ac.uk/pdbe/entry-files/download/%FILE.cif", "pdbe2", "https://www.ebi.ac.uk/pdbe/static/entry/%FILE_updated.cif", "pubchem", "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/%FILE/SDF?record_type=3d", "map", "https://www.ebi.ac.uk/pdbe/api/%TYPE/%FILE?pretty=false&metadata=true", "pdbemap", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file.ccp4", "pdbemapdiff", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file_diff.ccp4", "pdbemapserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?space=cartesian&encoding=bcif", "pdbemapdiffserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?space=cartesian&encoding=bcif&diff=1"])); +"databaseArray", Clazz_newArray (-1, ["aflowbin", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "aflow", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "ams", "'http://rruff.geo.arizona.edu/AMS/viewJmol.php?'+(0+'%file'==0? 'mineral':('%file'.length==7? 'amcsd':'id'))+'=%file&action=showcif#_DOCACHE_'", "dssr", "http://dssr-jmol.x3dna.org/report.php?id=%FILE&opts=--json=ebi", "dssrModel", "http://dssr-jmol.x3dna.org/report.php?POST?opts=--json=ebi&model=", "iucr", "http://scripts.iucr.org/cgi-bin/sendcif_yard?%FILE", "cod", "http://www.crystallography.net/cod/cif/%c1/%c2%c3/%c4%c5/%FILE.cif", "nmr", "https://www.nmrdb.org/new_predictor?POST?molfile=", "nmrdb", "https://www.nmrdb.org/service/predictor?POST?molfile=", "nmrdb13", "https://www.nmrdb.org/service/jsmol13c?POST?molfile=", "magndata", "http://webbdcrista1.ehu.es/magndata/mcif/%FILE.mcif", "rna3d", "http://rna.bgsu.edu/rna3dhub/%TYPE/download/%FILE", "mmtf", "https://mmtf.rcsb.org/v1.0/full/%FILE", "chebi", "https://www.ebi.ac.uk/chebi/saveStructure.do?defaultImage=true&chebiId=%file%2D%", "ligand", "https://files.rcsb.org/ligands/download/%FILE.cif", "mp", "https://www.materialsproject.org/materials/mp-%FILE/cif#_DOCACHE_", "nci", "https://cactus.nci.nih.gov/chemical/structure", "pdb", "https://files.rcsb.org/download/%FILE.pdb", "pdb0", "https://files.rcsb.org/download/%FILE.pdb", "pdbe", "https://www.ebi.ac.uk/pdbe/entry-files/download/%FILE.cif", "pdbe2", "https://www.ebi.ac.uk/pdbe/static/entry/%FILE_updated.cif", "pubchem", "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/%FILE/SDF?record_type=3d", "map", "https://www.ebi.ac.uk/pdbe/api/%TYPE/%FILE?pretty=false&metadata=true", "pdbemap", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file.ccp4", "pdbemapdiff", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file_diff.ccp4", "pdbemapserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?detail=6&space=cartesian&encoding=bcif", "pdbemapdiffserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?detail=6&space=cartesian&encoding=bcif&diff=1", "emdbmap", "https://www.ebi.ac.uk/pdbe/densities/emd/emd-%file/cell?detail=6&space=cartesian&encoding=bcif", "emdbquery", "https://www.ebi.ac.uk/emdb/api/search/fitted_pdbs:%file?fl=emdb_id,map_contour_level_value&wt=csv", "emdbmapserver", "https://www.ebi.ac.uk/pdbe/densities/emd/emd-%file/box/0,0,0/0,0,0?detail=6&space=cartesian&encoding=bcif", "resolverResolver", "https://chemapps.stolaf.edu/resolver"]), +"legacyResolver", "cactus.nci.nih.gov/chemical/structure"); c$.databases = c$.prototype.databases = new java.util.Hashtable (); { for (var i = 0; i < JV.JC.databaseArray.length; i += 2) JV.JC.databases.put (JV.JC.databaseArray[i].toLowerCase (), JV.JC.databaseArray[i + 1]); @@ -49863,7 +50334,7 @@ Clazz_defineStatics (c$, "GROUPID_ION_MIN", 46, "GROUPID_ION_MAX", 48, "predefinedVariable", Clazz_newArray (-1, ["@_1H _H & !(_2H,_3H)", "@_12C _C & !(_13C,_14C)", "@_14N _N & !(_15N)", "@solvent water, (_g>=45 & _g<48)", "@ligand _g=0|!(_g<46,protein,nucleic,water)", "@turn structure=1", "@sheet structure=2", "@helix structure=3", "@helix310 substructure=7", "@helixalpha substructure=8", "@helixpi substructure=9", "@bulges within(dssr,'bulges')", "@coaxStacks within(dssr,'coaxStacks')", "@hairpins within(dssr,'hairpins')", "@hbonds within(dssr,'hbonds')", "@helices within(dssr,'helices')", "@iloops within(dssr,'iloops')", "@isoCanonPairs within(dssr,'isoCanonPairs')", "@junctions within(dssr,'junctions')", "@kissingLoops within(dssr,'kissingLoops')", "@multiplets within(dssr,'multiplets')", "@nonStack within(dssr,'nonStack')", "@nts within(dssr,'nts')", "@pairs within(dssr,'pairs')", "@ssSegments within(dssr,'ssSegments')", "@stacks within(dssr,'stacks')", "@stems within(dssr,'stems')"]), -"predefinedStatic", Clazz_newArray (-1, ["@amino _g>0 & _g<=23", "@acidic asp,glu", "@basic arg,his,lys", "@charged acidic,basic", "@negative acidic", "@positive basic", "@neutral amino&!(acidic,basic)", "@polar amino&!hydrophobic", "@peptide protein&within(chain,monomer>1)&!within(chain,monomer>12)", "@cyclic his,phe,pro,trp,tyr", "@acyclic amino&!cyclic", "@aliphatic ala,gly,ile,leu,val", "@aromatic his,phe,trp,tyr", "@cystine within(group,(cys,cyx)&atomname=sg&connected((cys,cyx)&atomname=sg))", "@buried ala,cys,ile,leu,met,phe,trp,val", "@surface amino&!buried", "@hydrophobic ala,gly,ile,leu,met,phe,pro,trp,tyr,val", "@mainchain backbone", "@small ala,gly,ser", "@medium asn,asp,cys,pro,thr,val", "@large arg,glu,gln,his,ile,leu,lys,met,phe,trp,tyr", "@c nucleic & ([C] or [DC] or within(group,_a=42))", "@g nucleic & ([G] or [DG] or within(group,_a=43))", "@cg c,g", "@a nucleic & ([A] or [DA] or within(group,_a=44))", "@t nucleic & ([T] or [DT] or within(group,_a=45 | _a=49))", "@at a,t", "@i nucleic & ([I] or [DI] or within(group,_a=46) & !g)", "@u nucleic & ([U] or [DU] or within(group,_a=47) & !t)", "@tu nucleic & within(group,_a=48)", "@ions _g>=46&_g<48", "@alpha _a=2", "@_bb protein&(_a>=1&_a<6|_a=64) | nucleic&(_a>=6&_a<14|_a>=73&&_a<=79||_a==99||_a=100)", "@backbone _bb | _H && connected(single, _bb)", "@spine protein&_a>=1&_a<4|nucleic&(_a>=6&_a<11|_a=13)", "@sidechain (protein,nucleic) & !backbone", "@base nucleic & !backbone", "@dynamic_flatring search('[a]')", "@nonmetal _H,_He,_B,_C,_N,_O,_F,_Ne,_Si,_P,_S,_Cl,_Ar,_As,_Se,_Br,_Kr,_Te,_I,_Xe,_At,_Rn", "@metal !nonmetal", "@alkaliMetal _Li,_Na,_K,_Rb,_Cs,_Fr", "@alkalineEarth _Be,_Mg,_Ca,_Sr,_Ba,_Ra", "@nobleGas _He,_Ne,_Ar,_Kr,_Xe,_Rn", "@metalloid _B,_Si,_Ge,_As,_Sb,_Te", "@transitionMetal elemno>=21&elemno<=30|elemno=57|elemno=89|elemno>=39&elemno<=48|elemno>=72&elemno<=80|elemno>=104&elemno<=112", "@lanthanide elemno>57&elemno<=71", "@actinide elemno>89&elemno<=103"]), +"predefinedStatic", Clazz_newArray (-1, ["@amino _g>0 & _g<=23", "@acidic asp,glu", "@basic arg,his,lys", "@charged acidic,basic", "@negative acidic", "@positive basic", "@neutral amino&!(acidic,basic)", "@polar amino&!hydrophobic", "@peptide protein&within(chain,monomer>1)&!within(chain,monomer>12)", "@cyclic his,phe,pro,trp,tyr", "@acyclic amino&!cyclic", "@aliphatic ala,gly,ile,leu,val", "@aromatic his,phe,trp,tyr", "@cystine within(group,(cys,cyx)&atomname=sg&connected((cys,cyx)&atomname=sg))", "@buried ala,cys,ile,leu,met,phe,trp,val", "@surface amino&!buried", "@hydrophobic ala,gly,ile,leu,met,phe,pro,trp,tyr,val", "@mainchain backbone", "@small ala,gly,ser", "@medium asn,asp,cys,pro,thr,val", "@large arg,glu,gln,his,ile,leu,lys,met,phe,trp,tyr", "@c nucleic & ([C] or [DC] or within(group,_a=42))", "@g nucleic & ([G] or [DG] or within(group,_a=43))", "@cg c,g", "@a nucleic & ([A] or [DA] or within(group,_a=44))", "@t nucleic & ([T] or [DT] or within(group,_a=45 | _a=49))", "@at a,t", "@i nucleic & ([I] or [DI] or within(group,_a=46) & !g)", "@u nucleic & ([U] or [DU] or within(group,_a=47) & !t)", "@tu nucleic & within(group,_a=48)", "@ions _g>=46&_g<48", "@alpha _a=2", "@_bb protein&(_a>=1&_a<6|_a=64) | nucleic&(_a>=6&_a<14|_a>=73&&_a<=79||_a==99||_a=100)", "@backbone _bb | _H && connected(single, _bb)", "@spine protein&_a>=1&_a<4|nucleic&(_a>=6&_a<11|_a=13)", "@sidechain (protein,nucleic) & !backbone", "@base nucleic & !backbone", "@dynamic_flatring search('[a]')", "@nonmetal _H,_He,_B,_C,_N,_O,_F,_Ne,_Si,_P,_S,_Cl,_Ar,_As,_Se,_Br,_Kr,_Te,_I,_Xe,_At,_Rn", "@metal !nonmetal && !_Xx", "@alkaliMetal _Li,_Na,_K,_Rb,_Cs,_Fr", "@alkalineEarth _Be,_Mg,_Ca,_Sr,_Ba,_Ra", "@nobleGas _He,_Ne,_Ar,_Kr,_Xe,_Rn", "@metalloid _B,_Si,_Ge,_As,_Sb,_Te", "@transitionMetal elemno>=21&elemno<=30|elemno=57|elemno=89|elemno>=39&elemno<=48|elemno>=72&elemno<=80|elemno>=104&elemno<=112", "@lanthanide elemno>57&elemno<=71", "@actinide elemno>89&elemno<=103"]), "MODELKIT_ZAP_STRING", "5\n\nC 0 0 0\nH .63 .63 .63\nH -.63 -.63 .63\nH -.63 .63 -.63\nH .63 -.63 -.63", "MODELKIT_ZAP_TITLE", "Jmol Model Kit", "ZAP_TITLE", "zapped", @@ -49985,8 +50456,9 @@ c$.IMAGE_OR_SCENE = c$.prototype.IMAGE_OR_SCENE = ";jpg;jpeg;jpg64;jpeg64;gif;gi "SMILES_AROMATIC_MMFF94", 0x300, "SMILES_AROMATIC_PLANAR", 0x400, "SMILES_IGNORE_ATOM_CLASS", 0x800, -"SMILES_GEN_EXPLICIT_H", 0x00001000, -"SMILES_GEN_TOPOLOGY", 0x00002000, +"SMILES_GEN_EXPLICIT_H_ALL", 0x00001000, +"SMILES_GEN_EXPLICIT_H2_ONLY", 0x00002000, +"SMILES_GEN_TOPOLOGY", 0x00004000, "SMILES_GEN_POLYHEDRAL", 0x00010000, "SMILES_GEN_ATOM_COMMENT", 0x00020000, "SMILES_GEN_BIO", 0x00100000, @@ -49996,6 +50468,7 @@ c$.IMAGE_OR_SCENE = c$.prototype.IMAGE_OR_SCENE = ";jpg;jpeg;jpg64;jpeg64;gif;gi "SMILES_GEN_BIO_COMMENT", 0x01100000, "SMILES_GEN_BIO_NOCOMMENTS", 0x02100000, "SMILES_GROUP_BY_MODEL", 0x04000000, +"SMILES_2D", 0x08000000, "JSV_NOT", -1, "JSV_SEND_JDXMOL", 0, "JSV_SETPEAKS", 7, @@ -50431,7 +50904,9 @@ Clazz_defineMethod (c$, "getShapeIdFromObjectName", function (objectName) { if (this.shapes != null) for (var i = 16; i < 30; ++i) if (this.shapes[i] != null && this.shapes[i].getIndexFromName (objectName) >= 0) return i; -return -1; +if (this.shapes[6] != null && this.shapes[6].getIndexFromName (objectName) >= 0) { +return 6; +}return -1; }, "~S"); Clazz_defineMethod (c$, "loadDefaultShapes", function (newModelSet) { @@ -50601,7 +51076,7 @@ this.ms.clearVisibleSets (); if (atoms.length > 0) { for (var i = this.ms.ac; --i >= 0; ) { var atom = atoms[i]; -atom.shapeVisibilityFlags &= -64; +if (atom != null) atom.shapeVisibilityFlags &= -64; if (bsDeleted != null && bsDeleted.get (i)) continue; if (bs.get (atom.mi)) { var f = 1; @@ -51309,6 +51784,13 @@ var name = this.vwr.getP ("_smilesString"); if (name.length != 0) fileName = name; this.cbl.notifyCallback (J.c.CBK.LOADSTRUCT, Clazz_newArray (-1, [sJmol, fullPathName, fileName, modelName, errorMsg, Integer.$valueOf (ptLoad), this.vwr.getP ("_modelNumber"), this.vwr.getModelNumberDotted (this.vwr.ms.mc - 1), isAsync])); }}, "~S,~S,~S,~S,~N,~B,Boolean"); +Clazz_defineMethod (c$, "setStatusModelKit", +function (istate) { +var state = (istate == 1 ? "ON" : "OFF"); +this.setStatusChanged ("modelkit", istate, state, false); +var sJmol = this.jmolScriptCallback (J.c.CBK.MODELKIT); +if (this.notifyEnabled (J.c.CBK.MODELKIT)) this.cbl.notifyCallback (J.c.CBK.MODELKIT, Clazz_newArray (-1, [sJmol, state])); +}, "~N"); Clazz_defineMethod (c$, "setStatusFrameChanged", function (fileNo, modelNo, firstNo, lastNo, currentFrame, currentMorphModel, entryName) { if (this.vwr.ms == null) return; @@ -53467,6 +53949,17 @@ this.errorMessage = null; this.errorMessageUntranslated = null; this.privateKey = 0; this.dataOnly = false; +this.maximumSize = 2147483647; +this.gRight = null; +this.isStereoSlave = false; +this.imageFontScaling = 1; +this.antialiased = false; +this.prevFrame = -2147483648; +this.prevMorphModel = 0; +this.haveJDX = false; +this.jsv = null; +this.outputManager = null; +this.jzt = null; this.isPreviewOnly = false; this.headless = false; this.movableBitSet = null; @@ -53483,23 +53976,15 @@ this.motionEventNumber = 0; this.inMotion = false; this.refreshing = true; this.axesAreTainted = false; -this.maximumSize = 2147483647; -this.gRight = null; -this.isStereoSlave = false; -this.imageFontScaling = 1; this.captureParams = null; this.jsParams = null; -this.antialiased = false; +this.cirChecked = false; this.hoverAtomIndex = -1; this.hoverText = null; this.hoverLabel = "%U"; this.hoverEnabled = true; this.currentCursor = 0; this.ptTemp = null; -this.prevFrame = -2147483648; -this.prevMorphModel = 0; -this.haveJDX = false; -this.jsv = null; this.selectionHalosEnabled = false; this.frankOn = true; this.noFrankEcho = true; @@ -53515,7 +54000,6 @@ this.movingSelected = false; this.showSelected = false; this.atomHighlighted = -1; this.creatingImage = false; -this.outputManager = null; this.bsUserVdws = null; this.userVdws = null; this.userVdwMars = null; @@ -53531,13 +54015,13 @@ this.timeouts = null; this.chainCaseSpecified = false; this.nmrCalculation = null; this.logFileName = null; -this.jzt = null; this.jbr = null; this.jcm = null; this.jsonParser = null; this.triangulator = null; this.nboParser = null; this.macros = null; +this.consoleFontScale = 1; Clazz_instantialize (this, arguments); }, JV, "Viewer", J.api.JmolViewer, [J.atomdata.AtomDataServer, J.api.PlatformViewer]); Clazz_defineMethod (c$, "finalize", @@ -53650,16 +54134,14 @@ var applet = null; var jmol = null; var javaver = "?"; { -if(self.Jmol) { -jmol = Jmol; -applet = +if(self.Jmol) { jmol = Jmol; applet = Jmol._applets[this.htmlName.split("_object")[0]]; javaver = Jmol._version; } }if (javaver != null) { this.html5Applet = applet; JV.Viewer.jmolObject = jmol; JV.Viewer.strJavaVersion = javaver; -JV.Viewer.strJavaVendor = "Java2Script " + ((this, JV.Viewer).isWebGL ? "(WebGL)" : "(HTML5)"); +JV.Viewer.strJavaVendor = "Java2Script " + (JV.Viewer.isWebGL ? "(WebGL)" : "(HTML5)"); }o = J.api.Interface.getInterface (platform, this, "setOptions"); }this.apiPlatform = o; this.display = info.get ("display"); @@ -53751,14 +54233,482 @@ this.setStartupBooleans (); this.setIntProperty ("_nProcessors", JV.Viewer.nProcessors); if (!this.isSilent) { JU.Logger.info ("(C) 2015 Jmol Development" + "\nJmol Version: " + JV.Viewer.getJmolVersion () + "\njava.vendor: " + JV.Viewer.strJavaVendor + "\njava.version: " + JV.Viewer.strJavaVersion + "\nos.name: " + JV.Viewer.strOSName + "\nAccess: " + this.access + "\nmemory: " + this.getP ("_memory") + "\nprocessors available: " + JV.Viewer.nProcessors + "\nuseCommandThread: " + this.useCommandThread + (!this.isApplet ? "" : "\nappletId:" + this.htmlName + (this.isSignedApplet ? " (signed)" : ""))); -}if (this.allowScripting) this.getScriptManager (); -this.zap (false, true, false); +}this.zap (false, true, false); this.g.setO ("language", J.i18n.GT.getLanguage ()); this.g.setO ("_hoverLabel", this.hoverLabel); this.stm.setJmolDefaults (); JU.Elements.covalentVersion = 1; this.allowArrayDotNotation = true; +if (this.allowScripting) this.getScriptManager (); }, "java.util.Map"); +Clazz_defineMethod (c$, "setMaximumSize", + function (x) { +this.maximumSize = Math.max (x, 100); +}, "~N"); +Clazz_defineMethod (c$, "setStereo", +function (isStereoSlave, gRight) { +this.isStereoSlave = isStereoSlave; +this.gRight = gRight; +}, "~B,~O"); +Clazz_defineMethod (c$, "getMenu", +function (type) { +this.getPopupMenu (); +if (type.equals ("\0")) { +this.popupMenu (this.screenWidth - 120, 0, 'j'); +return "OK"; +}return (this.jmolpopup == null ? "" : this.jmolpopup.jpiGetMenuAsString ("Jmol version " + JV.Viewer.getJmolVersion () + "|_GET_MENU|" + type)); +}, "~S"); +Clazz_overrideMethod (c$, "resizeInnerPanel", +function (width, height) { +if (!this.autoExit && this.haveDisplay) return this.sm.resizeInnerPanel (width, height); +this.setScreenDimension (width, height); +return Clazz_newIntArray (-1, [this.screenWidth, this.screenHeight]); +}, "~N,~N"); +Clazz_overrideMethod (c$, "setScreenDimension", +function (width, height) { +height = Math.min (height, this.maximumSize); +width = Math.min (width, this.maximumSize); +if (this.tm.stereoDoubleFull) width = Clazz_doubleToInt ((width + 1) / 2); +if (this.screenWidth == width && this.screenHeight == height) return; +this.resizeImage (width, height, false, false, true); +}, "~N,~N"); +Clazz_defineMethod (c$, "resizeImage", +function (width, height, isImageWrite, isExport, isReset) { +if (!isImageWrite && this.creatingImage) return; +var wasAntialiased = this.antialiased; +this.antialiased = (isReset ? this.g.antialiasDisplay && this.checkMotionRendering (603979786) : isImageWrite && !isExport ? this.g.antialiasImages : false); +if (!isExport && !isImageWrite && (width > 0 || wasAntialiased != this.antialiased)) this.setShapeProperty (5, "clearBoxes", null); +this.imageFontScaling = (this.antialiased ? 2 : 1) * (isReset || this.tm.scale3D || width <= 0 ? 1 : (this.g.zoomLarge == (height > width) ? height : width) * 1 / this.getScreenDim ()); +if (width > 0) { +this.screenWidth = width; +this.screenHeight = height; +if (!isImageWrite) { +this.g.setI ("_width", width); +this.g.setI ("_height", height); +}} else { +width = (this.screenWidth == 0 ? this.screenWidth = 500 : this.screenWidth); +height = (this.screenHeight == 0 ? this.screenHeight = 500 : this.screenHeight); +}this.tm.setScreenParameters (width, height, isImageWrite || isReset ? this.g.zoomLarge : false, this.antialiased, false, false); +this.gdata.setWindowParameters (width, height, this.antialiased); +if (width > 0 && !isImageWrite) this.setStatusResized (width, height); +}, "~N,~N,~B,~B,~B"); +Clazz_overrideMethod (c$, "getScreenWidth", +function () { +return this.screenWidth; +}); +Clazz_overrideMethod (c$, "getScreenHeight", +function () { +return this.screenHeight; +}); +Clazz_defineMethod (c$, "getScreenDim", +function () { +return (this.g.zoomLarge == (this.screenHeight > this.screenWidth) ? this.screenHeight : this.screenWidth); +}); +Clazz_defineMethod (c$, "setWidthHeightVar", +function () { +this.g.setI ("_width", this.screenWidth); +this.g.setI ("_height", this.screenHeight); +}); +Clazz_defineMethod (c$, "getBoundBoxCenterX", +function () { +return Clazz_doubleToInt (this.screenWidth / 2); +}); +Clazz_defineMethod (c$, "getBoundBoxCenterY", +function () { +return Clazz_doubleToInt (this.screenHeight / 2); +}); +Clazz_defineMethod (c$, "updateWindow", + function (width, height) { +if (!this.refreshing || this.creatingImage) return (this.refreshing ? false : !JV.Viewer.isJS); +if (this.isTainted || this.tm.slabEnabled) this.setModelVisibility (); +this.isTainted = false; +if (this.rm != null) { +if (width != 0) this.setScreenDimension (width, height); +}return true; +}, "~N,~N"); +Clazz_defineMethod (c$, "getImage", + function (isDouble, isImageWrite) { +var image = null; +try { +this.beginRendering (isDouble, isImageWrite); +this.render (); +this.gdata.endRendering (); +image = this.gdata.getScreenImage (isImageWrite); +} catch (e$$) { +if (Clazz_exceptionOf (e$$, Error)) { +var er = e$$; +{ +this.gdata.getScreenImage (isImageWrite); +this.handleError (er, false); +this.setErrorMessage ("Error during rendering: " + er, null); +} +} else if (Clazz_exceptionOf (e$$, Exception)) { +var e = e$$; +{ +System.out.println ("render error" + e); +} +} else { +throw e$$; +} +} +return image; +}, "~B,~B"); +Clazz_defineMethod (c$, "beginRendering", + function (isDouble, isImageWrite) { +this.gdata.beginRendering (this.tm.getStereoRotationMatrix (isDouble), this.g.translucent, isImageWrite, !this.checkMotionRendering (603979967)); +}, "~B,~B"); +Clazz_defineMethod (c$, "render", + function () { +if (this.mm.modelSet == null || !this.mustRender || !this.refreshing && !this.creatingImage || this.rm == null) return; +var antialias2 = this.antialiased && this.g.antialiasTranslucent; +var navMinMax = this.shm.finalizeAtoms (this.tm.bsSelectedAtoms, true); +if (JV.Viewer.isWebGL) { +this.rm.renderExport (this.gdata, this.ms, this.jsParams); +this.notifyViewerRepaintDone (); +return; +}this.rm.render (this.gdata, this.ms, true, navMinMax); +if (this.gdata.setPass2 (antialias2)) { +this.tm.setAntialias (antialias2); +this.rm.render (this.gdata, this.ms, false, null); +this.tm.setAntialias (this.antialiased); +}}); +Clazz_defineMethod (c$, "drawImage", + function (graphic, img, x, y, isDTI) { +if (graphic != null && img != null) { +this.apiPlatform.drawImage (graphic, img, x, y, this.screenWidth, this.screenHeight, isDTI); +}this.gdata.releaseScreenImage (); +}, "~O,~O,~N,~N,~B"); +Clazz_defineMethod (c$, "getScreenImage", +function () { +return this.getScreenImageBuffer (null, true); +}); +Clazz_overrideMethod (c$, "getScreenImageBuffer", +function (g, isImageWrite) { +if (JV.Viewer.isWebGL) return (isImageWrite ? this.apiPlatform.allocateRgbImage (0, 0, null, 0, false, true) : null); +var isDouble = this.tm.stereoDoubleFull || this.tm.stereoDoubleDTI; +var isBicolor = this.tm.stereoMode.isBiColor (); +var mergeImages = (g == null && isDouble); +var imageBuffer; +if (isBicolor) { +this.beginRendering (true, isImageWrite); +this.render (); +this.gdata.endRendering (); +this.gdata.snapshotAnaglyphChannelBytes (); +this.beginRendering (false, isImageWrite); +this.render (); +this.gdata.endRendering (); +this.gdata.applyAnaglygh (this.tm.stereoMode, this.tm.stereoColors); +imageBuffer = this.gdata.getScreenImage (isImageWrite); +} else { +imageBuffer = this.getImage (isDouble, isImageWrite); +}var imageBuffer2 = null; +if (mergeImages) { +imageBuffer2 = this.apiPlatform.newBufferedImage (imageBuffer, (this.tm.stereoDoubleDTI ? this.screenWidth : this.screenWidth << 1), this.screenHeight); +g = this.apiPlatform.getGraphics (imageBuffer2); +}if (g != null) { +if (isDouble) { +if (this.tm.stereoMode === J.c.STER.DTI) { +this.drawImage (g, imageBuffer, this.screenWidth >> 1, 0, true); +imageBuffer = this.getImage (false, false); +this.drawImage (g, imageBuffer, 0, 0, true); +g = null; +} else { +this.drawImage (g, imageBuffer, this.screenWidth, 0, false); +imageBuffer = this.getImage (false, false); +}}if (g != null) this.drawImage (g, imageBuffer, 0, 0, false); +}return (mergeImages ? imageBuffer2 : imageBuffer); +}, "~O,~B"); +Clazz_defineMethod (c$, "evalStringWaitStatusQueued", +function (returnType, strScript, statusList, isQuiet, isQueued) { +{ +if (strScript.indexOf("JSCONSOLE") == 0) { +this.html5Applet._showInfo(strScript.indexOf("CLOSE")<0); if +(strScript.indexOf("CLEAR") >= 0) +this.html5Applet._clearConsole(); return null; } +}return (this.getScriptManager () == null ? null : this.scm.evalStringWaitStatusQueued (returnType, strScript, statusList, isQuiet, isQueued)); +}, "~S,~S,~S,~B,~B"); +Clazz_defineMethod (c$, "popupMenu", +function (x, y, type) { +if (!this.haveDisplay || !this.refreshing || this.isPreviewOnly || this.g.disablePopupMenu) return; +switch (type) { +case 'j': +try { +this.getPopupMenu (); +this.jmolpopup.jpiShow (x, y); +} catch (e) { +JU.Logger.info (e.toString ()); +this.g.disablePopupMenu = true; +} +break; +case 'a': +case 'b': +case 'm': +if (this.getModelkit (true) == null) { +return; +}this.modelkit.jpiShow (x, y); +break; +} +}, "~N,~N,~S"); +Clazz_defineMethod (c$, "getModelkit", +function (andShow) { +if (this.modelkit == null) { +this.modelkit = this.apiPlatform.getMenuPopup (null, 'm'); +} else if (andShow) { +this.modelkit.jpiUpdateComputedMenus (); +}return this.modelkit; +}, "~B"); +Clazz_defineMethod (c$, "getPopupMenu", +function () { +if (this.g.disablePopupMenu) return null; +if (this.jmolpopup == null) { +this.jmolpopup = (this.allowScripting ? this.apiPlatform.getMenuPopup (this.menuStructure, 'j') : null); +if (this.jmolpopup == null && !this.async) { +this.g.disablePopupMenu = true; +return null; +}}return this.jmolpopup.jpiGetMenuAsObject (); +}); +Clazz_overrideMethod (c$, "setMenu", +function (fileOrText, isFile) { +if (isFile) JU.Logger.info ("Setting menu " + (fileOrText.length == 0 ? "to Jmol defaults" : "from file " + fileOrText)); +if (fileOrText.length == 0) fileOrText = null; + else if (isFile) fileOrText = this.getFileAsString3 (fileOrText, false, null); +this.getProperty ("DATA_API", "setMenu", fileOrText); +this.sm.setCallbackFunction ("menu", fileOrText); +}, "~S,~B"); +Clazz_defineMethod (c$, "setStatusFrameChanged", +function (isVib, doNotify) { +if (isVib) { +this.prevFrame = -2147483648; +}this.tm.setVibrationPeriod (NaN); +var firstIndex = this.am.firstFrameIndex; +var lastIndex = this.am.lastFrameIndex; +var isMovie = this.am.isMovie; +var modelIndex = this.am.cmi; +if (firstIndex == lastIndex && !isMovie) modelIndex = firstIndex; +var frameID = this.getModelFileNumber (modelIndex); +var currentFrame = this.am.cmi; +var fileNo = frameID; +var modelNo = frameID % 1000000; +var firstNo = (isMovie ? firstIndex : this.getModelFileNumber (firstIndex)); +var lastNo = (isMovie ? lastIndex : this.getModelFileNumber (lastIndex)); +var strModelNo; +if (isMovie) { +strModelNo = "" + (currentFrame + 1); +} else if (fileNo == 0) { +strModelNo = this.getModelNumberDotted (firstIndex); +if (firstIndex != lastIndex) strModelNo += " - " + this.getModelNumberDotted (lastIndex); +if (Clazz_doubleToInt (firstNo / 1000000) == Clazz_doubleToInt (lastNo / 1000000)) fileNo = firstNo; +} else { +strModelNo = this.getModelNumberDotted (modelIndex); +}if (fileNo != 0) fileNo = (fileNo < 1000000 ? 1 : Clazz_doubleToInt (fileNo / 1000000)); +if (!isMovie) { +this.g.setI ("_currentFileNumber", fileNo); +this.g.setI ("_currentModelNumberInFile", modelNo); +}var currentMorphModel = this.am.currentMorphModel; +this.g.setI ("_currentFrame", currentFrame); +this.g.setI ("_morphCount", this.am.morphCount); +this.g.setF ("_currentMorphFrame", currentMorphModel); +this.g.setI ("_frameID", frameID); +this.g.setI ("_modelIndex", modelIndex); +this.g.setO ("_modelNumber", strModelNo); +this.g.setO ("_modelName", (modelIndex < 0 ? "" : this.getModelName (modelIndex))); +var title = (modelIndex < 0 ? "" : this.ms.getModelTitle (modelIndex)); +this.g.setO ("_modelTitle", title == null ? "" : title); +this.g.setO ("_modelFile", (modelIndex < 0 ? "" : this.ms.getModelFileName (modelIndex))); +this.g.setO ("_modelType", (modelIndex < 0 ? "" : this.ms.getModelFileType (modelIndex))); +if (currentFrame == this.prevFrame && currentMorphModel == this.prevMorphModel) return; +this.prevFrame = currentFrame; +this.prevMorphModel = currentMorphModel; +var entryName = this.getModelName (currentFrame); +if (isMovie) { +entryName = "" + (entryName === "" ? currentFrame + 1 : this.am.caf + 1) + ": " + entryName; +} else { +var script = "" + this.getModelNumberDotted (currentFrame); +if (!entryName.equals (script)) entryName = script + ": " + entryName; +}this.sm.setStatusFrameChanged (fileNo, modelNo, (this.am.animationDirection < 0 ? -firstNo : firstNo), (this.am.currentDirection < 0 ? -lastNo : lastNo), currentFrame, currentMorphModel, entryName); +if (this.doHaveJDX ()) this.getJSV ().setModel (modelIndex); +if (JV.Viewer.isJS) this.updateJSView (modelIndex, -1); +}, "~B,~B"); +Clazz_defineMethod (c$, "doHaveJDX", + function () { +return (this.haveJDX || (this.haveJDX = this.getBooleanProperty ("_JSpecView".toLowerCase ()))); +}); +Clazz_defineMethod (c$, "getJSV", +function () { +if (this.jsv == null) { +this.jsv = J.api.Interface.getOption ("jsv.JSpecView", this, "script"); +this.jsv.setViewer (this); +}return this.jsv; +}); +Clazz_defineMethod (c$, "getJDXBaseModelIndex", +function (modelIndex) { +if (!this.doHaveJDX ()) return modelIndex; +return this.getJSV ().getBaseModelIndex (modelIndex); +}, "~N"); +Clazz_defineMethod (c$, "getJspecViewProperties", +function (myParam) { +var o = this.sm.getJspecViewProperties ("" + myParam); +if (o != null) this.haveJDX = true; +return o; +}, "~O"); +Clazz_defineMethod (c$, "scriptEcho", +function (strEcho) { +if (!JU.Logger.isActiveLevel (4)) return; +if (JV.Viewer.isJS) System.out.println (strEcho); +this.sm.setScriptEcho (strEcho, this.isScriptQueued ()); +if (this.listCommands && strEcho != null && strEcho.indexOf ("$[") == 0) JU.Logger.info (strEcho); +}, "~S"); +Clazz_defineMethod (c$, "isScriptQueued", + function () { +return this.scm != null && this.scm.isScriptQueued (); +}); +Clazz_defineMethod (c$, "notifyError", +function (errType, errMsg, errMsgUntranslated) { +this.g.setO ("_errormessage", errMsgUntranslated); +this.sm.notifyError (errType, errMsg, errMsgUntranslated); +}, "~S,~S,~S"); +Clazz_defineMethod (c$, "jsEval", +function (strEval) { +return "" + this.sm.jsEval (strEval); +}, "~S"); +Clazz_defineMethod (c$, "jsEvalSV", +function (strEval) { +return JS.SV.getVariable (JV.Viewer.isJS ? this.sm.jsEval (strEval) : this.jsEval (strEval)); +}, "~S"); +Clazz_defineMethod (c$, "setFileLoadStatus", + function (ptLoad, fullPathName, fileName, modelName, strError, isAsync) { +this.setErrorMessage (strError, null); +this.g.setI ("_loadPoint", ptLoad.getCode ()); +var doCallback = (ptLoad !== J.c.FIL.CREATING_MODELSET); +if (doCallback) this.setStatusFrameChanged (false, false); +this.sm.setFileLoadStatus (fullPathName, fileName, modelName, strError, ptLoad.getCode (), doCallback, isAsync); +if (doCallback) { +if (this.doHaveJDX ()) this.getJSV ().setModel (this.am.cmi); +if (JV.Viewer.isJS) this.updateJSView (this.am.cmi, -2); +}}, "J.c.FIL,~S,~S,~S,~S,Boolean"); +Clazz_defineMethod (c$, "getZapName", +function () { +return (this.g.modelKitMode ? "Jmol Model Kit" : "zapped"); +}); +Clazz_defineMethod (c$, "setStatusMeasuring", +function (status, intInfo, strMeasure, value) { +this.sm.setStatusMeasuring (status, intInfo, strMeasure, value); +}, "~S,~N,~S,~N"); +Clazz_defineMethod (c$, "notifyMinimizationStatus", +function () { +var step = this.getP ("_minimizationStep"); +var ff = this.getP ("_minimizationForceField"); +this.sm.notifyMinimizationStatus (this.getP ("_minimizationStatus"), Clazz_instanceOf (step, String) ? Integer.$valueOf (0) : step, this.getP ("_minimizationEnergy"), (step.toString ().equals ("0") ? Float.$valueOf (0) : this.getP ("_minimizationEnergyDiff")), ff); +}); +Clazz_defineMethod (c$, "setStatusAtomPicked", +function (atomIndex, info, map, andSelect) { +if (andSelect) this.setSelectionSet (JU.BSUtil.newAndSetBit (atomIndex)); +if (info == null) { +info = this.g.pickLabel; +info = (info.length == 0 ? this.getAtomInfoXYZ (atomIndex, this.g.messageStyleChime) : this.ms.getAtomInfo (atomIndex, info, this.ptTemp)); +}this.setPicked (atomIndex, false); +if (atomIndex < 0) { +var m = this.getPendingMeasurement (); +if (m != null) info = info.substring (0, info.length - 1) + ",\"" + m.getString () + "\"]"; +}this.g.setO ("_pickinfo", info); +this.sm.setStatusAtomPicked (atomIndex, info, map); +if (atomIndex < 0) return; +var syncMode = this.sm.getSyncMode (); +if (syncMode == 1 && this.doHaveJDX ()) this.getJSV ().atomPicked (atomIndex); +if (JV.Viewer.isJS) this.updateJSView (this.ms.at[atomIndex].mi, atomIndex); +}, "~N,~S,java.util.Map,~B"); +Clazz_overrideMethod (c$, "getProperty", +function (returnType, infoType, paramInfo) { +if (!"DATA_API".equals (returnType)) return this.getPropertyManager ().getProperty (returnType, infoType, paramInfo); +switch (("scriptCheck.........consoleText.........scriptEditor........scriptEditorState...getAppConsole.......getScriptEditor.....setMenu.............spaceGroupInfo......disablePopupMenu....defaultDirectory....getPopupMenu........shapeManager........getPreference.......").indexOf (infoType)) { +case 0: +return this.scriptCheckRet (paramInfo, true); +case 20: +return (this.appConsole == null ? "" : this.appConsole.getText ()); +case 40: +this.showEditor (paramInfo); +return null; +case 60: +this.scriptEditorVisible = (paramInfo).booleanValue (); +return null; +case 80: +if (this.$isKiosk) { +this.appConsole = null; +} else if (Clazz_instanceOf (paramInfo, J.api.JmolAppConsoleInterface)) { +this.appConsole = paramInfo; +} else if (paramInfo != null && !(paramInfo).booleanValue ()) { +this.appConsole = null; +} else if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { +if (JV.Viewer.isJS) { +this.appConsole = J.api.Interface.getOption ("consolejs.AppletConsole", this, "script"); +}{ +}if (this.appConsole != null) this.appConsole.start (this); +}this.scriptEditor = (JV.Viewer.isJS || this.appConsole == null ? null : this.appConsole.getScriptEditor ()); +return this.appConsole; +case 100: +if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { +this.getProperty ("DATA_API", "getAppConsole", Boolean.TRUE); +this.scriptEditor = (this.appConsole == null ? null : this.appConsole.getScriptEditor ()); +}return this.scriptEditor; +case 120: +if (this.jmolpopup != null) this.jmolpopup.jpiDispose (); +this.jmolpopup = null; +return this.menuStructure = paramInfo; +case 140: +return this.getSymTemp ().getSpaceGroupInfo (this.ms, null, -1, false, null); +case 160: +this.g.disablePopupMenu = true; +return null; +case 180: +return this.g.defaultDirectory; +case 200: +if (Clazz_instanceOf (paramInfo, String)) return this.getMenu (paramInfo); +return this.getPopupMenu (); +case 220: +return this.shm.getProperty (paramInfo); +case 240: +return this.sm.syncSend ("getPreference", paramInfo, 1); +} +JU.Logger.error ("ERROR in getProperty DATA_API: " + infoType); +return null; +}, "~S,~S,~O"); +Clazz_defineMethod (c$, "notifyMouseClicked", +function (x, y, action, mode) { +var modifiers = JV.binding.Binding.getButtonMods (action); +var clickCount = JV.binding.Binding.getClickCount (action); +this.g.setI ("_mouseX", x); +this.g.setI ("_mouseY", this.screenHeight - y); +this.g.setI ("_mouseAction", action); +this.g.setI ("_mouseModifiers", modifiers); +this.g.setI ("_clickCount", clickCount); +return this.sm.setStatusClicked (x, this.screenHeight - y, action, clickCount, mode); +}, "~N,~N,~N,~N"); +Clazz_defineMethod (c$, "getOutputManager", + function () { +if (this.outputManager != null) return this.outputManager; +return (this.outputManager = J.api.Interface.getInterface ("JV.OutputManager" + (JV.Viewer.isJS ? "JS" : "Awt"), this, "file")).setViewer (this, this.privateKey); +}); +Clazz_defineMethod (c$, "getJzt", +function () { +return (this.jzt == null ? this.jzt = J.api.Interface.getInterface ("JU.ZipTools", this, "zip") : this.jzt); +}); +Clazz_defineMethod (c$, "readFileAsMap", +function (bis, map, name) { +this.getJzt ().readFileAsMap (bis, map, name); +}, "java.io.BufferedInputStream,java.util.Map,~S"); +Clazz_defineMethod (c$, "getZipDirectoryAsString", +function (fileName) { +var t = this.fm.getBufferedInputStreamOrErrorMessageFromName (fileName, fileName, false, false, null, false, true); +return this.getJzt ().getZipDirectoryAsStringAndClose (t); +}, "~S"); +Clazz_overrideMethod (c$, "getImageAsBytes", +function (type, width, height, quality, errMsg) { +return this.getOutputManager ().getImageAsBytes (type, width, height, quality, errMsg); +}, "~S,~N,~N,~N,~A"); +Clazz_overrideMethod (c$, "releaseScreenImage", +function () { +this.gdata.releaseScreenImage (); +}); Clazz_defineMethod (c$, "setDisplay", function (canvas) { this.display = canvas; @@ -53786,7 +54736,7 @@ if (this.useCommandThread) this.scm.startCommandWatcher (true); }); Clazz_defineMethod (c$, "checkOption2", function (key1, key2) { -return (this.vwrOptions.containsKey (key1) || this.commandOptions.indexOf (key2) >= 0); +return (this.vwrOptions.containsKey (key1) && !this.vwrOptions.get (key1).toString ().equals ("false") || this.commandOptions.indexOf (key2) >= 0); }, "~S,~S"); Clazz_defineMethod (c$, "setStartupBooleans", function () { @@ -53865,11 +54815,6 @@ this.setBooleanProperty ("antialiasDisplay", (isPyMOL ? true : this.g.antialiasD this.stm.resetLighting (); this.tm.setDefaultPerspective (); }, "~B,~B"); -Clazz_defineMethod (c$, "setWidthHeightVar", -function () { -this.g.setI ("_width", this.screenWidth); -this.g.setI ("_height", this.screenHeight); -}); Clazz_defineMethod (c$, "saveModelOrientation", function () { this.ms.saveModelOrientation (this.am.cmi, this.stm.getOrientation ()); @@ -53899,19 +54844,9 @@ var pd = tm.perspectiveDepth; var width = tm.width; var height = tm.height; { -return { -center:center, -quaternion:q, -xtrans:xtrans, -ytrans:ytrans, -scale:scale, -zoom:zoom, -cameraDistance:cd, -pixelCount:pc, -perspective:pd, -width:width, -height:height -}; +return { center:center, quaternion:q, xtrans:xtrans, +ytrans:ytrans, scale:scale, zoom:zoom, cameraDistance:cd, +pixelCount:pc, perspective:pd, width:width, height:height }; }}); Clazz_defineMethod (c$, "setRotationRadius", function (angstroms, doAll) { @@ -54360,14 +55295,19 @@ var filter = this.g.defaultLoadFilter; if (filter.length > 0) htParams.put ("filter", filter); }var merging = (isAppend && !this.g.appendNew && this.ms.ac > 0); htParams.put ("baseAtomIndex", Integer.$valueOf (isAppend ? this.ms.ac : 0)); +htParams.put ("baseBondIndex", Integer.$valueOf (isAppend ? this.ms.bondCount : 0)); htParams.put ("baseModelIndex", Integer.$valueOf (this.ms.ac == 0 ? 0 : this.ms.mc + (merging ? -1 : 0))); if (merging) htParams.put ("merging", Boolean.TRUE); return htParams; }, "java.util.Map,~B"); Clazz_overrideMethod (c$, "openFileAsyncSpecial", function (fileName, flags) { -this.getScriptManager ().openFileAsync (fileName, flags); +this.getScriptManager ().openFileAsync (fileName, flags, false); }, "~S,~N"); +Clazz_defineMethod (c$, "openFileDropped", +function (fname, checkDims) { +this.getScriptManager ().openFileAsync (fname, 16, checkDims); +}, "~S,~B"); Clazz_overrideMethod (c$, "openFile", function (fileName) { this.zap (true, true, false); @@ -54530,7 +55470,7 @@ if (strModel == null) if (this.g.modelKitMode) strModel = "5\n\nC 0 0 0\nH .63 . if (loadScript != null) htParams.put ("loadScript", loadScript = new JU.SB ().append (JU.PT.rep (loadScript.toString (), "/*file*/$FILENAME$", "/*data*/data \"model inline\"\n" + strModel + "end \"model inline\""))); }if (strModel != null) { if (!isAppend) this.zap (true, false, false); -if (!isLoadVariable && (!haveFileData || isString)) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, this.g.defaultLoadFilter); +if (!isLoadVariable && (!haveFileData || isString)) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, htParams.get ("appendToModelIndex"), this.g.defaultLoadFilter); atomSetCollection = this.fm.createAtomSetCollectionFromString (strModel, htParams, isAppend); } else { atomSetCollection = this.fm.createAtomSetCollectionFromFile (fileName, htParams, isAppend); @@ -54636,7 +55576,7 @@ var loadScript = htParams.get ("loadScript"); var isLoadCommand = htParams.containsKey ("isData"); if (loadScript == null) loadScript = new JU.SB (); if (!isAppend) this.zap (true, false, false); -if (!isLoadCommand) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, this.g.defaultLoadFilter); +if (!isLoadCommand) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, htParams.get ("appendToModelIndex"), this.g.defaultLoadFilter); var atomSetCollection = this.fm.createAtomSetCollectionFromString (strModel, htParams, isAppend); return this.createModelSetAndReturnError (atomSetCollection, isAppend, loadScript, htParams); }, "~S,java.util.Map,~B"); @@ -54679,17 +55619,23 @@ var bsNew = new JU.BS (); this.mm.createModelSet (fullPathName, fileName, loadScript, atomSetCollection, bsNew, isAppend); if (bsNew.cardinality () > 0) { var jmolScript = this.ms.getInfoM ("jmolscript"); -if (this.ms.getMSInfoB ("doMinimize")) try { +if (this.ms.getMSInfoB ("doMinimize")) { +try { var eval = htParams.get ("eval"); -this.minimize (eval, 2147483647, 0, bsNew, null, 0, true, true, true, true); +var stereo = this.getAtomBitSet ("_C & connected(3) & !connected(double)"); +stereo.and (bsNew); +if (stereo.nextSetBit (0) >= 0) { +bsNew.or (this.addHydrogens (stereo, 21)); +}this.minimize (eval, 2147483647, 0, bsNew, null, 0, 29); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { } else { throw e; } } - else this.addHydrogens (bsNew, false, true); -if (jmolScript != null) this.ms.msInfo.put ("jmolscript", jmolScript); +} else { +this.addHydrogens (bsNew, 5); +}if (jmolScript != null) this.ms.msInfo.put ("jmolscript", jmolScript); }this.initializeModel (isAppend); } catch (er) { if (Clazz_exceptionOf (er, Error)) { @@ -54889,10 +55835,7 @@ this.setBooleanProperty ("legacyjavafloat", false); if (resetUndo) { if (zapModelKit) this.g.removeParam ("_pngjFile"); if (zapModelKit && this.g.modelKitMode) { -this.openStringInlineParamsAppend ("5\n\nC 0 0 0\nH .63 .63 .63\nH -.63 -.63 .63\nH -.63 .63 -.63\nH .63 -.63 -.63", null, true); -this.setRotationRadius (5.0, true); -this.setStringProperty ("picking", "assignAtom_C"); -this.setStringProperty ("picking", "assignBond_p"); +this.loadDefaultModelKitModel (null); }this.undoClear (); }System.gc (); }this.initializeModel (false); @@ -54900,6 +55843,13 @@ if (notify) { this.setFileLoadStatus (J.c.FIL.ZAPPED, null, (resetUndo ? "resetUndo" : this.getZapName ()), null, null, null); }if (JU.Logger.debugging) JU.Logger.checkMemory (); }, "~B,~B,~B"); +Clazz_defineMethod (c$, "loadDefaultModelKitModel", + function (htParams) { +this.openStringInlineParamsAppend (this.getModelkit (false).getDefaultModel (), htParams, true); +this.setRotationRadius (5.0, true); +this.setStringProperty ("picking", "assignAtom_C"); +this.setStringProperty ("picking", "assignBond_p"); +}, "java.util.Map"); Clazz_defineMethod (c$, "zapMsg", function (msg) { this.zap (true, true, false); @@ -54962,17 +55912,38 @@ var symmetry = this.getCurrentUnitCell (); return (symmetry == null ? NaN : symmetry.getUnitCellInfoType (infoType)); }, "~N"); Clazz_defineMethod (c$, "getV0abc", -function (def) { -var uc = this.getCurrentUnitCell (); +function (iModel, def) { +var uc = (iModel < 0 ? this.getCurrentUnitCell () : this.getUnitCell (iModel)); return (uc == null ? null : uc.getV0abc (def)); -}, "~O"); +}, "~N,~O"); +Clazz_defineMethod (c$, "getCurrentUnitCell", +function () { +var iAtom = this.am.getUnitCellAtomIndex (); +if (iAtom >= 0) return this.ms.getUnitCellForAtom (iAtom); +return this.getUnitCell (this.am.cmi); +}); +Clazz_defineMethod (c$, "getUnitCell", + function (m) { +if (m >= 0) return this.ms.getUnitCell (m); +var models = this.getVisibleFramesBitSet (); +var ucLast = null; +for (var i = models.nextSetBit (0); i >= 0; i = models.nextSetBit (i + 1)) { +var uc = this.ms.getUnitCell (i); +if (uc == null) continue; +if (ucLast == null) { +ucLast = uc; +continue; +}if (!ucLast.unitCellEquals (uc)) return null; +} +return ucLast; +}, "~N"); Clazz_defineMethod (c$, "getPolymerPointsAndVectors", function (bs, vList) { this.ms.getPolymerPointsAndVectors (bs, vList, this.g.traceAlpha, this.g.sheetSmoothing); }, "JU.BS,JU.Lst"); Clazz_defineMethod (c$, "getHybridizationAndAxes", function (atomIndex, z, x, lcaoType) { -return this.ms.getHybridizationAndAxes (atomIndex, 0, z, x, lcaoType, true, true); +return this.ms.getHybridizationAndAxes (atomIndex, 0, z, x, lcaoType, true, true, false); }, "~N,JU.V3,JU.V3,~S"); Clazz_defineMethod (c$, "getAllAtoms", function () { @@ -54999,14 +55970,6 @@ Clazz_overrideMethod (c$, "getBoundBoxCornerVector", function () { return this.ms.getBoundBoxCornerVector (); }); -Clazz_defineMethod (c$, "getBoundBoxCenterX", -function () { -return Clazz_doubleToInt (this.screenWidth / 2); -}); -Clazz_defineMethod (c$, "getBoundBoxCenterY", -function () { -return Clazz_doubleToInt (this.screenHeight / 2); -}); Clazz_overrideMethod (c$, "getModelSetProperties", function () { return this.ms.modelSetProperties; @@ -55015,6 +55978,10 @@ Clazz_overrideMethod (c$, "getModelProperties", function (modelIndex) { return this.ms.am[modelIndex].properties; }, "~N"); +Clazz_defineMethod (c$, "getModelForAtomIndex", +function (iatom) { +return this.ms.am[this.ms.at[iatom].mi]; +}, "~N"); Clazz_overrideMethod (c$, "getModelSetAuxiliaryInfo", function () { return this.ms.getAuxiliaryInfo (null); @@ -55049,7 +56016,7 @@ return !this.g.disablePopupMenu && this.getShowFrank () && this.shm.checkFrankcl }, "~N,~N"); Clazz_defineMethod (c$, "frankClickedModelKit", function (x, y) { -return !this.g.disablePopupMenu && this.g.modelKitMode && x >= 0 && y >= 0 && x < 40 && y < 80; +return !this.g.disablePopupMenu && this.g.modelKitMode && x >= 0 && y >= 0 && x < 40 && y < 104; }, "~N,~N"); Clazz_overrideMethod (c$, "findNearestAtomIndex", function (x, y) { @@ -55213,23 +56180,6 @@ function (bsFrom, bsTo, onlyIfHaveCalculated) { if (bsFrom == null) bsFrom = bsTo = this.bsA (); return this.ms.autoHbond (bsFrom, bsTo, onlyIfHaveCalculated); }, "JU.BS,JU.BS,~B"); -Clazz_defineMethod (c$, "getCurrentUnitCell", -function () { -if (this.am.cai >= 0) return this.ms.getUnitCellForAtom (this.am.cai); -var m = this.am.cmi; -if (m >= 0) return this.ms.getUnitCell (m); -var models = this.getVisibleFramesBitSet (); -var ucLast = null; -for (var i = models.nextSetBit (0); i >= 0; i = models.nextSetBit (i + 1)) { -var uc = this.ms.getUnitCell (i); -if (uc == null) continue; -if (ucLast == null) { -ucLast = uc; -continue; -}if (!ucLast.unitCellEquals (uc)) return null; -} -return ucLast; -}); Clazz_defineMethod (c$, "getDefaultMeasurementLabel", function (nPoints) { switch (nPoints) { @@ -55473,55 +56423,6 @@ var TF = this.axesAreTainted; this.axesAreTainted = false; return TF; }); -Clazz_defineMethod (c$, "setMaximumSize", - function (x) { -this.maximumSize = Math.max (x, 100); -}, "~N"); -Clazz_overrideMethod (c$, "setScreenDimension", -function (width, height) { -height = Math.min (height, this.maximumSize); -width = Math.min (width, this.maximumSize); -if (this.tm.stereoDoubleFull) width = Clazz_doubleToInt ((width + 1) / 2); -if (this.screenWidth == width && this.screenHeight == height) return; -this.resizeImage (width, height, false, false, true); -}, "~N,~N"); -Clazz_defineMethod (c$, "setStereo", -function (isStereoSlave, gRight) { -this.isStereoSlave = isStereoSlave; -this.gRight = gRight; -}, "~B,~O"); -Clazz_defineMethod (c$, "resizeImage", -function (width, height, isImageWrite, isExport, isReset) { -if (!isImageWrite && this.creatingImage) return; -var wasAntialiased = this.antialiased; -this.antialiased = (isReset ? this.g.antialiasDisplay && this.checkMotionRendering (603979786) : isImageWrite && !isExport ? this.g.antialiasImages : false); -if (!isExport && !isImageWrite && (width > 0 || wasAntialiased != this.antialiased)) this.setShapeProperty (5, "clearBoxes", null); -this.imageFontScaling = (this.antialiased ? 2 : 1) * (isReset || this.tm.scale3D || width <= 0 ? 1 : (this.g.zoomLarge == (height > width) ? height : width) * 1 / this.getScreenDim ()); -if (width > 0) { -this.screenWidth = width; -this.screenHeight = height; -if (!isImageWrite) { -this.g.setI ("_width", width); -this.g.setI ("_height", height); -}} else { -width = (this.screenWidth == 0 ? this.screenWidth = 500 : this.screenWidth); -height = (this.screenHeight == 0 ? this.screenHeight = 500 : this.screenHeight); -}this.tm.setScreenParameters (width, height, isImageWrite || isReset ? this.g.zoomLarge : false, this.antialiased, false, false); -this.gdata.setWindowParameters (width, height, this.antialiased); -if (width > 0 && !isImageWrite) this.setStatusResized (width, height); -}, "~N,~N,~B,~B,~B"); -Clazz_overrideMethod (c$, "getScreenWidth", -function () { -return this.screenWidth; -}); -Clazz_overrideMethod (c$, "getScreenHeight", -function () { -return this.screenHeight; -}); -Clazz_defineMethod (c$, "getScreenDim", -function () { -return (this.g.zoomLarge == (this.screenHeight > this.screenWidth) ? this.screenHeight : this.screenWidth); -}); Clazz_overrideMethod (c$, "generateOutputForExport", function (params) { return (this.noGraphicsAllowed || this.rm == null ? null : this.getOutputManager ().getOutputFromExport (params)); @@ -55530,6 +56431,10 @@ Clazz_defineMethod (c$, "clearRepaintManager", function (iShape) { if (this.rm != null) this.rm.clear (iShape); }, "~N"); +Clazz_defineMethod (c$, "renderScreenImage", +function (g, width, height) { +this.renderScreenImageStereo (g, false, width, height); +}, "~O,~N,~N"); Clazz_defineMethod (c$, "renderScreenImageStereo", function (gLeft, checkStereoSlave, width, height) { if (this.updateWindow (width, height)) { @@ -55539,6 +56444,7 @@ this.getScreenImageBuffer (gLeft, false); this.drawImage (this.gRight, this.getImage (true, false), 0, 0, this.tm.stereoDoubleDTI); this.drawImage (gLeft, this.getImage (false, false), 0, 0, this.tm.stereoDoubleDTI); }}if (this.captureParams != null && Boolean.FALSE !== this.captureParams.get ("captureEnabled")) { +this.captureParams.remove ("imagePixels"); var t = (this.captureParams.get ("endTime")).longValue (); if (t > 0 && System.currentTimeMillis () + 50 > t) this.captureParams.put ("captureMode", "end"); this.processWriteOrCapture (this.captureParams); @@ -55562,122 +56468,9 @@ if (this.html5Applet == null) return; var applet = this.html5Applet; var doViewPick = true; { -doViewPick = (applet._viewSet != null); +doViewPick = (applet != null && applet._viewSet != null); }if (doViewPick) this.html5Applet._atomPickedCallback (imodel, iatom); }, "~N,~N"); -Clazz_defineMethod (c$, "updateWindow", - function (width, height) { -if (!this.refreshing || this.creatingImage) return (this.refreshing ? false : !JV.Viewer.isJS); -if (this.isTainted || this.tm.slabEnabled) this.setModelVisibility (); -this.isTainted = false; -if (this.rm != null) { -if (width != 0) this.setScreenDimension (width, height); -}return true; -}, "~N,~N"); -Clazz_defineMethod (c$, "renderScreenImage", -function (g, width, height) { -this.renderScreenImageStereo (g, false, width, height); -}, "~O,~N,~N"); -Clazz_defineMethod (c$, "getImage", - function (isDouble, isImageWrite) { -var image = null; -try { -this.beginRendering (isDouble, isImageWrite); -this.render (); -this.gdata.endRendering (); -image = this.gdata.getScreenImage (isImageWrite); -} catch (e$$) { -if (Clazz_exceptionOf (e$$, Error)) { -var er = e$$; -{ -this.gdata.getScreenImage (isImageWrite); -this.handleError (er, false); -this.setErrorMessage ("Error during rendering: " + er, null); -} -} else if (Clazz_exceptionOf (e$$, Exception)) { -var e = e$$; -{ -System.out.println ("render error" + e); -if (!JV.Viewer.isJS) e.printStackTrace (); -} -} else { -throw e$$; -} -} -return image; -}, "~B,~B"); -Clazz_defineMethod (c$, "beginRendering", - function (isDouble, isImageWrite) { -this.gdata.beginRendering (this.tm.getStereoRotationMatrix (isDouble), this.g.translucent, isImageWrite, !this.checkMotionRendering (603979967)); -}, "~B,~B"); -Clazz_defineMethod (c$, "render", - function () { -if (this.mm.modelSet == null || !this.mustRender || !this.refreshing && !this.creatingImage || this.rm == null) return; -var antialias2 = this.antialiased && this.g.antialiasTranslucent; -var navMinMax = this.shm.finalizeAtoms (this.tm.bsSelectedAtoms, true); -if (JV.Viewer.isWebGL) { -this.rm.renderExport (this.gdata, this.ms, this.jsParams); -this.notifyViewerRepaintDone (); -return; -}this.rm.render (this.gdata, this.ms, true, navMinMax); -if (this.gdata.setPass2 (antialias2)) { -this.tm.setAntialias (antialias2); -this.rm.render (this.gdata, this.ms, false, null); -this.tm.setAntialias (this.antialiased); -}}); -Clazz_defineMethod (c$, "drawImage", - function (graphic, img, x, y, isDTI) { -if (graphic != null && img != null) { -this.apiPlatform.drawImage (graphic, img, x, y, this.screenWidth, this.screenHeight, isDTI); -}this.gdata.releaseScreenImage (); -}, "~O,~O,~N,~N,~B"); -Clazz_defineMethod (c$, "getScreenImage", -function () { -return this.getScreenImageBuffer (null, true); -}); -Clazz_overrideMethod (c$, "getScreenImageBuffer", -function (graphic, isImageWrite) { -if (JV.Viewer.isWebGL) return (isImageWrite ? this.apiPlatform.allocateRgbImage (0, 0, null, 0, false, true) : null); -var isDouble = this.tm.stereoDoubleFull || this.tm.stereoDoubleDTI; -var mergeImages = (graphic == null && isDouble); -var imageBuffer; -if (this.tm.stereoMode.isBiColor ()) { -this.beginRendering (true, isImageWrite); -this.render (); -this.gdata.endRendering (); -this.gdata.snapshotAnaglyphChannelBytes (); -this.beginRendering (false, isImageWrite); -this.render (); -this.gdata.endRendering (); -this.gdata.applyAnaglygh (this.tm.stereoMode, this.tm.stereoColors); -imageBuffer = this.gdata.getScreenImage (isImageWrite); -} else { -imageBuffer = this.getImage (isDouble, isImageWrite); -}var imageBuffer2 = null; -if (mergeImages) { -imageBuffer2 = this.apiPlatform.newBufferedImage (imageBuffer, (this.tm.stereoDoubleDTI ? this.screenWidth : this.screenWidth << 1), this.screenHeight); -graphic = this.apiPlatform.getGraphics (imageBuffer2); -}if (graphic != null) { -if (isDouble) { -if (this.tm.stereoMode === J.c.STER.DTI) { -this.drawImage (graphic, imageBuffer, this.screenWidth >> 1, 0, true); -imageBuffer = this.getImage (false, false); -this.drawImage (graphic, imageBuffer, 0, 0, true); -graphic = null; -} else { -this.drawImage (graphic, imageBuffer, this.screenWidth, 0, false); -imageBuffer = this.getImage (false, false); -}}if (graphic != null) this.drawImage (graphic, imageBuffer, 0, 0, false); -}return (mergeImages ? imageBuffer2 : imageBuffer); -}, "~O,~B"); -Clazz_overrideMethod (c$, "getImageAsBytes", -function (type, width, height, quality, errMsg) { -return this.getOutputManager ().getImageAsBytes (type, width, height, quality, errMsg); -}, "~S,~N,~N,~N,~A"); -Clazz_overrideMethod (c$, "releaseScreenImage", -function () { -this.gdata.releaseScreenImage (); -}); Clazz_overrideMethod (c$, "evalFile", function (strFilename) { return (this.allowScripting && this.getScriptManager () != null ? this.scm.evalFile (strFilename) : null); @@ -55735,15 +56528,6 @@ var ret = this.evalStringWaitStatusQueued (returnType, strScript, statusList, fa J.i18n.GT.setDoTranslate (doTranslateTemp); return ret; }, "~S,~S,~S"); -Clazz_defineMethod (c$, "evalStringWaitStatusQueued", -function (returnType, strScript, statusList, isQuiet, isQueued) { -{ -if (strScript.indexOf("JSCONSOLE") == 0) { -this.html5Applet._showInfo(strScript.indexOf("CLOSE")<0); if -(strScript.indexOf("CLEAR") >= 0) -this.html5Applet._clearConsole(); return null; } -}return (this.getScriptManager () == null ? null : this.scm.evalStringWaitStatusQueued (returnType, strScript, statusList, isQuiet, isQueued)); -}, "~S,~S,~S,~B,~B"); Clazz_defineMethod (c$, "exitJmol", function () { if (this.isApplet && !this.isJNLP) return; @@ -55766,7 +56550,7 @@ return (this.getScriptManager () == null ? null : this.scm.scriptCheckRet (strSc }, "~S,~B"); Clazz_overrideMethod (c$, "scriptCheck", function (strScript) { -return (this.getScriptManager () == null ? null : this.scriptCheckRet (strScript, false)); +return this.scriptCheckRet (strScript, false); }, "~S"); Clazz_overrideMethod (c$, "isScriptExecuting", function () { @@ -55786,8 +56570,7 @@ if (this.eval != null) this.eval.pauseExecution (true); }); Clazz_defineMethod (c$, "resolveDatabaseFormat", function (fileName) { -if (JV.Viewer.hasDatabasePrefix (fileName)) fileName = this.setLoadFormat (fileName, fileName.charAt (0), false); -return fileName; +return (JV.Viewer.hasDatabasePrefix (fileName) || fileName.indexOf ("cactus.nci.nih.gov/chemical/structure") >= 0 ? this.setLoadFormat (fileName, fileName.charAt (0), false) : fileName); }, "~S"); c$.hasDatabasePrefix = Clazz_defineMethod (c$, "hasDatabasePrefix", function (fileName) { @@ -55802,6 +56585,11 @@ function (name, type, withPrefix) { var format = null; var id = name.substring (1); switch (type) { +case 'c': +return name; +case 'h': +this.checkCIR (false); +return this.g.nihResolverFormat + name.substring (name.indexOf ("/structure") + 10); case '=': if (name.startsWith ("==")) { id = id.substring (1); @@ -55891,11 +56679,20 @@ if (fl.startsWith ("name:")) id = id.substring (5); id = "name/" + JU.PT.escapeUrl (id); }}return JU.PT.formatStringS (format, "FILE", id); case '$': -if (name.startsWith ("$$")) { +this.checkCIR (false); +if (name.equals ("$")) { +try { +id = this.getOpenSmiles (this.bsA ()); +} catch (e) { +if (Clazz_exceptionOf (e, Exception)) { +} else { +throw e; +} +} +} else if (name.startsWith ("$$")) { id = id.substring (1); -format = JU.PT.rep (this.g.smilesUrlFormat, "&get3d=True", ""); -return JU.PT.formatStringS (format, "FILE", JU.PT.escapeUrl (id)); -}if (name.equals ("$")) try { +if (id.length == 0) { +try { id = this.getOpenSmiles (this.bsA ()); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { @@ -55903,7 +56700,9 @@ if (Clazz_exceptionOf (e, Exception)) { throw e; } } -case 'M': +}format = JU.PT.rep (this.g.smilesUrlFormat, "get3d=true", "get3d=false"); +return JU.PT.formatStringS (format, "FILE", JU.PT.escapeUrl (id)); +}case 'M': case 'N': case '2': case 'I': @@ -55915,29 +56714,30 @@ id = JU.PT.escapeUrl (id); switch (type) { case 'M': case 'N': -format = this.g.nihResolverFormat + "/names"; +format = this.g.nihResolverFormat + "/%FILE/names"; break; case '2': -format = this.g.nihResolverFormat + "/image"; +format = this.g.nihResolverFormat + "/%FILE/image"; break; case 'I': case 'T': -format = this.g.nihResolverFormat + "/stdinchi"; +format = this.g.nihResolverFormat + "/%FILE/stdinchi"; break; case 'K': -format = this.g.nihResolverFormat + "/inchikey"; +format = this.g.nihResolverFormat + "/%FILE/inchikey"; break; case 'S': -format = this.g.nihResolverFormat + "/stdinchikey"; +format = this.g.nihResolverFormat + "/%FILE/stdinchikey"; break; case '/': -format = this.g.nihResolverFormat + "/"; +format = this.g.nihResolverFormat + "/%FILE/"; break; default: format = this.g.smilesUrlFormat; break; } return (withPrefix ? "MOL3D::" : "") + JU.PT.formatStringS (format, "FILE", id); +case '?': case '-': case '_': var isDiff = id.startsWith ("*") || id.startsWith ("="); @@ -55947,6 +56747,43 @@ pt = id.indexOf ("."); if (pt >= 0) { ciftype = id.substring (pt + 1); id = id.substring (0, pt); +}var checkXray = id.startsWith ("density"); +if (checkXray) id = "em" + id.substring (7); +if (id.equals ("emdb") || id.equals ("em")) id += "/"; +if (id.startsWith ("em/")) id = "emdb" + id.substring (2); +if (id.startsWith ("emdb/")) { +id = id.substring (5); +if (id.length == 0) id = "="; + else if (id.startsWith ("*")) id = "=" + id.substring (1); +var emdext = "#-sigma=10"; +if (id.startsWith ("=")) { +id = (id.equals ("=") ? this.getPdbID () : id.substring (1)); +if (id == null || type == '?') return id; +var q = JV.JC.resolveDataBase ("emdbquery", id, null); +var data = this.fm.cacheGet (q, false); +if (data == null) { +this.showString ("retrieving " + q, false); +data = this.getFileAsString (q); +if (data == null) { +this.showString ("EM retrieve failed for " + id, false); +if (!checkXray) return null; +data = "FAILED"; +} else { +this.showString (data, false); +}this.fm.cachePut (q, data); +}pt = data.indexOf ("EMD-"); +if (pt >= 0) { +id = data.substring (pt + 4); +pt = id.indexOf ('\n'); +if (pt > 0) id = id.substring (0, pt); +pt = id.indexOf (","); +if (pt > 0) { +emdext = "#-cutoff=" + id.substring (pt + 1); +id = id.substring (0, pt); +}} else { +if (!checkXray) return null; +emdext = null; +}}if (emdext != null) return JV.JC.resolveDataBase ("emdbmap" + (type == '-' ? "server" : ""), id, null) + emdext; }id = JV.JC.resolveDataBase ((isDiff ? "pdbemapdiff" : "pdbemap") + (type == '-' ? "server" : ""), id, null); if ("cif".equals (ciftype)) { id = id.$replace ("bcif", "cif"); @@ -55954,6 +56791,25 @@ id = id.$replace ("bcif", "cif"); } return id; }, "~S,~S,~B"); +Clazz_defineMethod (c$, "checkCIR", + function (forceCheck) { +if (this.cirChecked && !forceCheck) return; +try { +this.g.removeParam ("_cirStatus"); +var m = this.getModelSetAuxiliaryInfo (); +m.remove ("cirInfo"); +var map = this.parseJSONMap (this.getFileAsString (this.g.resolverResolver)); +m.put ("cirInfo", map); +this.ms.msInfo = m; +var s = map.get ("status"); +this.g.setO ("_cirStatus", s); +this.g.setCIR (map.get ("rfc6570Template")); +System.out.println ("Viewer.checkCIR _.cirInfo.status = " + s); +} catch (t) { +System.out.println ("Viewer.checkCIR failed at " + this.g.resolverResolver + ": " + t); +} +this.cirChecked = true; +}, "~B"); Clazz_defineMethod (c$, "getStandardLabelFormat", function (type) { switch (type) { @@ -55967,16 +56823,16 @@ return this.g.defaultLabelPDB; } }, "~N"); Clazz_defineMethod (c$, "getAdditionalHydrogens", -function (bsAtoms, doAll, justCarbon, vConnections) { +function (bsAtoms, vConnections, flags) { if (bsAtoms == null) bsAtoms = this.bsA (); var nTotal = Clazz_newIntArray (1, 0); -var pts = this.ms.calculateHydrogens (bsAtoms, nTotal, doAll, justCarbon, vConnections); +var pts = this.ms.calculateHydrogens (bsAtoms, nTotal, vConnections, flags); var points = new Array (nTotal[0]); for (var i = 0, pt = 0; i < pts.length; i++) if (pts[i] != null) for (var j = 0; j < pts[i].length; j++) points[pt++] = pts[i][j]; return points; -}, "JU.BS,~B,~B,JU.Lst"); +}, "JU.BS,JU.Lst,~N"); Clazz_overrideMethod (c$, "setMarBond", function (marBond) { this.g.bondRadiusMilliAngstroms = marBond; @@ -56142,201 +56998,6 @@ Clazz_defineMethod (c$, "menuEnabled", function () { return (!this.g.disablePopupMenu && this.getPopupMenu () != null); }); -Clazz_defineMethod (c$, "popupMenu", -function (x, y, type) { -if (!this.haveDisplay || !this.refreshing || this.isPreviewOnly || this.g.disablePopupMenu) return; -switch (type) { -case 'j': -try { -this.getPopupMenu (); -this.jmolpopup.jpiShow (x, y); -} catch (e) { -JU.Logger.info (e.toString ()); -this.g.disablePopupMenu = true; -} -break; -case 'a': -case 'b': -case 'm': -if (this.getModelkit (false) == null) { -return; -}this.modelkit.jpiShow (x, y); -break; -} -}, "~N,~N,~S"); -Clazz_defineMethod (c$, "setRotateBondIndex", -function (i) { -if (this.modelkit != null) this.modelkit.setProperty ("rotateBondIndex", Integer.$valueOf (i)); -}, "~N"); -Clazz_defineMethod (c$, "getMenu", -function (type) { -this.getPopupMenu (); -if (type.equals ("\0")) { -this.popupMenu (this.screenWidth - 120, 0, 'j'); -return "OK"; -}return (this.jmolpopup == null ? "" : this.jmolpopup.jpiGetMenuAsString ("Jmol version " + JV.Viewer.getJmolVersion () + "|_GET_MENU|" + type)); -}, "~S"); -Clazz_defineMethod (c$, "getPopupMenu", - function () { -if (this.g.disablePopupMenu) return null; -if (this.jmolpopup == null) { -this.jmolpopup = (this.allowScripting ? this.apiPlatform.getMenuPopup (this.menuStructure, 'j') : null); -if (this.jmolpopup == null && !this.async) { -this.g.disablePopupMenu = true; -return null; -}}return this.jmolpopup.jpiGetMenuAsObject (); -}); -Clazz_overrideMethod (c$, "setMenu", -function (fileOrText, isFile) { -if (isFile) JU.Logger.info ("Setting menu " + (fileOrText.length == 0 ? "to Jmol defaults" : "from file " + fileOrText)); -if (fileOrText.length == 0) fileOrText = null; - else if (isFile) fileOrText = this.getFileAsString3 (fileOrText, false, null); -this.getProperty ("DATA_API", "setMenu", fileOrText); -this.sm.setCallbackFunction ("menu", fileOrText); -}, "~S,~B"); -Clazz_defineMethod (c$, "setStatusFrameChanged", -function (isVib, doNotify) { -if (isVib) { -this.prevFrame = -2147483648; -}this.tm.setVibrationPeriod (NaN); -var firstIndex = this.am.firstFrameIndex; -var lastIndex = this.am.lastFrameIndex; -var isMovie = this.am.isMovie; -var modelIndex = this.am.cmi; -if (firstIndex == lastIndex && !isMovie) modelIndex = firstIndex; -var frameID = this.getModelFileNumber (modelIndex); -var currentFrame = this.am.cmi; -var fileNo = frameID; -var modelNo = frameID % 1000000; -var firstNo = (isMovie ? firstIndex : this.getModelFileNumber (firstIndex)); -var lastNo = (isMovie ? lastIndex : this.getModelFileNumber (lastIndex)); -var strModelNo; -if (isMovie) { -strModelNo = "" + (currentFrame + 1); -} else if (fileNo == 0) { -strModelNo = this.getModelNumberDotted (firstIndex); -if (firstIndex != lastIndex) strModelNo += " - " + this.getModelNumberDotted (lastIndex); -if (Clazz_doubleToInt (firstNo / 1000000) == Clazz_doubleToInt (lastNo / 1000000)) fileNo = firstNo; -} else { -strModelNo = this.getModelNumberDotted (modelIndex); -}if (fileNo != 0) fileNo = (fileNo < 1000000 ? 1 : Clazz_doubleToInt (fileNo / 1000000)); -if (!isMovie) { -this.g.setI ("_currentFileNumber", fileNo); -this.g.setI ("_currentModelNumberInFile", modelNo); -}var currentMorphModel = this.am.currentMorphModel; -this.g.setI ("_currentFrame", currentFrame); -this.g.setI ("_morphCount", this.am.morphCount); -this.g.setF ("_currentMorphFrame", currentMorphModel); -this.g.setI ("_frameID", frameID); -this.g.setI ("_modelIndex", modelIndex); -this.g.setO ("_modelNumber", strModelNo); -this.g.setO ("_modelName", (modelIndex < 0 ? "" : this.getModelName (modelIndex))); -var title = (modelIndex < 0 ? "" : this.ms.getModelTitle (modelIndex)); -this.g.setO ("_modelTitle", title == null ? "" : title); -this.g.setO ("_modelFile", (modelIndex < 0 ? "" : this.ms.getModelFileName (modelIndex))); -this.g.setO ("_modelType", (modelIndex < 0 ? "" : this.ms.getModelFileType (modelIndex))); -if (currentFrame == this.prevFrame && currentMorphModel == this.prevMorphModel) return; -this.prevFrame = currentFrame; -this.prevMorphModel = currentMorphModel; -var entryName = this.getModelName (currentFrame); -if (isMovie) { -entryName = "" + (entryName === "" ? currentFrame + 1 : this.am.caf + 1) + ": " + entryName; -} else { -var script = "" + this.getModelNumberDotted (currentFrame); -if (!entryName.equals (script)) entryName = script + ": " + entryName; -}this.sm.setStatusFrameChanged (fileNo, modelNo, (this.am.animationDirection < 0 ? -firstNo : firstNo), (this.am.currentDirection < 0 ? -lastNo : lastNo), currentFrame, currentMorphModel, entryName); -if (this.doHaveJDX ()) this.getJSV ().setModel (modelIndex); -if (JV.Viewer.isJS) this.updateJSView (modelIndex, -1); -}, "~B,~B"); -Clazz_defineMethod (c$, "doHaveJDX", - function () { -return (this.haveJDX || (this.haveJDX = this.getBooleanProperty ("_JSpecView".toLowerCase ()))); -}); -Clazz_defineMethod (c$, "getJSV", -function () { -if (this.jsv == null) { -this.jsv = J.api.Interface.getOption ("jsv.JSpecView", this, "script"); -this.jsv.setViewer (this); -}return this.jsv; -}); -Clazz_defineMethod (c$, "getJDXBaseModelIndex", -function (modelIndex) { -if (!this.doHaveJDX ()) return modelIndex; -return this.getJSV ().getBaseModelIndex (modelIndex); -}, "~N"); -Clazz_defineMethod (c$, "getJspecViewProperties", -function (myParam) { -var o = this.sm.getJspecViewProperties ("" + myParam); -if (o != null) this.haveJDX = true; -return o; -}, "~O"); -Clazz_defineMethod (c$, "scriptEcho", -function (strEcho) { -if (!JU.Logger.isActiveLevel (4)) return; -{ -System.out.println(strEcho); -}this.sm.setScriptEcho (strEcho, this.isScriptQueued ()); -if (this.listCommands && strEcho != null && strEcho.indexOf ("$[") == 0) JU.Logger.info (strEcho); -}, "~S"); -Clazz_defineMethod (c$, "isScriptQueued", - function () { -return this.scm != null && this.scm.isScriptQueued (); -}); -Clazz_defineMethod (c$, "notifyError", -function (errType, errMsg, errMsgUntranslated) { -this.g.setO ("_errormessage", errMsgUntranslated); -this.sm.notifyError (errType, errMsg, errMsgUntranslated); -}, "~S,~S,~S"); -Clazz_defineMethod (c$, "jsEval", -function (strEval) { -return "" + this.sm.jsEval (strEval); -}, "~S"); -Clazz_defineMethod (c$, "jsEvalSV", -function (strEval) { -return JS.SV.getVariable (JV.Viewer.isJS ? this.sm.jsEval (strEval) : this.jsEval (strEval)); -}, "~S"); -Clazz_defineMethod (c$, "setFileLoadStatus", - function (ptLoad, fullPathName, fileName, modelName, strError, isAsync) { -this.setErrorMessage (strError, null); -this.g.setI ("_loadPoint", ptLoad.getCode ()); -var doCallback = (ptLoad !== J.c.FIL.CREATING_MODELSET); -if (doCallback) this.setStatusFrameChanged (false, false); -this.sm.setFileLoadStatus (fullPathName, fileName, modelName, strError, ptLoad.getCode (), doCallback, isAsync); -if (doCallback) { -if (this.doHaveJDX ()) this.getJSV ().setModel (this.am.cmi); -if (JV.Viewer.isJS) this.updateJSView (this.am.cmi, -2); -}}, "J.c.FIL,~S,~S,~S,~S,Boolean"); -Clazz_defineMethod (c$, "getZapName", -function () { -return (this.g.modelKitMode ? "Jmol Model Kit" : "zapped"); -}); -Clazz_defineMethod (c$, "setStatusMeasuring", -function (status, intInfo, strMeasure, value) { -this.sm.setStatusMeasuring (status, intInfo, strMeasure, value); -}, "~S,~N,~S,~N"); -Clazz_defineMethod (c$, "notifyMinimizationStatus", -function () { -var step = this.getP ("_minimizationStep"); -var ff = this.getP ("_minimizationForceField"); -this.sm.notifyMinimizationStatus (this.getP ("_minimizationStatus"), Clazz_instanceOf (step, String) ? Integer.$valueOf (0) : step, this.getP ("_minimizationEnergy"), (step.toString ().equals ("0") ? Float.$valueOf (0) : this.getP ("_minimizationEnergyDiff")), ff); -}); -Clazz_defineMethod (c$, "setStatusAtomPicked", -function (atomIndex, info, map, andSelect) { -if (andSelect) this.setSelectionSet (JU.BSUtil.newAndSetBit (atomIndex)); -if (info == null) { -info = this.g.pickLabel; -info = (info.length == 0 ? this.getAtomInfoXYZ (atomIndex, this.g.messageStyleChime) : this.ms.getAtomInfo (atomIndex, info, this.ptTemp)); -}this.setPicked (atomIndex, false); -if (atomIndex < 0) { -var m = this.getPendingMeasurement (); -if (m != null) info = info.substring (0, info.length - 1) + ",\"" + m.getString () + "\"]"; -}this.g.setO ("_pickinfo", info); -this.sm.setStatusAtomPicked (atomIndex, info, map); -if (atomIndex < 0) return; -var syncMode = this.sm.getSyncMode (); -if (syncMode == 1 && this.doHaveJDX ()) this.getJSV ().atomPicked (atomIndex); -if (JV.Viewer.isJS) this.updateJSView (this.ms.at[atomIndex].mi, atomIndex); -}, "~N,~S,java.util.Map,~B"); Clazz_defineMethod (c$, "setStatusDragDropped", function (mode, x, y, fileName) { if (mode == 0) { @@ -56445,8 +57106,6 @@ return false; Clazz_overrideMethod (c$, "getInt", function (tok) { switch (tok) { -case 553648147: -return this.g.infoFontSize; case 553648132: return this.am.animationFps; case 553648141: @@ -56455,6 +57114,8 @@ case 553648142: return this.g.dotScale; case 553648144: return this.g.helixStep; +case 553648147: +return this.g.infoFontSize; case 553648150: return this.g.meshScale; case 553648153: @@ -56526,17 +57187,19 @@ case 603979811: return this.g.cartoonSteps; case 603979810: return this.g.cartoonBlocks; +case 603979821: +return this.g.checkCIR; case 603979812: return this.g.bondModeOr; -case 603979816: +case 603979815: return this.g.cartoonBaseEdges; -case 603979817: +case 603979816: return this.g.cartoonFancy; -case 603979818: +case 603979817: return this.g.cartoonLadders; -case 603979819: +case 603979818: return this.g.cartoonRibose; -case 603979820: +case 603979819: return this.g.cartoonRockets; case 603979822: return this.g.chainCaseSensitive || this.chainCaseSpecified; @@ -56644,8 +57307,8 @@ case 603979940: return this.g.slabByMolecule; case 603979944: return this.g.smartAromatic; -case 1612709912: -return this.g.solventOn; +case 603979948: +return this.g.dotSolvent; case 603979952: return this.g.ssbondsBackbone; case 603979955: @@ -56703,20 +57366,22 @@ case 570425346: return this.g.axesScale; case 570425348: return this.g.bondTolerance; -case 570425354: +case 570425353: return this.g.defaultTranslucent; case 570425352: return this.g.defaultDrawArrowScale; -case 570425355: +case 570425354: return this.g.dipoleScale; -case 570425356: +case 570425355: return this.g.drawFontSize; -case 570425358: +case 570425357: return this.g.exportScale; -case 570425360: +case 570425359: return this.g.hbondsAngleMinimum; case 570425361: -return this.g.hbondsDistanceMaximum; +return this.g.hbondHXDistanceMaximum; +case 570425360: +return this.g.hbondNODistanceMaximum; case 570425363: return this.g.loadAtomDataTolerance; case 570425364: @@ -56802,7 +57467,7 @@ case 545259558: this.setUnits (value, false); return; case 545259560: -this.g.forceField = value = ("UFF".equalsIgnoreCase (value) ? "UFF" : "MMFF"); +this.g.forceField = value = ("UFF".equalsIgnoreCase (value) ? "UFF" : "UFF2D".equalsIgnoreCase (value) ? "UFF2D" : "MMFF2D".equalsIgnoreCase (value) ? "MMFF2D" : "MMFF"); this.minimizer = null; break; case 545259571: @@ -56969,10 +57634,10 @@ break; case 570425381: this.g.particleRadius = Math.abs (value); break; -case 570425356: +case 570425355: this.g.drawFontSize = value; break; -case 570425358: +case 570425357: this.g.exportScale = value; break; case 570425403: @@ -56990,7 +57655,7 @@ break; case 570425365: this.g.minimizationCriterion = value; break; -case 570425359: +case 570425358: if (this.haveDisplay) this.acm.setGestureSwipeFactor (value); break; case 570425367: @@ -57021,11 +57686,14 @@ break; case 570425363: this.g.loadAtomDataTolerance = value; break; -case 570425360: +case 570425359: this.g.hbondsAngleMinimum = value; break; case 570425361: -this.g.hbondsDistanceMaximum = value; +this.g.hbondHXDistanceMaximum = value; +break; +case 570425360: +this.g.hbondNODistanceMaximum = value; break; case 570425382: this.g.pointGroupDistanceTolerance = value; @@ -57033,7 +57701,7 @@ break; case 570425384: this.g.pointGroupLinearTolerance = value; break; -case 570425357: +case 570425356: this.g.ellipsoidAxisDiameter = value; break; case 570425398: @@ -57051,7 +57719,7 @@ break; case 570425352: this.g.defaultDrawArrowScale = value; break; -case 570425354: +case 570425353: this.g.defaultTranslucent = value; break; case 570425345: @@ -57086,7 +57754,7 @@ break; case 570425392: this.g.sheetSmoothing = value; break; -case 570425355: +case 570425354: value = JV.Viewer.checkFloatRange (value, -10, 10); this.g.dipoleScale = value; break; @@ -57337,6 +58005,11 @@ Clazz_defineMethod (c$, "setBooleanPropertyTok", function (key, tok, value) { var doRepaint = true; switch (tok) { +case 603979821: +this.g.checkCIR = value; +if (value) { +this.checkCIR (true); +}break; case 603979823: this.g.cipRule6Full = value; break; @@ -57383,7 +58056,7 @@ break; case 603979811: this.g.cartoonSteps = value; break; -case 603979819: +case 603979818: this.g.cartoonRibose = value; break; case 603979837: @@ -57392,7 +58065,7 @@ break; case 603979967: this.g.translucent = value; break; -case 603979818: +case 603979817: this.g.cartoonLadders = value; break; case 603979968: @@ -57400,10 +58073,10 @@ var b = this.g.twistedSheets; this.g.twistedSheets = value; if (b != value) this.checkCoordinatesChanged (); break; -case 603979821: +case 603979820: this.gdata.setCel (value); break; -case 603979817: +case 603979816: this.g.cartoonFancy = value; break; case 603979934: @@ -57592,10 +58265,10 @@ this.setFrankOn (value); break; case 1612709912: key = "solventProbe"; -this.g.solventOn = value; +this.g.dotSolvent = value; break; case 603979948: -this.g.solventOn = value; +this.g.dotSolvent = value; break; case 603979785: this.g.allowRotateSelected = value; @@ -57723,10 +58396,10 @@ break; case 603979901: this.g.ribbonBorder = value; break; -case 603979816: +case 603979815: this.g.cartoonBaseEdges = value; break; -case 603979820: +case 603979819: this.g.cartoonRockets = value; break; case 603979902: @@ -57826,22 +58499,29 @@ this.setPickingMode (null, value ? 33 : 1); this.setPickingMode (null, value ? 32 : 1); }var isChange = (this.g.modelKitMode != value); this.g.modelKitMode = value; +this.g.setB ("modelkitmode", value); this.highlight (null); if (value) { +var kit = this.getModelkit (false); this.setNavigationMode (false); this.selectAll (); -this.getModelkit (false).setProperty ("atomType", "C"); -this.getModelkit (false).setProperty ("bondType", "p"); -if (!this.isApplet) this.popupMenu (0, 0, 'm'); -if (isChange) this.sm.setCallbackFunction ("modelkit", "ON"); +kit.setProperty ("atomType", "C"); +kit.setProperty ("bondType", "p"); +if (!this.isApplet) this.popupMenu (10, 0, 'm'); +if (isChange) this.sm.setStatusModelKit (1); this.g.modelKitMode = true; if (this.ms.ac == 0) this.zap (false, true, true); -} else { + else if (this.am.cmi >= 0 && this.getModelUndeletedAtomsBitSet (this.am.cmi).isEmpty ()) { +var htParams = new java.util.Hashtable (); +htParams.put ("appendToModelIndex", Integer.$valueOf (this.am.cmi)); +this.loadDefaultModelKitModel (htParams); +}} else { this.acm.setPickingMode (-1); this.setStringProperty ("pickingStyle", "toggle"); this.setBooleanProperty ("bondPicking", false); -if (isChange) this.sm.setCallbackFunction ("modelkit", "OFF"); -}}, "~B"); +if (isChange) { +this.sm.setStatusModelKit (0); +}}}, "~B"); Clazz_defineMethod (c$, "setSmilesString", function (s) { if (s == null) this.g.removeParam ("_smilesString"); @@ -57888,10 +58568,6 @@ function () { if (!this.g.navigationMode) return false; return (this.tm.isNavigating () && !this.g.hideNavigationPoint || this.g.showNavigationPointAlways || this.getInMotion (true)); }); -Clazz_defineMethod (c$, "getCurrentSolventProbeRadius", -function () { -return this.g.solventOn ? this.g.solventProbeRadius : 0; -}); Clazz_overrideMethod (c$, "setPerspectiveDepth", function (perspectiveDepth) { this.tm.setPerspectiveDepth (perspectiveDepth); @@ -58162,61 +58838,6 @@ Clazz_defineMethod (c$, "getModelFileInfoAll", function () { return this.getPropertyManager ().getModelFileInfo (null); }); -Clazz_overrideMethod (c$, "getProperty", -function (returnType, infoType, paramInfo) { -if (!"DATA_API".equals (returnType)) return this.getPropertyManager ().getProperty (returnType, infoType, paramInfo); -switch (("scriptCheck.........consoleText.........scriptEditor........scriptEditorState...getAppConsole.......getScriptEditor.....setMenu.............spaceGroupInfo......disablePopupMenu....defaultDirectory....getPopupMenu........shapeManager........getPreference.......").indexOf (infoType)) { -case 0: -return this.scriptCheckRet (paramInfo, true); -case 20: -return (this.appConsole == null ? "" : this.appConsole.getText ()); -case 40: -this.showEditor (paramInfo); -return null; -case 60: -this.scriptEditorVisible = (paramInfo).booleanValue (); -return null; -case 80: -if (this.$isKiosk) { -this.appConsole = null; -} else if (Clazz_instanceOf (paramInfo, J.api.JmolAppConsoleInterface)) { -this.appConsole = paramInfo; -} else if (paramInfo != null && !(paramInfo).booleanValue ()) { -this.appConsole = null; -} else if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { -if (JV.Viewer.isJS) { -this.appConsole = J.api.Interface.getOption ("consolejs.AppletConsole", this, "script"); -}{ -}if (this.appConsole != null) this.appConsole.start (this); -}this.scriptEditor = (JV.Viewer.isJS || this.appConsole == null ? null : this.appConsole.getScriptEditor ()); -return this.appConsole; -case 100: -if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { -this.getProperty ("DATA_API", "getAppConsole", Boolean.TRUE); -this.scriptEditor = (this.appConsole == null ? null : this.appConsole.getScriptEditor ()); -}return this.scriptEditor; -case 120: -if (this.jmolpopup != null) this.jmolpopup.jpiDispose (); -this.jmolpopup = null; -return this.menuStructure = paramInfo; -case 140: -return this.getSymTemp ().getSpaceGroupInfo (this.ms, null, -1, false, null); -case 160: -this.g.disablePopupMenu = true; -return null; -case 180: -return this.g.defaultDirectory; -case 200: -if (Clazz_instanceOf (paramInfo, String)) return this.getMenu (paramInfo); -return this.getPopupMenu (); -case 220: -return this.shm.getProperty (paramInfo); -case 240: -return this.sm.syncSend ("getPreference", paramInfo, 1); -} -JU.Logger.error ("ERROR in getProperty DATA_API: " + infoType); -return null; -}, "~S,~S,~O"); Clazz_defineMethod (c$, "showEditor", function (file_text) { var scriptEditor = this.getProperty ("DATA_API", "getScriptEditor", Boolean.TRUE); @@ -58232,17 +58853,6 @@ Clazz_defineMethod (c$, "setTainted", function (TF) { this.isTainted = this.axesAreTainted = (TF && (this.refreshing || this.creatingImage)); }, "~B"); -Clazz_defineMethod (c$, "notifyMouseClicked", -function (x, y, action, mode) { -var modifiers = JV.binding.Binding.getButtonMods (action); -var clickCount = JV.binding.Binding.getClickCount (action); -this.g.setI ("_mouseX", x); -this.g.setI ("_mouseY", this.screenHeight - y); -this.g.setI ("_mouseAction", action); -this.g.setI ("_mouseModifiers", modifiers); -this.g.setI ("_clickCount", clickCount); -return this.sm.setStatusClicked (x, this.screenHeight - y, action, clickCount, mode); -}, "~N,~N,~N,~N"); Clazz_defineMethod (c$, "checkObjectClicked", function (x, y, modifiers) { return this.shm.checkObjectClicked (x, y, modifiers, this.getVisibleFramesBitSet (), this.g.drawPicking); @@ -58591,8 +59201,7 @@ var pt = molFile.indexOf ("\n"); if (pt < 0) return null; molFile = "Jmol " + JV.Viewer.version_date + molFile.substring (pt); if (this.isApplet) { -{ -}this.showUrl (this.g.nmrUrlFormat + molFile); +this.showUrl (this.g.nmrUrlFormat + molFile); return "opening " + this.g.nmrUrlFormat; }}this.syncScript ("true", "*", 0); this.syncScript (type + "Simulate:", ".", 0); @@ -58729,11 +59338,6 @@ Clazz_overrideMethod (c$, "outputToFile", function (params) { return this.getOutputManager ().outputToFile (params); }, "java.util.Map"); -Clazz_defineMethod (c$, "getOutputManager", - function () { -if (this.outputManager != null) return this.outputManager; -return (this.outputManager = J.api.Interface.getInterface ("JV.OutputManager" + (JV.Viewer.isJS ? "JS" : "Awt"), this, "file")).setViewer (this, this.privateKey); -}); Clazz_defineMethod (c$, "setSyncTarget", function (mode, TF) { switch (mode) { @@ -58837,25 +59441,32 @@ function (bsAtoms, fullModels) { var atomIndex = (bsAtoms == null ? -1 : bsAtoms.nextSetBit (0)); if (atomIndex < 0) return 0; this.clearModelDependentObjects (); +var a = this.ms.at[atomIndex]; +if (a == null) return 0; +var mi = a.mi; if (!fullModels) { -this.sm.modifySend (atomIndex, this.ms.at[atomIndex].mi, 4, "deleting atom " + this.ms.at[atomIndex].getAtomName ()); +this.sm.modifySend (atomIndex, a.mi, 4, "deleting atom " + a.getAtomName ()); this.ms.deleteAtoms (bsAtoms); var n = this.slm.deleteAtoms (bsAtoms); this.setTainted (true); -this.sm.modifySend (atomIndex, this.ms.at[atomIndex].mi, -4, "OK"); +this.sm.modifySend (atomIndex, mi, -4, "OK"); return n; -}return this.deleteModels (this.ms.at[atomIndex].mi, bsAtoms); +}return this.deleteModels (mi, bsAtoms); }, "JU.BS,~B"); Clazz_defineMethod (c$, "deleteModels", function (modelIndex, bsAtoms) { this.clearModelDependentObjects (); this.sm.modifySend (-1, modelIndex, 5, "deleting model " + this.getModelNumberDotted (modelIndex)); +var currentModel = this.am.cmi; this.setCurrentModelIndexClear (0, false); this.am.setAnimationOn (false); var bsD0 = JU.BSUtil.copy (this.slm.bsDeleted); var bsModels = (bsAtoms == null ? JU.BSUtil.newAndSetBit (modelIndex) : this.ms.getModelBS (bsAtoms, false)); var bsDeleted = this.ms.deleteModels (bsModels); -this.slm.processDeletedModelAtoms (bsDeleted); +if (bsDeleted == null) { +this.setCurrentModelIndexClear (currentModel, false); +return 0; +}this.slm.processDeletedModelAtoms (bsDeleted); if (this.eval != null) this.eval.deleteAtomsInVariables (bsDeleted); this.setAnimationRange (0, 0); this.clearRepaintManager (-1); @@ -58888,7 +59499,8 @@ function () { return this.g.quaternionFrame.charAt (this.g.quaternionFrame.length == 2 ? 1 : 0); }); Clazz_defineMethod (c$, "loadImageData", -function (image, nameOrError, echoName, sc) { +function (image, nameOrError, echoName, sco) { +var sc = sco; if (image == null && nameOrError != null) this.scriptEcho (nameOrError); if (echoName == null) { this.setBackgroundImage ((image == null ? null : nameOrError), image); @@ -58905,7 +59517,7 @@ if (image != null) this.setShapeProperty (31, "image", image); sc.mustResumeEval = true; this.eval.resumeEval (sc); }return false; -}, "~O,~S,~S,JS.ScriptContext"); +}, "~O,~S,~S,~O"); Clazz_defineMethod (c$, "cd", function (dir) { if (dir == null) { @@ -58955,7 +59567,6 @@ this.setCursor (0); this.setBooleanProperty ("refreshing", true); this.fm.setPathForAllFiles (""); JU.Logger.error ("vwr handling error condition: " + er + " "); -if (!JV.Viewer.isJS) er.printStackTrace (); this.notifyError ("Error", "doClear=" + doClear + "; " + er, "" + er); } catch (e1) { try { @@ -58983,7 +59594,7 @@ var $function = (JV.Viewer.isStaticFunction (name) ? JV.Viewer.staticFunctions : return ($function == null || $function.geTokens () == null ? null : $function); }, "~S"); c$.isStaticFunction = Clazz_defineMethod (c$, "isStaticFunction", - function (name) { +function (name) { return name.startsWith ("static_"); }, "~S"); Clazz_defineMethod (c$, "isFunction", @@ -59054,7 +59665,7 @@ Clazz_defineMethod (c$, "checkMinimization", this.refreshMeasures (true); if (!this.g.monitorEnergy) return; try { -this.minimize (null, 0, 0, this.getAllAtoms (), null, 0, false, false, true, false); +this.minimize (null, 0, 0, this.getAllAtoms (), null, 0, 1); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { } else { @@ -59064,31 +59675,59 @@ throw e; this.echoMessage (this.getP ("_minimizationForceField") + " Energy = " + this.getP ("_minimizationEnergy")); }); Clazz_defineMethod (c$, "minimize", -function (eval, steps, crit, bsSelected, bsFixed, rangeFixed, addHydrogen, isOnly, isSilent, isLoad2D) { +function (eval, steps, crit, bsSelected, bsFixed, rangeFixed, flags) { +var isSilent = (flags & 1) == 1; +var isQuick = (flags & 4) == 4; +var hasRange = (flags & 16) == 0; +var addHydrogen = (flags & 8) == 8; var ff = this.g.forceField; var bsInFrame = this.getFrameAtoms (); -if (bsSelected == null) bsSelected = this.getModelUndeletedAtomsBitSet (this.getVisibleFramesBitSet ().length () - 1); - else bsSelected.and (bsInFrame); -if (rangeFixed <= 0) rangeFixed = 5.0; +if (bsSelected == null) bsSelected = this.getModelUndeletedAtomsBitSet (this.getVisibleFramesBitSet ().nextSetBit (0)); + else if (!isQuick) bsSelected.and (bsInFrame); +if (isQuick) { +this.getAuxiliaryInfoForAtoms (bsSelected).put ("dimension", "3D"); +bsInFrame = bsSelected; +}if (rangeFixed <= 0) rangeFixed = 5.0; var bsMotionFixed = JU.BSUtil.copy (bsFixed == null ? this.slm.getMotionFixedAtoms () : bsFixed); var haveFixed = (bsMotionFixed.cardinality () > 0); if (haveFixed) bsSelected.andNot (bsMotionFixed); -var bsNearby = (isOnly ? new JU.BS () : this.ms.getAtomsWithinRadius (rangeFixed, bsSelected, true, null)); +var bsNearby = (hasRange ? new JU.BS () : this.ms.getAtomsWithinRadius (rangeFixed, bsSelected, true, null)); bsNearby.andNot (bsSelected); if (haveFixed) { bsMotionFixed.and (bsNearby); } else { bsMotionFixed = bsNearby; }bsMotionFixed.and (bsInFrame); -if (addHydrogen) bsSelected.or (this.addHydrogens (bsSelected, isLoad2D, isSilent)); -var n = bsSelected.cardinality (); +flags |= ((haveFixed ? 2 : 0) | (this.getBooleanProperty ("minimizationSilent") ? 1 : 0)); +if (isQuick && this.getBoolean (603979962)) return; +if (isQuick) { +{ +try { +if (!isSilent) JU.Logger.info ("Minimizing " + bsSelected.cardinality () + " atoms"); +this.getMinimizer (true).minimize (steps, crit, bsSelected, bsMotionFixed, flags, "UFF"); +} catch (e) { +if (Clazz_exceptionOf (e, Exception)) { +JU.Logger.error ("Minimization error: " + e.toString ()); +e.printStackTrace (); +} else { +throw e; +} +} +}}if (addHydrogen) { +var bsH = this.addHydrogens (bsSelected, flags); +if (!isQuick) bsSelected.or (bsH); +}var n = bsSelected.cardinality (); if (ff.equals ("MMFF") && n > this.g.minimizationMaxAtoms) { this.scriptStatusMsg ("Too many atoms for minimization (" + n + ">" + this.g.minimizationMaxAtoms + "); use 'set minimizationMaxAtoms' to increase this limit", "minimization: too many atoms"); return; }try { if (!isSilent) JU.Logger.info ("Minimizing " + bsSelected.cardinality () + " atoms"); -this.getMinimizer (true).minimize (steps, crit, bsSelected, bsMotionFixed, haveFixed, isSilent, ff); -} catch (e$$) { +this.getMinimizer (true).minimize (steps, crit, bsSelected, bsMotionFixed, flags, (isQuick ? "MMFF" : ff)); +if (isQuick) { +this.g.forceField = "MMFF"; +this.setHydrogens (bsSelected); +this.showString ("Minimized by Jmol", false); +}} catch (e$$) { if (Clazz_exceptionOf (e$$, JV.JmolAsyncException)) { var e = e$$; { @@ -59098,13 +59737,31 @@ if (eval != null) eval.loadFileResourceAsync (e.getFileName ()); var e = e$$; { JU.Logger.error ("Minimization error: " + e.toString ()); -if (!JV.Viewer.isJS) e.printStackTrace (); +e.printStackTrace (); } } else { throw e$$; } } -}, "J.api.JmolScriptEvaluator,~N,~N,JU.BS,JU.BS,~N,~B,~B,~B,~B"); +}, "J.api.JmolScriptEvaluator,~N,~N,JU.BS,JU.BS,~N,~N"); +Clazz_defineMethod (c$, "setHydrogens", + function (bsAtoms) { +var nTotal = Clazz_newIntArray (1, 0); +var hatoms = this.ms.calculateHydrogens (bsAtoms, nTotal, null, 2052); +for (var i = bsAtoms.nextSetBit (0); i >= 0; i = bsAtoms.nextSetBit (i + 1)) { +var pts = hatoms[i]; +if (pts == null || pts.length == 0) continue; +var a = this.ms.at[i]; +var b = a.bonds; +for (var j = 0, pt = 0, n = a.getBondCount (); j < n; j++) { +var h = b[j].getOtherAtom (a); +if (h.getAtomicAndIsotopeNumber () == 1) { +var p = pts[pt++]; +this.ms.setAtomCoord (h.i, p.x, p.y, p.z); +}} +} +this.ms.resetMolecules (); +}, "JU.BS"); Clazz_defineMethod (c$, "setMotionFixedAtoms", function (bs) { this.slm.setMotionFixedAtoms (bs); @@ -59206,8 +59863,7 @@ this.setShapeProperty (6, "delete", Integer.$valueOf (i)); }, "~N"); Clazz_overrideMethod (c$, "getSmiles", function (bs) { -var is2D = ("2D".equals (this.ms.getInfoM ("dimension"))); -return this.getSmilesOpt (bs, -1, -1, (bs == null && JU.Logger.debugging ? 131072 : 0) | (is2D ? 32 : 0), null); +return this.getSmilesOpt (bs, -1, -1, (bs == null && JU.Logger.debugging ? 131072 : 0), null); }, "JU.BS"); Clazz_overrideMethod (c$, "getOpenSmiles", function (bs) { @@ -59234,12 +59890,18 @@ index2 = i; index2 = atoms[index2].group.lastAtomIndex; }bsSelected = new JU.BS (); bsSelected.setBits (index1, index2 + 1); -}}var sm = this.getSmilesMatcher (); +}}flags |= (this.isModel2D (bsSelected) ? 134217728 : 0); +var sm = this.getSmilesMatcher (); if (JV.JC.isSmilesCanonical (options)) { var smiles = sm.getSmiles (atoms, this.ms.ac, bsSelected, "/noAromatic/", flags); return this.getChemicalInfo (smiles, "smiles", null).trim (); }return sm.getSmiles (atoms, this.ms.ac, bsSelected, bioComment, flags); }, "JU.BS,~N,~N,~N,~S"); +Clazz_defineMethod (c$, "isModel2D", + function (bs) { +var m = this.getModelForAtomIndex (bs.nextSetBit (0)); +return (m != null && "2D".equals (m.auxiliaryInfo.get ("dimension"))); +}, "JU.BS"); Clazz_defineMethod (c$, "alert", function (msg) { this.prompt (msg, null, null, true); @@ -59317,7 +59979,7 @@ if (p.tok != 10 || !(p.value).get (atomIndex)) pickedList.pushPop (null, JS.SV.n }, "~N,~B"); Clazz_overrideMethod (c$, "runScript", function (script) { -return "" + this.evaluateExpression ( Clazz_newArray (-1, [ Clazz_newArray (-1, [JS.T.t (134222850), JS.T.t (268435472), JS.SV.newS (script), JS.T.t (268435473)])])); +return "" + this.evaluateExpression ( Clazz_newArray (-1, [ Clazz_newArray (-1, [JS.T.tokenScript, JS.T.tokenLeftParen, JS.SV.newS (script), JS.T.tokenRightParen])])); }, "~S"); Clazz_overrideMethod (c$, "runScriptCautiously", function (script) { @@ -59380,7 +60042,7 @@ return this.ms.getPartialCharges (); }, "JU.BS,JU.BS"); Clazz_defineMethod (c$, "calculatePartialCharges", function (bsSelected) { -if (bsSelected == null || bsSelected.isEmpty ()) bsSelected = this.getModelUndeletedAtomsBitSetBs (this.getVisibleFramesBitSet ()); +if (bsSelected == null || bsSelected.isEmpty ()) bsSelected = this.getFrameAtoms (); if (bsSelected.isEmpty ()) return; JU.Logger.info ("Calculating MMFF94 partial charges for " + bsSelected.cardinality () + " atoms"); this.getMinimizer (true).calculatePartialCharges (this.ms, bsSelected, null); @@ -59418,7 +60080,7 @@ this.setAnimationOn (false); }); Clazz_defineMethod (c$, "getEvalContextAndHoldQueue", function (eval) { -if (eval == null || !JV.Viewer.isJS && !this.testAsync) return null; +if (eval == null || !(JV.Viewer.isJS || this.testAsync)) return null; eval.pushContextDown ("getEvalContextAndHoldQueue"); var sc = eval.getThisContext (); sc.setMustResume (); @@ -59426,12 +60088,6 @@ sc.isJSThread = true; this.queueOnHold = true; return sc; }, "J.api.JmolScriptEvaluator"); -Clazz_overrideMethod (c$, "resizeInnerPanel", -function (width, height) { -if (!this.autoExit && this.haveDisplay) return this.sm.resizeInnerPanel (width, height); -this.setScreenDimension (width, height); -return Clazz_newIntArray (-1, [this.screenWidth, this.screenHeight]); -}, "~N,~N"); Clazz_defineMethod (c$, "getDefaultPropertyParam", function (propertyID) { return this.getPropertyManager ().getDefaultPropertyParam (propertyID); @@ -59449,21 +60105,21 @@ function (property, args, pt) { return this.getPropertyManager ().extractProperty (property, args, pt, null, false); }, "~O,~O,~N"); Clazz_defineMethod (c$, "addHydrogens", -function (bsAtoms, is2DLoad, isSilent) { +function (bsAtoms, flags) { +var isSilent = ((flags & 1) == 1); +var isQuick = ((flags & 4) == 4); var doAll = (bsAtoms == null); if (bsAtoms == null) bsAtoms = this.getModelUndeletedAtomsBitSet (this.getVisibleFramesBitSet ().length () - 1); var bsB = new JU.BS (); if (bsAtoms.isEmpty ()) return bsB; -var modelIndex = this.ms.at[bsAtoms.nextSetBit (0)].mi; -if (modelIndex != this.ms.mc - 1) return bsB; var vConnections = new JU.Lst (); -var pts = this.getAdditionalHydrogens (bsAtoms, doAll, false, vConnections); +var pts = this.getAdditionalHydrogens (bsAtoms, vConnections, flags | (doAll ? 256 : 0)); var wasAppendNew = false; wasAppendNew = this.g.appendNew; if (pts.length > 0) { this.clearModelDependentObjects (); try { -bsB = (is2DLoad ? this.ms.addHydrogens (vConnections, pts) : this.addHydrogensInline (bsAtoms, vConnections, pts)); +bsB = (isQuick ? this.ms.addHydrogens (vConnections, pts) : this.addHydrogensInline (bsAtoms, vConnections, pts)); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { System.out.println (e.toString ()); @@ -59474,7 +60130,7 @@ throw e; if (wasAppendNew) this.g.appendNew = true; }if (!isSilent) this.scriptStatus (J.i18n.GT.i (J.i18n.GT.$ ("{0} hydrogens added"), pts.length)); return bsB; -}, "JU.BS,~B,~B"); +}, "JU.BS,~N"); Clazz_defineMethod (c$, "addHydrogensInline", function (bsAtoms, vConnections, pts) { if (this.getScriptManager () == null) return null; @@ -59495,7 +60151,7 @@ Clazz_overrideMethod (c$, "evaluateExpression", function (stringOrTokens) { return (this.getScriptManager () == null ? null : this.eval.evaluateExpression (stringOrTokens, false, false)); }, "~O"); -Clazz_defineMethod (c$, "evaluateExpressionAsVariable", +Clazz_overrideMethod (c$, "evaluateExpressionAsVariable", function (stringOrTokens) { return (this.getScriptManager () == null ? null : this.eval.evaluateExpression (stringOrTokens, true, false)); }, "~O"); @@ -59550,9 +60206,11 @@ if (iboxed != null) return iboxed.intValue (); var i = id.charCodeAt (0); if (id.length > 1) { i = 300 + this.chainList.size (); -} else if (isAssign && 97 <= i && i <= 122) { +} else if ((isAssign || this.chainCaseSpecified) && 97 <= i && i <= 122) { i += 159; }if (i >= 256) { +iboxed = this.chainMap.get (id); +if (iboxed != null) return iboxed.intValue (); this.chainCaseSpecified = new Boolean (this.chainCaseSpecified | isAssign).valueOf (); this.chainList.addLast (id); }iboxed = Integer.$valueOf (i); @@ -59671,22 +60329,19 @@ Clazz_defineMethod (c$, "getAtomValidation", function (type, atom) { return this.getAnnotationParser (false).getAtomValidation (this, type, atom); }, "~S,JM.Atom"); -Clazz_defineMethod (c$, "getJzt", -function () { -return (this.jzt == null ? this.jzt = J.api.Interface.getInterface ("JU.ZipTools", this, "zip") : this.jzt); -}); Clazz_defineMethod (c$, "dragMinimizeAtom", function (iAtom) { this.stopMinimization (); var bs = (this.getMotionFixedAtoms ().isEmpty () ? this.ms.getAtoms ((this.ms.isAtomPDB (iAtom) ? 1086324742 : 1094713360), JU.BSUtil.newAndSetBit (iAtom)) : JU.BSUtil.setAll (this.ms.ac)); try { -this.minimize (null, 2147483647, 0, bs, null, 0, false, false, false, false); +this.minimize (null, 2147483647, 0, bs, null, 0, 0); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { if (!this.async) return; +var me = this; +var r = ((Clazz_isClassDefined ("JV.Viewer$1") ? 0 : JV.Viewer.$Viewer$1$ ()), Clazz_innerTypeInstance (JV.Viewer$1, this, Clazz_cloneFinals ("me", me, "iAtom", iAtom))); { -var me = this; setTimeout(function() -{me.dragMinimizeAtom(iAtom)}, 100); +setTimeout(function(){r.run()}, 100); }} else { throw e; } @@ -59714,7 +60369,7 @@ return (this.jsonParser == null ? this.jsonParser = J.api.Interface.getInterface }); Clazz_defineMethod (c$, "parseJSON", function (str) { -return (str == null ? null : str.startsWith ("{") ? this.parseJSONMap (str) : this.parseJSONArray (str)); +return (str == null ? null : (str = str.trim ()).startsWith ("{") ? this.parseJSONMap (str) : this.parseJSONArray (str)); }, "~S"); Clazz_defineMethod (c$, "parseJSONMap", function (jsonMap) { @@ -59778,14 +60433,6 @@ Clazz_defineMethod (c$, "getSubstructureSetArrayForNodes", function (pattern, nodes, flags) { return this.getSmilesMatcher ().getSubstructureSetArray (pattern, nodes, nodes.length, null, null, flags); }, "~S,~A,~N"); -Clazz_defineMethod (c$, "getPdbID", -function () { -return (this.ms.getInfo (this.am.cmi, "isPDB") === Boolean.TRUE ? this.ms.getInfo (this.am.cmi, "pdbID") : null); -}); -Clazz_defineMethod (c$, "getModelInfo", -function (key) { -return this.ms.getInfo (this.am.cmi, key); -}, "~S"); Clazz_defineMethod (c$, "getSmilesAtoms", function (smiles) { return this.getSmilesMatcher ().getAtoms (smiles); @@ -59802,24 +60449,14 @@ throw e; } } }, "~S"); -Clazz_defineMethod (c$, "getModelForAtomIndex", -function (iatom) { -return this.ms.am[this.ms.at[iatom].mi]; -}, "~N"); -Clazz_defineMethod (c$, "assignAtom", -function (atomIndex, element, ptNew) { -if (atomIndex < 0) atomIndex = this.atomHighlighted; -if (this.ms.isAtomInLastModel (atomIndex)) { -this.script ("assign atom ({" + atomIndex + "}) \"" + element + "\" " + (ptNew == null ? "" : JU.Escape.eP (ptNew))); -}}, "~N,~S,JU.P3"); -Clazz_defineMethod (c$, "getModelkit", -function (andShow) { -if (this.modelkit == null) { -this.modelkit = this.apiPlatform.getMenuPopup (null, 'm'); -} else if (andShow) { -this.modelkit.jpiUpdateComputedMenus (); -}return this.modelkit; -}, "~B"); +Clazz_defineMethod (c$, "getPdbID", +function () { +return (this.ms.getInfo (this.am.cmi, "isPDB") === Boolean.TRUE ? this.ms.getInfo (this.am.cmi, "pdbID") : null); +}); +Clazz_defineMethod (c$, "getModelInfo", +function (key) { +return this.ms.getInfo (this.am.cmi, key); +}, "~S"); Clazz_defineMethod (c$, "notifyScriptEditor", function (msWalltime, data) { if (this.scriptEditor != null) { @@ -59838,18 +60475,19 @@ function (key, value) { return (this.modelkit == null ? null : this.modelkit.setProperty (key, value)); }, "~S,~O"); Clazz_defineMethod (c$, "getSymmetryInfo", -function (iatom, xyz, iOp, pt1, pt2, type, desc, scaleFactor, nth, options) { +function (iatom, xyz, iOp, translation, pt1, pt2, type, desc, scaleFactor, nth, options) { try { -return this.getSymTemp ().getSymmetryInfoAtom (this.ms, iatom, xyz, iOp, pt1, pt2, desc, type, scaleFactor, nth, options); +return this.getSymTemp ().getSymmetryInfoAtom (this.ms, iatom, xyz, iOp, translation, pt1, pt2, desc, type, scaleFactor, nth, options); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { System.out.println ("Exception in Viewer.getSymmetryInfo: " + e); +if (!JV.Viewer.isJS) e.printStackTrace (); return null; } else { throw e; } } -}, "~N,~S,~N,JU.P3,JU.P3,~N,~S,~N,~N,~N"); +}, "~N,~S,~N,JU.P3,JU.P3,JU.P3,~N,~S,~N,~N,~N"); Clazz_defineMethod (c$, "setModelKitRotateBondIndex", function (i) { if (this.modelkit != null) { @@ -59878,12 +60516,50 @@ return s.toString (); }key = key.toLowerCase (); return this.macros.containsKey (key) ? (this.macros.get (key)).get ("path").toString () : null; }, "~S"); +Clazz_defineMethod (c$, "getInchi", +function (atoms, molData, options) { +try { +var inch = this.apiPlatform.getInChI (); +if (atoms == null && molData == null) return ""; +if (molData != null) { +if (molData.startsWith ("$") || molData.startsWith (":")) { +molData = this.getFileAsString4 (molData, -1, false, false, true, "script"); +} else if (!molData.startsWith ("InChI=") && molData.indexOf (" ") < 0) { +molData = this.getFileAsString4 ("$" + molData, -1, false, false, true, "script"); +}}return inch.getInchi (this, atoms, molData, options); +} catch (t) { +return ""; +} +}, "JU.BS,~S,~S"); +Clazz_defineMethod (c$, "getConsoleFontScale", +function () { +return this.consoleFontScale; +}); +Clazz_defineMethod (c$, "setConsoleFontScale", +function (scale) { +this.consoleFontScale = scale; +}, "~N"); +Clazz_defineMethod (c$, "confirm", +function (msg, msgNo) { +return this.apiPlatform.confirm (msg, msgNo); +}, "~S,~S"); Clazz_pu$h(self.c$); c$ = Clazz_declareType (JV.Viewer, "ACCESS", Enum); Clazz_defineEnumConstant (c$, "NONE", 0, []); Clazz_defineEnumConstant (c$, "READSPT", 1, []); Clazz_defineEnumConstant (c$, "ALL", 2, []); c$ = Clazz_p0p (); +c$.$Viewer$1$ = function () { +Clazz_pu$h(self.c$); +c$ = Clazz_declareAnonymous (JV, "Viewer$1", null, Runnable); +Clazz_overrideMethod (c$, "run", +function () { +this.f$.me.dragMinimizeAtom (this.f$.iAtom); +}); +c$ = Clazz_p0p (); +}; +Clazz_defineStatics (c$, +"nullDeletedAtoms", false); { { self.Jmol && Jmol.extend && Jmol.extend("vwr", @@ -59912,6 +60588,11 @@ Clazz_defineStatics (c$, "SYNC_NO_GRAPHICS_MESSAGE", "SET_GRAPHICS_OFF"); c$.staticFunctions = c$.prototype.staticFunctions = new java.util.Hashtable (); Clazz_defineStatics (c$, +"MIN_SILENT", 1, +"MIN_HAVE_FIXED", 2, +"MIN_QUICK", 4, +"MIN_ADDH", 8, +"MIN_NO_RANGE", 16, "nProcessors", 1); { { diff --git a/qmpy/web/static/js/jsmol/j2s/core/corejmol.z.js b/qmpy/web/static/js/jsmol/j2s/core/corejmol.z.js index 0a034bcc..195409f7 100644 --- a/qmpy/web/static/js/jsmol/j2s/core/corejmol.z.js +++ b/qmpy/web/static/js/jsmol/j2s/core/corejmol.z.js @@ -1,36 +1,36 @@ -(function(ea,ta,Ja,Ka,y,La,u,p,x,s,t,B,Ma,n,D,E,A,F,I,C,O,H,P,N,M,L,S,Q,U,V,v,ba,aa,W,ca,ha,da,ia,X,Y,ma,ua,va,wa,na,xa,ya,za,Aa,Ba,Ca,Da,oa,Ea,Fa,pa,Ga,Ha,c,j,fa){Jmol.___JmolDate="$Date: 2020-05-27 14:50:46 -0500 (Wed, 27 May 2020) $";Jmol.___fullJmolProperties="src/org/jmol/viewer/Jmol.properties";Jmol.___JmolVersion="14.31.2";(function(a){a._Loader.registerPackages("java",["io","lang","lang.reflect","util"]);var b=java.util;a._Loader.ignore("net.sf.j2s.ajax.HttpRequest java.util.MapEntry.Type java.net.UnknownServiceException java.lang.Runtime java.security.AccessController java.security.PrivilegedExceptionAction java.io.File java.io.FileInputStream java.io.FileWriter java.io.OutputStreamWriter java.util.concurrent.Executors".split(" ")); +(function(fa,ta,Ka,La,y,Ma,s,q,u,n,t,A,Na,r,D,G,z,F,H,C,O,K,P,N,L,M,Q,S,T,V,w,ba,aa,W,ca,ha,da,ia,X,Y,ma,ua,va,wa,na,xa,ya,za,Aa,Ba,Ca,Da,oa,Ea,Fa,pa,Ga,Ha,c,j,ea,Ia){Jmol.___JmolDate="$Date: 2021-12-23 12:47:05 -0600 (Thu, 23 Dec 2021) $";Jmol.___fullJmolProperties="src/org/jmol/viewer/Jmol.properties";Jmol.___JmolVersion="14.32.6";(function(a){a._Loader.registerPackages("java",["io","lang","lang.reflect","util"]);var b=java.util;a._Loader.ignore("net.sf.j2s.ajax.HttpRequest java.util.MapEntry.Type java.net.UnknownServiceException java.lang.Runtime java.security.AccessController java.security.PrivilegedExceptionAction java.io.File java.io.FileInputStream java.io.FileWriter java.io.OutputStreamWriter java.util.concurrent.Executors".split(" ")); Math.rint=Math.round;Math.log10||(Math.log10=function(a){return Math.log(a)/2.302585092994046});Math.signum||(Math.signum=function(a){return 0==a||isNaN(a)?a:0>a?-1:1});if(a._supportsNativeObject)for(var 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+a[11];this.m30=a[12];this.m31=a[13];this.m32=a[14];this.m33=a[15]},"~A");c(c$,"setTranslation",function(a){this.m03=a.x;this.m13=a.y;this.m23=a.z},"JU.T3");c(c$,"setElement",function(a,b,d){if(3>a&&3>b)this.set33(a,b,d);else{(3a&&3>b)return this.get33(a, +b);if(3a&&this.setRow33(a,b);switch(a){case 0:this.m03=b[3];return;case 1:this.m13=b[3];return;case 2:this.m23=b[3];return;case 3:this.m30=b[0];this.m31=b[1];this.m32=b[2];this.m33=b[3];return}this.err()},"~N,~A");j(c$,"getRow",function(a,b){3>a&&this.getRow33(a,b);switch(a){case 0:b[3]=this.m03; +return;case 1:b[3]=this.m13;return;case 2:b[3]=this.m23;return;case 3:b[0]=this.m30;b[1]=this.m31;b[2]=this.m32;b[3]=this.m33;return}this.err()},"~N,~A");c(c$,"setColumn4",function(a,b,d,g,c){0==a?(this.m00=b,this.m10=d,this.m20=g,this.m30=c):1==a?(this.m01=b,this.m11=d,this.m21=g,this.m31=c):2==a?(this.m02=b,this.m12=d,this.m22=g,this.m32=c):3==a?(this.m03=b,this.m13=d,this.m23=g,this.m33=c):this.err()},"~N,~N,~N,~N,~N");c(c$,"setColumnA",function(a,b){3>a&&this.setColumn33(a,b);switch(a){case 0:this.m30= +b[3];break;case 1:this.m31=b[3];break;case 2:this.m32=b[3];break;case 3:this.m03=b[0];this.m13=b[1];this.m23=b[2];this.m33=b[3];break;default:this.err()}},"~N,~A");c(c$,"getColumn",function(a,b){3>a&&this.getColumn33(a,b);switch(a){case 0:b[3]=this.m30;break;case 1:b[3]=this.m31;break;case 2:b[3]=this.m32;break;case 3:b[0]=this.m03;b[1]=this.m13;b[2]=this.m23;b[3]=this.m33;break;default:this.err()}},"~N,~A");c(c$,"sub",function(a){this.sub33(a);this.m03-=a.m03;this.m13-=a.m13;this.m23-=a.m23;this.m30-= +a.m30;this.m31-=a.m31;this.m32-=a.m32;this.m33-=a.m33},"JU.M4");c(c$,"add",function(a){this.m03+=a.x;this.m13+=a.y;this.m23+=a.z},"JU.T3");c(c$,"transpose",function(){this.transpose33();var a=this.m03;this.m03=this.m30;this.m30=a;a=this.m13;this.m13=this.m31;this.m31=a;a=this.m23;this.m23=this.m32;this.m32=a});c(c$,"invert",function(){var a=this.determinant4();if(0==a)return this;a=1/a;this.set(this.m11*(this.m22*this.m33-this.m23*this.m32)+this.m12*(this.m23*this.m31-this.m21*this.m33)+this.m13* +(this.m21*this.m32-this.m22*this.m31),this.m21*(this.m02*this.m33-this.m03*this.m32)+this.m22*(this.m03*this.m31-this.m01*this.m33)+this.m23*(this.m01*this.m32-this.m02*this.m31),this.m31*(this.m02*this.m13-this.m03*this.m12)+this.m32*(this.m03*this.m11-this.m01*this.m13)+this.m33*(this.m01*this.m12-this.m02*this.m11),this.m01*(this.m13*this.m22-this.m12*this.m23)+this.m02*(this.m11*this.m23-this.m13*this.m21)+this.m03*(this.m12*this.m21-this.m11*this.m22),this.m12*(this.m20*this.m33-this.m23*this.m30)+ +this.m13*(this.m22*this.m30-this.m20*this.m32)+this.m10*(this.m23*this.m32-this.m22*this.m33),this.m22*(this.m00*this.m33-this.m03*this.m30)+this.m23*(this.m02*this.m30-this.m00*this.m32)+this.m20*(this.m03*this.m32-this.m02*this.m33),this.m32*(this.m00*this.m13-this.m03*this.m10)+this.m33*(this.m02*this.m10-this.m00*this.m12)+this.m30*(this.m03*this.m12-this.m02*this.m13),this.m02*(this.m13*this.m20-this.m10*this.m23)+this.m03*(this.m10*this.m22-this.m12*this.m20)+this.m00*(this.m12*this.m23-this.m13* +this.m22),this.m13*(this.m20*this.m31-this.m21*this.m30)+this.m10*(this.m21*this.m33-this.m23*this.m31)+this.m11*(this.m23*this.m30-this.m20*this.m33),this.m23*(this.m00*this.m31-this.m01*this.m30)+this.m20*(this.m01*this.m33-this.m03*this.m31)+this.m21*(this.m03*this.m30-this.m00*this.m33),this.m33*(this.m00*this.m11-this.m01*this.m10)+this.m30*(this.m01*this.m13-this.m03*this.m11)+this.m31*(this.m03*this.m10-this.m00*this.m13),this.m03*(this.m11*this.m20-this.m10*this.m21)+this.m00*(this.m13*this.m21- +this.m11*this.m23)+this.m01*(this.m10*this.m23-this.m13*this.m20),this.m10*(this.m22*this.m31-this.m21*this.m32)+this.m11*(this.m20*this.m32-this.m22*this.m30)+this.m12*(this.m21*this.m30-this.m20*this.m31),this.m20*(this.m02*this.m31-this.m01*this.m32)+this.m21*(this.m00*this.m32-this.m02*this.m30)+this.m22*(this.m01*this.m30-this.m00*this.m31),this.m30*(this.m02*this.m11-this.m01*this.m12)+this.m31*(this.m00*this.m12-this.m02*this.m10)+this.m32*(this.m01*this.m10-this.m00*this.m11),this.m00*(this.m11* +this.m22-this.m12*this.m21)+this.m01*(this.m12*this.m20-this.m10*this.m22)+this.m02*(this.m10*this.m21-this.m11*this.m20));this.scale(a);return this});c(c$,"set",function(a,b,d,g,c,e,h,k,l,j,m,p,B,v,E,I){this.m00=a;this.m01=b;this.m02=d;this.m03=g;this.m10=c;this.m11=e;this.m12=h;this.m13=k;this.m20=l;this.m21=j;this.m22=m;this.m23=p;this.m30=B;this.m31=v;this.m32=E;this.m33=I},"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"determinant4",function(){return(this.m00*this.m11-this.m01*this.m10)* +(this.m22*this.m33-this.m23*this.m32)-(this.m00*this.m12-this.m02*this.m10)*(this.m21*this.m33-this.m23*this.m31)+(this.m00*this.m13-this.m03*this.m10)*(this.m21*this.m32-this.m22*this.m31)+(this.m01*this.m12-this.m02*this.m11)*(this.m20*this.m33-this.m23*this.m30)-(this.m01*this.m13-this.m03*this.m11)*(this.m20*this.m32-this.m22*this.m30)+(this.m02*this.m13-this.m03*this.m12)*(this.m20*this.m31-this.m21*this.m30)});c(c$,"scale",function(a){this.mul33(a);this.m03*=a;this.m13*=a;this.m23*=a;this.m30*= +a;this.m31*=a;this.m32*=a;this.m33*=a},"~N");c(c$,"mul",function(a){this.mul2(this,a)},"JU.M4");c(c$,"mul2",function(a,b){this.set(a.m00*b.m00+a.m01*b.m10+a.m02*b.m20+a.m03*b.m30,a.m00*b.m01+a.m01*b.m11+a.m02*b.m21+a.m03*b.m31,a.m00*b.m02+a.m01*b.m12+a.m02*b.m22+a.m03*b.m32,a.m00*b.m03+a.m01*b.m13+a.m02*b.m23+a.m03*b.m33,a.m10*b.m00+a.m11*b.m10+a.m12*b.m20+a.m13*b.m30,a.m10*b.m01+a.m11*b.m11+a.m12*b.m21+a.m13*b.m31,a.m10*b.m02+a.m11*b.m12+a.m12*b.m22+a.m13*b.m32,a.m10*b.m03+a.m11*b.m13+a.m12*b.m23+ +a.m13*b.m33,a.m20*b.m00+a.m21*b.m10+a.m22*b.m20+a.m23*b.m30,a.m20*b.m01+a.m21*b.m11+a.m22*b.m21+a.m23*b.m31,a.m20*b.m02+a.m21*b.m12+a.m22*b.m22+a.m23*b.m32,a.m20*b.m03+a.m21*b.m13+a.m22*b.m23+a.m23*b.m33,a.m30*b.m00+a.m31*b.m10+a.m32*b.m20+a.m33*b.m30,a.m30*b.m01+a.m31*b.m11+a.m32*b.m21+a.m33*b.m31,a.m30*b.m02+a.m31*b.m12+a.m32*b.m22+a.m33*b.m32,a.m30*b.m03+a.m31*b.m13+a.m32*b.m23+a.m33*b.m33)},"JU.M4,JU.M4");c(c$,"transform",function(a){this.transform2(a,a)},"JU.T4");c(c$,"transform2",function(a, +b){b.set4(this.m00*a.x+this.m01*a.y+this.m02*a.z+this.m03*a.w,this.m10*a.x+this.m11*a.y+this.m12*a.z+this.m13*a.w,this.m20*a.x+this.m21*a.y+this.m22*a.z+this.m23*a.w,this.m30*a.x+this.m31*a.y+this.m32*a.z+this.m33*a.w)},"JU.T4,JU.T4");c(c$,"rotTrans",function(a){this.rotTrans2(a,a)},"JU.T3");c(c$,"rotTrans2",function(a,b){b.set(this.m00*a.x+this.m01*a.y+this.m02*a.z+this.m03,this.m10*a.x+this.m11*a.y+this.m12*a.z+this.m13,this.m20*a.x+this.m21*a.y+this.m22*a.z+this.m23);return b},"JU.T3,JU.T3");c(c$, +"setAsXYRotation",function(a){this.setIdentity();var b=Math.cos(a);a=Math.sin(a);this.m22=b;this.m23=-a;this.m32=a;this.m33=b;return this},"~N");c(c$,"setAsYZRotation",function(a){this.setIdentity();var b=Math.cos(a);a=Math.sin(a);this.m00=b;this.m03=-a;this.m30=a;this.m33=b;return this},"~N");c(c$,"setAsXZRotation",function(a){this.setIdentity();var b=Math.cos(a);a=Math.sin(a);this.m11=b;this.m13=-a;this.m31=a;this.m33=b;return this},"~N");j(c$,"equals",function(a){return!q(a,JU.M4)?!1:this.m00== +a.m00&&this.m01==a.m01&&this.m02==a.m02&&this.m03==a.m03&&this.m10==a.m10&&this.m11==a.m11&&this.m12==a.m12&&this.m13==a.m13&&this.m20==a.m20&&this.m21==a.m21&&this.m22==a.m22&&this.m23==a.m23&&this.m30==a.m30&&this.m31==a.m31&&this.m32==a.m32&&this.m33==a.m33},"~O");j(c$,"hashCode",function(){return JU.T3.floatToIntBits(this.m00)^JU.T3.floatToIntBits(this.m01)^JU.T3.floatToIntBits(this.m02)^JU.T3.floatToIntBits(this.m03)^JU.T3.floatToIntBits(this.m10)^JU.T3.floatToIntBits(this.m11)^JU.T3.floatToIntBits(this.m12)^ +JU.T3.floatToIntBits(this.m13)^JU.T3.floatToIntBits(this.m20)^JU.T3.floatToIntBits(this.m21)^JU.T3.floatToIntBits(this.m22)^JU.T3.floatToIntBits(this.m23)^JU.T3.floatToIntBits(this.m30)^JU.T3.floatToIntBits(this.m31)^JU.T3.floatToIntBits(this.m32)^JU.T3.floatToIntBits(this.m33)});j(c$,"toString",function(){return"[\n ["+this.m00+"\t"+this.m01+"\t"+this.m02+"\t"+this.m03+"]\n ["+this.m10+"\t"+this.m11+"\t"+this.m12+"\t"+this.m13+"]\n ["+this.m20+"\t"+this.m21+"\t"+this.m22+"\t"+this.m23+"]\n ["+ +this.m30+"\t"+this.m31+"\t"+this.m32+"\t"+this.m33+"] ]"});c(c$,"round",function(a){this.m00=this.rnd(this.m00,a);this.m01=this.rnd(this.m01,a);this.m02=this.rnd(this.m02,a);this.m03=this.rnd(this.m03,a);this.m10=this.rnd(this.m10,a);this.m11=this.rnd(this.m11,a);this.m12=this.rnd(this.m12,a);this.m13=this.rnd(this.m13,a);this.m20=this.rnd(this.m20,a);this.m21=this.rnd(this.m21,a);this.m22=this.rnd(this.m22,a);this.m23=this.rnd(this.m23,a);this.m30=this.rnd(this.m30,a);this.m31=this.rnd(this.m31, +a);this.m32=this.rnd(this.m32,a);this.m33=this.rnd(this.m33,a);return this},"~N");c(c$,"rnd",function(a,b){return Math.abs(a)d&&(d=a.length-b);try{this.os.write(a, +b,d)}catch(g){if(!G(g,java.io.IOException))throw g;}this.byteCount+=d},"~A,~N,~N");j(c$,"writeShort",function(a){this.isBigEndian()?(this.writeByteAsInt(a>>8),this.writeByteAsInt(a)):(this.writeByteAsInt(a),this.writeByteAsInt(a>>8))},"~N");j(c$,"writeLong",function(a){this.isBigEndian()?(this.writeInt(a>>32&4294967295),this.writeInt(a&4294967295)):(this.writeByteAsInt(a>>56),this.writeByteAsInt(a>>48),this.writeByteAsInt(a>>40),this.writeByteAsInt(a>>32),this.writeByteAsInt(a>>24),this.writeByteAsInt(a>> +16),this.writeByteAsInt(a>>8),this.writeByteAsInt(a))},"~N");c(c$,"cancel",function(){this.isCanceled=!0;this.closeChannel()});j(c$,"closeChannel",function(){if(this.closed)return null;try{null!=this.bw?(this.bw.flush(),this.bw.close()):null!=this.os&&(this.os.flush(),this.os.close()),null!=this.os0&&this.isCanceled&&(this.os0.flush(),this.os0.close())}catch(a){if(!G(a,Exception))throw a;}if(this.isCanceled)return this.closed=!0,null;if(null==this.fileName){if(this.$isBase64){var b=this.getBase64(); +null!=this.os0&&(this.os=this.os0,this.append(b));this.sb=new JU.SB;this.sb.append(b);this.$isBase64=!1;return this.closeChannel()}return null==this.sb?null:this.sb.toString()}this.closed=!0;if(!this.isLocalFile){b=this.postByteArray();if(null==b||b.startsWith("java.net"))this.byteCount=-1;return b}var d=b=null,b=self.J2S||Jmol,d="function"==typeof this.fileName?this.fileName:null;if(null!=b){var g=null==this.sb?this.toByteArray():this.sb.toString();null==d?b.doAjax(this.fileName,null,g,null==this.sb): +b.applyFunc(this.fileName,g)}return null});c(c$,"isBase64",function(){return this.$isBase64});c(c$,"getBase64",function(){return JU.Base64.getBase64(this.toByteArray()).toString()});c(c$,"toByteArray",function(){return null!=this.bytes?this.bytes:q(this.os,java.io.ByteArrayOutputStream)?this.os.toByteArray():null});c(c$,"close",function(){this.closeChannel()});j(c$,"toString",function(){if(null!=this.bw)try{this.bw.flush()}catch(a){if(!G(a,java.io.IOException))throw a;}return null!=this.sb?this.closeChannel(): +this.byteCount+" bytes"});c(c$,"postByteArray",function(){var a=null==this.sb?this.toByteArray():this.sb.toString().getBytes();return this.bytePoster.postByteArray(this.fileName,a)});c$.isRemote=c(c$,"isRemote",function(a){if(null==a)return!1;a=JU.OC.urlTypeIndex(a);return 0<=a&&4>a},"~S");c$.isLocal=c(c$,"isLocal",function(a){return null!=a&&!JU.OC.isRemote(a)},"~S");c$.urlTypeIndex=c(c$,"urlTypeIndex",function(a){if(null==a)return-2;for(var b=0;b>24),this.writeByteAsInt(a>>16),this.writeByteAsInt(a>>8),this.writeByteAsInt(a)):(this.writeByteAsInt(a),this.writeByteAsInt(a>>8),this.writeByteAsInt(a>>16),this.writeByteAsInt(a>>24))},"~N");c(c$,"writeFloat",function(a){this.writeInt(0==a?0:Float.floatToIntBits(a))},"~N");F(c$,"urlPrefixes",w(-1,"http: https: sftp: ftp: file: cache:".split(" ")),"URL_LOCAL",4,"URL_CACHE",5)});s("JU");u(["JU.T3"],"JU.P3",null,function(){c$= +C(JU,"P3",JU.T3);c$.newP=c(c$,"newP",function(a){var b=new 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String.instantialize(a)},"~A");c$.getUTFEncoding=c(c$,"getUTFEncoding",function(a){return 3<=a.length&&239==(a[0]&255)&&187==(a[1]&255)&&191==(a[2]&255)?JU.Encoding.UTF8:4<=a.length&&0==(a[0]&255)&&0==(a[1]&255)&&254==(a[2]&255)&&255==(a[3]&255)?JU.Encoding.UTF_32BE:4<=a.length&&255==(a[0]&255)&&254==(a[1]&255)&&0==(a[2]&255)&&0==(a[3]&255)?JU.Encoding.UTF_32LE:2<=a.length&&255== +(a[0]&255)&&254==(a[1]&255)?JU.Encoding.UTF_16LE:2<=a.length&&254==(a[0]&255)&&255==(a[1]&255)?JU.Encoding.UTF_16BE:JU.Encoding.NONE},"~A");c$.getUTFEncodingForStream=c(c$,"getUTFEncodingForStream",function(a){a.resetStream();var b=P(4,0);b[3]=1;try{a.mark(5)}catch(d){if(G(d,Exception))return JU.Encoding.NONE;throw d;}a.read(b,0,4);a.reset();return JU.Rdr.getUTFEncoding(b)},"java.io.BufferedInputStream");c$.isBase64=c(c$,"isBase64",function(a){return 0==a.indexOf(";base64,")},"JU.SB");c$.isCompoundDocumentS= c(c$,"isCompoundDocumentS",function(a){return 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-this.checkCurrentLineForScript();this.asc.newAtomSet();var b=this.line.trim();this.readAtoms(a);this.applySymmetryAndSetTrajectory();this.asc.setAtomSetName(b);if(this.isLastModel(this.modelNumber))return this.continuing=!1}else this.skipAtomSet(a);this.discardLinesUntilNonBlank();return!1});j(c$,"finalizeSubclassReader",function(){this.isTrajectory=!1;this.finalizeReaderASCR()});c(c$,"skipAtomSet",function(a){for(this.rd();0<=--a;)this.rd()},"~N");c(c$,"readAtoms",function(a){for(var b=0;bd.length)JU.Logger.warn("line cannot be read for XYZ atom data: "+this.line);else{var g=this.addAtomXYZSymName(d,1,null,null);this.setElementAndIsotope(g,d[0]);var c=4;switch(d.length){case 4:continue;case 5:case 6:case 8:case 9:if(0<=d[4].indexOf("."))g.partialCharge=this.parseFloatStr(d[4]);else{var e=this.parseIntStr(d[4]);-2147483648!=e&&(g.formalCharge=e)}switch(d.length){case 5:continue;case 6:g.radius=this.parseFloatStr(d[5]);continue;case 9:g.atomSerial=this.parseIntStr(d[8])}c++; -default:var e=this.parseFloatStr(d[c++]),h=this.parseFloatStr(d[c++]),d=this.parseFloatStr(d[c++]);if(Float.isNaN(e)||Float.isNaN(h)||Float.isNaN(d))continue;this.asc.addVibrationVector(g.index,e,h,d)}}}},"~N")});u("J.adapter.smarter");x(["JU.P3"],"J.adapter.smarter.Atom",["JU.AU","$.Lst","$.V3","JU.Vibration"],function(){c$=t(function(){this.index=this.atomSetIndex=0;this.bsSymmetry=null;this.atomSite=0;this.elementSymbol=null;this.elementNumber=-1;this.atomName=null;this.formalCharge=-2147483648; -this.partialCharge=NaN;this.vib=null;this.bfactor=NaN;this.foccupancy=1;this.radius=NaN;this.isHetero=!1;this.atomSerial=-2147483648;this.chainID=0;this.altLoc="\x00";this.group3=null;this.sequenceNumber=-2147483648;this.insertionCode="\x00";this.tensors=this.anisoBorU=null;this.ignoreSymmetry=!1;s(this,arguments)},J.adapter.smarter,"Atom",JU.P3,Cloneable);c(c$,"addTensor",function(a,b,d){if(null==a)return null;if(d||null==this.tensors)this.tensors=new JU.Lst;this.tensors.addLast(a);null!=b&&a.setType(b); -return a},"JU.Tensor,~S,~B");n(c$,function(){H(this,J.adapter.smarter.Atom,[]);this.set(NaN,NaN,NaN)});c(c$,"getClone",function(){var a=this.clone();null!=this.vib&&(a.vib=p(this.vib,JU.Vibration)?this.vib.clone():JU.V3.newV(a.vib));null!=this.anisoBorU&&(a.anisoBorU=JU.AU.arrayCopyF(this.anisoBorU,-1));if(null!=this.tensors){a.tensors=new JU.Lst;for(var b=this.tensors.size();0<=--b;)a.tensors.addLast(this.tensors.get(b).copyTensor())}return a});c(c$,"getElementSymbol",function(){if(null==this.elementSymbol&& -null!=this.atomName){for(var a=this.atomName.length,b=0,d=String.fromCharCode(0);b=a&&0>J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)- -65]},"~S");c$.isValidSym2=c(c$,"isValidSym2",function(a,b){return"A"<=a&&"Z">=a&&"a"<=b&&"z">=b&&0!=(J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)-65]>>b.charCodeAt(0)-97&1)},"~S,~S");c$.isValidSymNoCase=c(c$,"isValidSymNoCase",function(a,b){return J.adapter.smarter.Atom.isValidSym2(a,"a">b?String.fromCharCode(b.charCodeAt(0)+32):b)},"~S,~S");c$.isValidSymChar1=c(c$,"isValidSymChar1",function(a){return"A"<=a&&"Z">=a&&0!=J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)-65]},"~S"); -F(c$,"elementCharMasks",A(-1,[1972292,-2147351151,-2146019271,-2130706430,1441792,-2147348464,25,-2147205008,-2147344384,0,-2147352576,1179905,548936,-2147434213,-2147221504,-2145759221,0,1056947,-2147339946,-2147477097,-2147483648,-2147483648,-2147483648,8388624,-2147483646,139264]))});u("J.adapter.smarter");x(["J.api.JmolAdapterAtomIterator"],"J.adapter.smarter.AtomIterator",["java.lang.Float","J.api.JmolAdapter"],function(){c$=t(function(){this.iatom=0;this.atom=null;this.ac=0;this.bsAtoms=this.atoms= -null;s(this,arguments)},J.adapter.smarter,"AtomIterator",null,J.api.JmolAdapterAtomIterator);n(c$,function(a){this.ac=a.ac;this.atoms=a.atoms;this.bsAtoms=a.bsAtoms;this.iatom=0},"J.adapter.smarter.AtomSetCollection");j(c$,"hasNext",function(){if(this.iatom==this.ac)return!1;for(;null==(this.atom=this.atoms[this.iatom++])||null!=this.bsAtoms&&!this.bsAtoms.get(this.atom.index);)if(this.iatom==this.ac)return!1;this.atoms[this.iatom-1]=null;return!0});j(c$,"getAtomSetIndex",function(){return this.atom.atomSetIndex}); -j(c$,"getSymmetry",function(){return this.atom.bsSymmetry});j(c$,"getAtomSite",function(){return this.atom.atomSite+1});j(c$,"getUniqueID",function(){return Integer.$valueOf(this.atom.index)});j(c$,"getElementNumber",function(){return 0b.desiredVibrationNumber; -a=new java.util.Properties;a.put("PATH_KEY",".PATH");a.put("PATH_SEPARATOR",J.adapter.smarter.SmarterJmolAdapter.PATH_SEPARATOR);this.setInfo("properties",a);if(null!=d){g=0;this.readerList=new JU.Lst;for(a=0;aa?this.iSet+1:1E6*(a+1)+b.atomSetNumbers[e]}for(g=0;ga[g].atomSetIndex)return;d[a[g].atomSetIndex].addLast(a[g])}for(g=this.atomSetCount;0<=--g;)for(var c=d[g].size();0<=--c;)a[--b]=d[g].get(c)},"~A,~N");c(c$,"reverseObject",function(a){for(var b=this.atomSetCount,d=y(b/2);0<=--d;)JU.AU.swap(a,d,b-1-d)},"~A");c$.reverseList=c(c$,"reverseList",function(a){null!=a&&java.util.Collections.reverse(a)},"JU.Lst");c(c$,"reverseArray",function(a){for(var b=this.atomSetCount,d=y(b/2);0<=--d;)JU.AU.swapInt(a,d,b-1-d)},"~A");c(c$, -"getList",function(a){var b;for(b=this.ac;0<=--b&&!(null!=this.atoms[b]&&"\x00"!=(a?this.atoms[b].altLoc:this.atoms[b].insertionCode)););if(!(0>b)){var d=Array(this.atomSetCount);for(b=0;bd[g=this.atoms[b].atomSetIndex].indexOf(c))d[g]+=c}a=a?"altLocs":"insertionCodes";for(b=0;bthis.iSet)){var a=this.atomSetAtomIndexes[this.iSet];null!=this.bsAtoms&&this.bsAtoms.clearBits(a, -this.ac);this.ac=a;this.atomSetAtomCounts[this.iSet]=0;this.iSet--;this.atomSetCount--;this.reader.doCheckUnitCell=!1}});c(c$,"getHydrogenAtomCount",function(){for(var a=0,b=0;ba.atomIndex1||0>a.atomIndex2||0>a.order||a.atomIndex1==a.atomIndex2||this.atoms[a.atomIndex1].atomSetIndex!=this.atoms[a.atomIndex2].atomSetIndex?JU.Logger.debugging&&JU.Logger.debug(">>>>>>BAD BOND:"+a.atomIndex1+"-"+a.atomIndex2+" order="+a.order):(this.bondCount==this.bonds.length&& -(this.bonds=JU.AU.arrayCopyObject(this.bonds,this.bondCount+1024)),this.bonds[this.bondCount++]=a,this.atomSetBondCounts[this.iSet]++))},"J.adapter.smarter.Bond");c(c$,"finalizeStructures",function(){if(0!=this.structureCount){this.bsStructuredModels=new JU.BS;for(var a=new java.util.Hashtable,b=0;ba-b;)a+=1;return a},"~N,~N");c(c$,"finalizeTrajectoryAs",function(a,b){this.trajectorySteps=a;this.vibrationSteps=b;this.trajectoryStepCount=a.size();this.finalizeTrajectory()},"JU.Lst,JU.Lst");c(c$,"finalizeTrajectory",function(){if(0!=this.trajectoryStepCount){var a=this.trajectorySteps.get(0),b=null==this.vibrationSteps?null:this.vibrationSteps.get(0),d=null==this.bsAtoms?this.ac:this.bsAtoms.cardinality();if(null!=this.vibrationSteps&& -null!=b&&b.lengtha.length?-1:a[1]){case 0:return"image/jpg";case 73:return"image/gif";case 77:return"image/BMP";case 80:return"image/png";default:return"image/unknown"}},"~A");c$.getBIS=c(c$,"getBIS",function(a){return new java.io.BufferedInputStream(new java.io.ByteArrayInputStream(a))},"~A");c$.getBR=c(c$,"getBR",function(a){return new java.io.BufferedReader(new java.io.StringReader(a))},"~S");c$.getUnzippedInputStream=c(c$,"getUnzippedInputStream",function(a,b){for(;JU.Rdr.isGzipS(b);)b=new java.io.BufferedInputStream(a.newGZIPInputStream(b)); +return b},"javajs.api.GenericZipTools,java.io.BufferedInputStream");c$.getUnzippedInputStreamBZip2=c(c$,"getUnzippedInputStreamBZip2",function(a,b){for(;JU.Rdr.isBZip2S(b);)b=new java.io.BufferedInputStream(a.newBZip2InputStream(b));return b},"javajs.api.GenericZipTools,java.io.BufferedInputStream");c$.getBytesFromSB=c(c$,"getBytesFromSB",function(a){return JU.Rdr.isBase64(a)?JU.Base64.decodeBase64(a.substring(8)):a.toBytes(0,-1)},"JU.SB");c$.getStreamAsBytes=c(c$,"getStreamAsBytes",function(a,b){for(var d= +P(1024,0),g=null==b?P(4096,0):null,c=0,e=0;0<(c=a.read(d,0,1024));)e+=c,null==b?(e>=g.length&&(g=JU.AU.ensureLengthByte(g,2*e)),System.arraycopy(d,0,g,e-c,c)):b.write(d,0,c);a.close();return null==b?JU.AU.arrayCopyByte(g,e):e+" bytes"},"java.io.BufferedInputStream,JU.OC");c$.getBufferedReader=c(c$,"getBufferedReader",function(a,b){if(JU.Rdr.getUTFEncodingForStream(a)===JU.Encoding.NONE)return new JU.Rdr.StreamReader(a,b);var d=JU.Rdr.getLimitedStreamBytes(a,-1);a.close();return JU.Rdr.getBR(null== +b?JU.Rdr.fixUTF(d):String.instantialize(d,b))},"java.io.BufferedInputStream,~S");c$.getLimitedStreamBytes=c(c$,"getLimitedStreamBytes",function(a,b){var d=0b?b:1024,g=P(d,0),c=P(0>b?4096:b,0),e=0,h=0;for(0>b&&(b=2147483647);hc.length&&(c=JU.AU.ensureLengthByte(c,2*h)),System.arraycopy(g,0,c,h-e,e),2147483647!=b&&h+d>c.length&&(d=c.length-h);if(h==c.length)return c;g=P(h,0);System.arraycopy(c,0,g,0,h);return g},"java.io.InputStream,~N");c$.streamToUTF8String= +c(c$,"streamToUTF8String",function(a){var b=Array(1);try{JU.Rdr.readAllAsString(JU.Rdr.getBufferedReader(a,"UTF-8"),-1,!0,b,0)}catch(d){if(!G(d,java.io.IOException))throw d;}return b[0]},"java.io.BufferedInputStream");c$.readAllAsString=c(c$,"readAllAsString",function(a,b,d,g,c){try{var e=JU.SB.newN(8192),h;if(0>b){if(h=a.readLine(),d||null!=h&&0>h.indexOf("\x00")&&(4!=h.length||65533!=h.charCodeAt(0)||1!=h.indexOf("PNG")))for(e.append(h).appendC("\n");null!=(h=a.readLine());)e.append(h).appendC("\n")}else{d= +0;for(var k;db?a:a.substring(0,b)},"~S");c$.isTar=c(c$,"isTar",function(a){a=JU.Rdr.getMagic(a,264);return 0!=a[0]&&117==(a[257]&255)&&115==(a[258]&255)&&116==(a[259]&255)&&97==(a[260]&255)&&114==(a[261]&255)},"java.io.BufferedInputStream");c$.streamToBytes=c(c$,"streamToBytes",function(a){var b=JU.Rdr.getLimitedStreamBytes(a,-1);a.close();return b},"java.io.InputStream");c$.streamToString=c(c$,"streamToString",function(a){return String.instantialize(JU.Rdr.streamToBytes(a))},"java.io.InputStream"); +M(self.c$);c$=t(function(){this.stream=null;n(this,arguments)},JU.Rdr,"StreamReader",java.io.BufferedReader);r(c$,function(a,b){K(this,JU.Rdr.StreamReader,[new java.io.InputStreamReader(a,null==b?"UTF-8":b)]);this.stream=a},"java.io.BufferedInputStream,~S");c(c$,"getStream",function(){try{this.stream.reset()}catch(a){if(!G(a,java.io.IOException))throw a;}return this.stream});c$=L();F(c$,"b264",null)});s("JU");u(null,"JU.T3d",["java.lang.Double"],function(){c$=t(function(){this.z=this.y=this.x=0;n(this, +arguments)},JU,"T3d",null,java.io.Serializable);r(c$,function(){});c(c$,"set",function(a,b,d){this.x=a;this.y=b;this.z=d},"~N,~N,~N");c(c$,"setA",function(a){this.x=a[0];this.y=a[1];this.z=a[2]},"~A");c(c$,"setT",function(a){this.x=a.x;this.y=a.y;this.z=a.z},"JU.T3d");c(c$,"add2",function(a,b){this.x=a.x+b.x;this.y=a.y+b.y;this.z=a.z+b.z},"JU.T3d,JU.T3d");c(c$,"add",function(a){this.x+=a.x;this.y+=a.y;this.z+=a.z},"JU.T3d");c(c$,"sub2",function(a,b){this.x=a.x-b.x;this.y=a.y-b.y;this.z=a.z-b.z},"JU.T3d,JU.T3d"); +c(c$,"sub",function(a){this.x-=a.x;this.y-=a.y;this.z-=a.z},"JU.T3d");c(c$,"scale",function(a){this.x*=a;this.y*=a;this.z*=a},"~N");c(c$,"scaleAdd",function(a,b,d){this.x=a*b.x+d.x;this.y=a*b.y+d.y;this.z=a*b.z+d.z},"~N,JU.T3d,JU.T3d");j(c$,"hashCode",function(){var a=JU.T3d.doubleToLongBits0(this.x),b=JU.T3d.doubleToLongBits0(this.y),d=JU.T3d.doubleToLongBits0(this.z);return a^a>>32^b^b>>32^d^d>>32});c$.doubleToLongBits0=c(c$,"doubleToLongBits0",function(a){return 0==a?0:Double.doubleToLongBits(a)}, +"~N");j(c$,"equals",function(a){return!q(a,JU.T3d)?!1:this.x==a.x&&this.y==a.y&&this.z==a.z},"~O");j(c$,"toString",function(){return"{"+this.x+", "+this.y+", "+this.z+"}"})});s("JU");u(["JU.T3d"],"JU.V3d",null,function(){c$=C(JU,"V3d",JU.T3d);c(c$,"cross",function(a,b){this.set(a.y*b.z-a.z*b.y,a.z*b.x-a.x*b.z,a.x*b.y-a.y*b.x)},"JU.V3d,JU.V3d");c(c$,"normalize",function(){var a=this.length();this.x/=a;this.y/=a;this.z/=a});c(c$,"angle",function(a){var b=this.y*a.z-this.z*a.y,d=this.z*a.x-this.x*a.z, +g=this.x*a.y-this.y*a.x,b=Math.sqrt(b*b+d*d+g*g);return Math.abs(Math.atan2(b,this.dot(a)))},"JU.V3d");c(c$,"dot",function(a){return this.x*a.x+this.y*a.y+this.z*a.z},"JU.V3d");c(c$,"lengthSquared",function(){return this.x*this.x+this.y*this.y+this.z*this.z});c(c$,"length",function(){return Math.sqrt(this.lengthSquared())})});s("J.adapter.readers.molxyz");u(["J.adapter.smarter.AtomSetCollectionReader"],"J.adapter.readers.molxyz.MolReader","java.lang.Exception java.util.Hashtable JU.BS $.Lst $.PT J.adapter.smarter.Atom J.api.JmolAdapter JU.Logger".split(" "), +function(){c$=t(function(){this.haveAtomSerials=this.optimize2D=!1;this.allow2D=!0;this.iatom0=0;this.vr=null;this.atomCount=0;this.atomData=null;this.is2D=!1;n(this,arguments)},J.adapter.readers.molxyz,"MolReader",J.adapter.smarter.AtomSetCollectionReader);j(c$,"initializeReader",function(){this.optimize2D=this.checkFilterKey("2D")});j(c$,"checkLine",function(){var a=this.line.startsWith("$MDL");if(a){if(this.discardLinesUntilStartsWith("$HDR"),this.rd(),null==this.line)return JU.Logger.warn("$HDR not found in MDL RG file"), +this.continuing=!1}else if(this.line.equals("M END"))return!0;if(this.doGetModel(++this.modelNumber,null)&&(this.iatom0=this.asc.ac,this.processMolSdHeader(),this.processCtab(a),this.vr=null,this.isLastModel(this.modelNumber)))return this.continuing=!1;null!=this.line&&0>this.line.indexOf("$$$$")&&this.discardLinesUntilStartsWith("$$$$");return!0});j(c$,"finalizeSubclassReader",function(){this.finalizeReaderMR()});c(c$,"finalizeReaderMR",function(){this.is2D&&!this.optimize2D&&this.appendLoadNote('This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D.'); +if(this.optimize2D){this.set2D();null==this.asc.bsAtoms&&(this.asc.bsAtoms=new JU.BS,this.asc.bsAtoms.setBits(0,this.asc.ac));for(var a=this.asc.bondCount;0<=--a;){var b=this.asc.bonds[a];this.asc.atoms[b.atomIndex2].elementSymbol.equals("H")&&(1025!=b.order&&1041!=b.order)&&this.asc.bsAtoms.clear(b.atomIndex2)}}this.isTrajectory=!1;this.finalizeReaderASCR()});c(c$,"processMolSdHeader",function(){var a="",b=this.line.trim();this.asc.setCollectionName(b);a+=this.line+"\n";this.rd();if(null!=this.line){a+= +this.line+"\n";if((this.is2D=22<=this.line.length&&this.line.substring(20,22).equals("2D"))&&!this.allow2D)throw new Exception("File is 2D, not 3D");this.rd();null!=this.line&&(this.line=this.line.trim(),a+=this.line+"\n",JU.Logger.info(a),this.checkCurrentLineForScript(),this.asc.setInfo("fileHeader",a),this.newAtomSet(b))}});c(c$,"processCtab",function(a){a&&this.discardLinesUntilStartsWith("$CTAB");null!=this.rd()&&(0<=this.line.indexOf("V3000")?(this.optimize2D=this.is2D,this.vr=this.getInterface("J.adapter.readers.molxyz.V3000Rdr").set(this), +this.discardLinesUntilContains("COUNTS"),this.vr.readAtomsAndBonds(this.getTokens())):this.readAtomsAndBonds(this.parseIntRange(this.line,0,3),this.parseIntRange(this.line,3,6)),this.applySymmetryAndSetTrajectory())},"~B");c(c$,"readAtomsAndBonds",function(a,b){this.atomCount=a;for(var d=0;dg?c=this.line.substring(31).trim():(c=this.line.substring(31,34).trim(),c.equals("H1")&&(c="H",j=1),39<=g&&(g=this.parseIntRange(this.line,36,39),1<=g&&7>=g&&(l=4-g),g=this.parseIntRange(this.line,34,36),0!=g&&(-3<=g&&4>=g)&&(j=J.api.JmolAdapter.getNaturalIsotope(J.api.JmolAdapter.getElementNumber(c))+g),-2147483648==m&&this.haveAtomSerials&&(m=d+1)));this.addMolAtom(m,j,c,l,e,h,k)}this.asc.setModelInfoForSet("dimension",this.is2D?"2D":"3D",this.asc.iSet);this.rd();this.line.startsWith("V ")&& +this.readAtomValues();0==b&&this.asc.setNoAutoBond();for(d=0;d")?this.readMolData(d,c):this.line.startsWith("M ISO")?this.readIsotopes():this.rd();null!=this.atomData&&(e=d.get("atom_value_name"),d.put(null==e?"atom_values":e.toString(),this.atomData));d.isEmpty()||(this.asc.setCurrentModelInfo("molDataKeys",c),this.asc.setCurrentModelInfo("molData",d))},"~N,~N");c(c$,"readAtomValues",function(){this.atomData=Array(this.atomCount);for(var a=this.atomData.length;0<=--a;)this.atomData[a]="";for(;0== +this.line.indexOf("V ");){a=this.parseIntAt(this.line,3);if(1>a||a>this.atomCount){JU.Logger.error("V nnn does not evalute to a valid atom number: "+a);break}var b=this.line.substring(6).trim();this.atomData[a-1]=b;this.rd()}});c(c$,"readIsotopes",function(){var a=this.parseIntAt(this.line,6);try{for(var b=this.asc.getLastAtomSetAtomIndex(),d=0,g=9;d <").toLowerCase(),c="",e=null;null!=this.rd()&&!this.line.equals("$$$$")&&0=this.desiredVibrationNumber?this.doGetModel(this.modelNumber,null):this.doGetVibration(this.vibrationNumber)){this.rd();this.checkCurrentLineForScript();this.asc.newAtomSet();var b=this.line.trim();this.readAtoms(a);this.applySymmetryAndSetTrajectory();this.asc.setAtomSetName(b);if(this.isLastModel(this.modelNumber))return this.continuing=!1}else this.skipAtomSet(a);this.discardLinesUntilNonBlank();return!1});j(c$,"finalizeSubclassReader",function(){this.isTrajectory=!1;this.finalizeReaderASCR()}); +c(c$,"skipAtomSet",function(a){for(this.rd();0<=--a;)this.rd()},"~N");c(c$,"readAtoms",function(a){for(var b=0;bd.length)JU.Logger.warn("line cannot be read for XYZ atom data: "+this.line);else{var g=this.addAtomXYZSymName(d,1,null,null);this.setElementAndIsotope(g,d[0]);var c=4;switch(d.length){case 4:continue;case 5:case 6:case 8:case 9:if(0<=d[4].indexOf("."))g.partialCharge=this.parseFloatStr(d[4]);else{var e=this.parseIntStr(d[4]);-2147483648!=e&& +(g.formalCharge=e)}switch(d.length){case 5:continue;case 6:g.radius=this.parseFloatStr(d[5]);continue;case 9:g.atomSerial=this.parseIntStr(d[8])}c++;default:var e=this.parseFloatStr(d[c++]),h=this.parseFloatStr(d[c++]),d=this.parseFloatStr(d[c++]);if(Float.isNaN(e)||Float.isNaN(h)||Float.isNaN(d))continue;this.asc.addVibrationVector(g.index,e,h,d)}}}},"~N")});s("J.adapter.smarter");u(["JU.P3"],"J.adapter.smarter.Atom",["JU.AU","$.Lst","$.V3","JU.Vibration"],function(){c$=t(function(){this.index=this.atomSetIndex= +0;this.bsSymmetry=null;this.atomSite=0;this.elementSymbol=null;this.elementNumber=-1;this.atomName=null;this.formalCharge=-2147483648;this.partialCharge=NaN;this.vib=null;this.bfactor=NaN;this.foccupancy=1;this.radius=NaN;this.isHetero=!1;this.atomSerial=-2147483648;this.chainID=0;this.bondRadius=NaN;this.altLoc="\x00";this.group3=null;this.sequenceNumber=-2147483648;this.insertionCode="\x00";this.tensors=this.anisoBorU=null;this.ignoreSymmetry=!1;this.typeSymbol=null;n(this,arguments)},J.adapter.smarter, +"Atom",JU.P3,Cloneable);c(c$,"addTensor",function(a,b,d){if(null==a)return null;if(d||null==this.tensors)this.tensors=new JU.Lst;this.tensors.addLast(a);null!=b&&a.setType(b);return a},"JU.Tensor,~S,~B");r(c$,function(){K(this,J.adapter.smarter.Atom,[]);this.set(NaN,NaN,NaN)});c(c$,"getClone",function(){var a;try{a=this.clone()}catch(b){if(G(b,CloneNotSupportedException))return null;throw b;}null!=this.vib&&(a.vib=q(this.vib,JU.Vibration)?this.vib.clone():JU.V3.newV(a.vib));null!=this.anisoBorU&& +(a.anisoBorU=JU.AU.arrayCopyF(this.anisoBorU,-1));if(null!=this.tensors){a.tensors=new JU.Lst;for(var d=this.tensors.size();0<=--d;)a.tensors.addLast(this.tensors.get(d).copyTensor())}return a});c(c$,"getElementSymbol",function(){if(null==this.elementSymbol&&null!=this.atomName){for(var a=this.atomName.length,b=0,d=String.fromCharCode(0);b=a&&0>J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)-65]},"~S");c$.isValidSym2=c(c$,"isValidSym2",function(a,b){return"A"<=a&&"Z">=a&&"a"<=b&&"z">=b&&0!=(J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)-65]>>b.charCodeAt(0)-97&1)},"~S,~S");c$.isValidSymNoCase=c(c$,"isValidSymNoCase", +function(a,b){return J.adapter.smarter.Atom.isValidSym2(a,"a">b?String.fromCharCode(b.charCodeAt(0)+32):b)},"~S,~S");c$.isValidSymChar1=c(c$,"isValidSymChar1",function(a){return"A"<=a&&"Z">=a&&0!=J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)-65]},"~S");c(c$,"copyTo",function(a,b){var d=b.newCloneAtom(this);d.setT(a);return d},"JU.P3,J.adapter.smarter.AtomSetCollection");F(c$,"elementCharMasks",z(-1,[1972292,-2147351151,-2146019271,-2130706430,1441792,-2147348464,25,-2147205008,-2147344384, +0,-2147352576,1179905,548936,-2147434213,-2147221504,-2145759221,0,1056947,-2147339946,-2147477097,-2147483648,-2147483648,-2147483648,8388624,-2147483646,139264]))});s("J.adapter.smarter");u(["J.api.JmolAdapterAtomIterator"],"J.adapter.smarter.AtomIterator",["java.lang.Float","J.api.JmolAdapter"],function(){c$=t(function(){this.iatom=0;this.atom=null;this.ac=0;this.bsAtoms=this.atoms=null;n(this,arguments)},J.adapter.smarter,"AtomIterator",null,J.api.JmolAdapterAtomIterator);r(c$,function(a){this.ac= +a.ac;this.atoms=a.atoms;this.bsAtoms=a.bsAtoms;this.iatom=0},"J.adapter.smarter.AtomSetCollection");j(c$,"hasNext",function(){if(this.iatom==this.ac)return!1;for(;null==(this.atom=this.atoms[this.iatom++])||null!=this.bsAtoms&&!this.bsAtoms.get(this.atom.index);)if(this.iatom==this.ac)return!1;this.atoms[this.iatom-1]=null;return!0});j(c$,"getAtomSetIndex",function(){return this.atom.atomSetIndex});j(c$,"getSymmetry",function(){return this.atom.bsSymmetry});j(c$,"getAtomSite",function(){return this.atom.atomSite+ +1});j(c$,"getUniqueID",function(){return Integer.$valueOf(this.atom.index)});j(c$,"getElementNumber",function(){return 0b.desiredVibrationNumber;a=new java.util.Properties;a.put("PATH_KEY",".PATH");a.put("PATH_SEPARATOR",J.adapter.smarter.SmarterJmolAdapter.PATH_SEPARATOR);this.setInfo("properties",a);b=null==b?null:b.htParams.get("appendToModelIndex");null!=b&&this.setInfo("appendToModelIndex",b);if(null!=d){g=0;this.readerList=new JU.Lst;for(b=0;b=a)){for(var b=Array(a),d=0a?this.iSet+ +1:1E6*(a+1)+b.atomSetNumbers[e]}for(g=0;ga[g].atomSetIndex)return;d[a[g].atomSetIndex].addLast(a[g])}for(g=this.atomSetCount;0<=--g;)for(var c=d[g].size();0<=--c;)a[--b]=d[g].get(c)},"~A,~N");c(c$,"reverseObject",function(a){for(var b=this.atomSetCount,d=y(b/2);0<=--d;)JU.AU.swap(a,d,b-1-d)},"~A");c$.reverseList=c(c$,"reverseList",function(a){null!=a&&java.util.Collections.reverse(a)},"JU.Lst");c(c$,"reverseArray",function(a){for(var b=this.atomSetCount,d=y(b/2);0<=--d;)JU.AU.swapInt(a, +d,b-1-d)},"~A");c(c$,"getList",function(a){var b;for(b=this.ac;0<=--b&&!(null!=this.atoms[b]&&"\x00"!=(a?this.atoms[b].altLoc:this.atoms[b].insertionCode)););if(!(0>b)){var d=Array(this.atomSetCount);for(b=0;bd[g=this.atoms[b].atomSetIndex].indexOf(c))d[g]+=c}a=a?"altLocs":"insertionCodes";for(b=0;bthis.iSet)){var a=this.atomSetAtomIndexes[this.iSet];null!= +this.bsAtoms&&this.bsAtoms.clearBits(a,this.ac);this.ac=a;this.atomSetAtomCounts[this.iSet]=0;this.iSet--;this.atomSetCount--;this.reader.doCheckUnitCell=!1}});c(c$,"getHydrogenAtomCount",function(){for(var a=0,b=0;ba.atomIndex1||0>a.atomIndex2||0>a.order||a.atomIndex1==a.atomIndex2||this.atoms[a.atomIndex1].atomSetIndex!=this.atoms[a.atomIndex2].atomSetIndex?JU.Logger.debugging&&JU.Logger.debug(">>>>>>BAD BOND:"+a.atomIndex1+"-"+a.atomIndex2+" order="+a.order):(this.bondCount==this.bonds.length&&(this.bonds=JU.AU.arrayCopyObject(this.bonds, +this.bondCount+1024)),this.bonds[this.bondCount++]=a,this.atomSetBondCounts[this.iSet]++))},"J.adapter.smarter.Bond");c(c$,"finalizeStructures",function(){if(0!=this.structureCount){this.bsStructuredModels=new JU.BS;for(var a=new java.util.Hashtable,b=0;ba-b;)a+=1;return a},"~N,~N");c(c$,"finalizeTrajectoryAs",function(a,b){this.trajectorySteps=a;this.vibrationSteps=b;this.trajectoryStepCount=a.size();this.finalizeTrajectory()},"JU.Lst,JU.Lst");c(c$,"finalizeTrajectory",function(){if(0!=this.trajectoryStepCount){var a=this.trajectorySteps.get(0),b=null==this.vibrationSteps?null:this.vibrationSteps.get(0),d=null==this.bsAtoms?this.ac:this.bsAtoms.cardinality();if(null!=this.vibrationSteps&&null!=b&&b.lengththis.atomSetNumbers.length&&(this.atomSetAtomIndexes=JU.AU.doubleLengthI(this.atomSetAtomIndexes),this.atomSetAtomCounts=JU.AU.doubleLengthI(this.atomSetAtomCounts),this.atomSetBondCounts=JU.AU.doubleLengthI(this.atomSetBondCounts),this.atomSetAuxiliaryInfo=JU.AU.doubleLength(this.atomSetAuxiliaryInfo));this.atomSetAtomIndexes[this.iSet]= -this.ac;this.atomSetCount+this.trajectoryStepCount>this.atomSetNumbers.length&&(this.atomSetNumbers=JU.AU.doubleLengthI(this.atomSetNumbers));this.isTrajectory?this.atomSetNumbers[this.iSet+this.trajectoryStepCount]=this.atomSetCount+this.trajectoryStepCount:this.atomSetNumbers[this.iSet]=this.atomSetCount;a&&this.atomSymbolicMap.clear();this.setCurrentModelInfo("title",this.collectionName)},"~B");c(c$,"getAtomSetAtomIndex",function(a){0>a&&System.out.println("??");return this.atomSetAtomIndexes[a]}, +this.ac;this.atomSetCount+this.trajectoryStepCount>this.atomSetNumbers.length&&(this.atomSetNumbers=JU.AU.doubleLengthI(this.atomSetNumbers));this.isTrajectory?this.atomSetNumbers[this.iSet+this.trajectoryStepCount]=this.atomSetCount+this.trajectoryStepCount:this.atomSetNumbers[this.iSet]=this.atomSetCount;a&&(this.atomSymbolicMap.clear(),this.atomMapAnyCase=!1);this.setCurrentModelInfo("title",this.collectionName)},"~B");c(c$,"getAtomSetAtomIndex",function(a){0>a&&System.out.println("??");return this.atomSetAtomIndexes[a]}, "~N");c(c$,"getAtomSetAtomCount",function(a){return this.atomSetAtomCounts[a]},"~N");c(c$,"getAtomSetBondCount",function(a){return this.atomSetBondCounts[a]},"~N");c(c$,"setAtomSetName",function(a){if(null!=a)if(this.isTrajectory)this.setTrajectoryName(a);else{var b=0>this.iSet?null:this.getAtomSetName(this.iSet);this.setModelInfoForSet("name",a,this.iSet);null!=this.reader&&(0d&&(d=this.iSet);var g=this.getAtomSetAuxiliaryInfoValue(d,"atomProperties");null== +function(a,b){this.setAtomSetModelPropertyForSet(a,b,this.iSet)},"~S,~S");c(c$,"setAtomSetModelPropertyForSet",function(a,b,d){var g=this.getAtomSetAuxiliaryInfoValue(d,"modelProperties");null==g&&this.setModelInfoForSet("modelProperties",g=new java.util.Properties,d);g.put(a,b);a.startsWith(".")&&g.put(a.substring(1),b)},"~S,~S,~N");c(c$,"setAtomProperties",function(a,b,d){q(b,String)&&!b.endsWith("\n")&&(b+="\n");0>d&&(d=this.iSet);var g=this.getAtomSetAuxiliaryInfoValue(d,"atomProperties");null== g&&this.setModelInfoForSet("atomProperties",g=new java.util.Hashtable,d);g.put(a,b)},"~S,~O,~N,~B");c(c$,"setAtomSetPartialCharges",function(a){if(!this.atomSetAuxiliaryInfo[this.iSet].containsKey(a))return!1;a=this.getAtomSetAuxiliaryInfoValue(this.iSet,a);for(var b=a.size();0<=--b;)this.atoms[b].partialCharge=a.get(b).floatValue();return!0},"~S");c(c$,"getAtomSetAuxiliaryInfoValue",function(a,b){return this.atomSetAuxiliaryInfo[0<=a?a:this.iSet].get(b)},"~N,~S");c(c$,"setCurrentModelInfo",function(a, b){this.setModelInfoForSet(a,b,this.iSet)},"~S,~O");c(c$,"setModelInfoForSet",function(a,b,d){0>d||(null==this.atomSetAuxiliaryInfo[d]&&(this.atomSetAuxiliaryInfo[d]=new java.util.Hashtable),null==b?this.atomSetAuxiliaryInfo[d].remove(a):this.atomSetAuxiliaryInfo[d].put(a,b))},"~S,~O,~N");c(c$,"getAtomSetNumber",function(a){return this.atomSetNumbers[a>=this.atomSetCount?0:a]},"~N");c(c$,"getAtomSetName",function(a){if(null!=this.trajectoryNames&&a=this.atomSetCount&&(a=this.atomSetCount-1);return this.getAtomSetAuxiliaryInfoValue(a,"name")},"~N");c(c$,"getAtomSetAuxiliaryInfo",function(a){a=a>=this.atomSetCount?this.atomSetCount-1:a;return 0>a?null:this.atomSetAuxiliaryInfo[a]},"~N");c(c$,"setAtomSetEnergy",function(a,b){0>this.iSet||(JU.Logger.info("Energy for model "+(this.iSet+1)+" = "+a),this.setCurrentModelInfo("EnergyString",a),this.setCurrentModelInfo("Energy",Float.$valueOf(b)),this.setAtomSetModelProperty("Energy",""+b))},"~S,~N"); c(c$,"setAtomSetFrequency",function(a,b,d,g,c){this.setAtomSetModelProperty("FreqValue",g);g+=" "+(null==c?"cm^-1":c);c=(null==d?"":d+" ")+g;this.setAtomSetName(c);this.setAtomSetModelProperty("Frequency",g);this.setAtomSetModelProperty("Mode",""+a);this.setModelInfoForSet("vibrationalMode",Integer.$valueOf(a),this.iSet);null!=d&&this.setAtomSetModelProperty("FrequencyLabel",d);this.setAtomSetModelProperty(".PATH",(null==b?"":b+J.adapter.smarter.SmarterJmolAdapter.PATH_SEPARATOR+"Frequencies")+"Frequencies"); -return c},"~N,~S,~S,~S,~S");c(c$,"getBondList",function(){for(var a=Array(this.bondCount),b=0;b=g;)a.add(this.atoms[c]);a.scale(1/d);for(c=g+d;--c>=g;)this.atoms[c].sub(a)}}); +return c},"~N,~S,~S,~S,~S");c(c$,"getBondList",function(){for(var a=Array(this.bondCount),b=0;b=g;)a.add(this.atoms[c]);a.scale(1/d);for(c=g+d;--c>=g;)this.atoms[c].sub(a)}}); c(c$,"mergeTrajectories",function(a){if(this.isTrajectory&&a.isTrajectory&&null==this.vibrationSteps){for(var b=0;b=this.lastModelNumber},"~N");c(c$,"appendLoadNote",function(a){null==a?this.loadNote=new JU.SB:(this.loadNote.append(a).append("\n"),JU.Logger.info(a))},"~S");c(c$,"initializeTrajectoryFile",function(){this.asc.addAtom(new J.adapter.smarter.Atom);this.trajectorySteps=this.htParams.get("trajectorySteps");null==this.trajectorySteps&&this.htParams.put("trajectorySteps",this.trajectorySteps=new JU.Lst)}); -c(c$,"finalizeSubclassReader",function(){});c(c$,"finalizeReaderASCR",function(){this.isFinalized=!0;if(0d&&(d=b.indexOf("metadata"));0<=d&&(b=b.substring(0,d));b=JU.PT.rep(JU.PT.replaceAllCharacters(b,"{}","").trim(),"\n","\n ")+"\n\nUse SHOW DOMAINS for details.";this.appendLoadNote("\nDomains loaded:\n "+b);for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b),a.put("domains",this.domains)}if(null!=this.validation)for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b), -a.put("validation",this.validation);if(null!=this.dssr){a.put("dssrJSON",Boolean.TRUE);for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b),a.put("dssr",this.dssr)}}}this.fixJavaFloat||this.asc.setInfo("legacyJavaFloat",Boolean.TRUE);this.setLoadNote()});c(c$,"setLoadNote",function(){var a=this.loadNote.toString();0this.asc.bsAtoms.nextSetBit(0))&&0>b.indexOf("DataOnly")&&null==this.asc.atomSetInfo.get("dataOnly"))return"No atoms found\nfor file "+this.filePath+"\ntype "+a;this.fixBaseIndices();return this.asc});c(c$,"setError",function(a){var b;b=a.getMessage?a.getMessage(): -a.toString();this.asc.errorMessage=null==this.line?"Error reading file at end of file \n"+b:"Error reading file at line "+this.ptLine+":\n"+this.line+"\n"+b;a.printStackTrace()},"Throwable");c(c$,"initialize",function(){this.htParams.containsKey("baseAtomIndex")&&(this.baseAtomIndex=this.htParams.get("baseAtomIndex").intValue());this.initializeSymmetry();this.vwr=this.htParams.remove("vwr");this.htParams.containsKey("stateScriptVersionInt")&&(this.stateScriptVersionInt=this.htParams.get("stateScriptVersionInt").intValue()); -var a=this.htParams.get("packingError");null!=a?this.packingError=a.floatValue():null!=this.htParams.get("legacyJavaFloat")&&(this.fixJavaFloat=!1);this.merging=this.htParams.containsKey("merging");this.getHeader=this.htParams.containsKey("getHeader");this.isSequential=this.htParams.containsKey("isSequential");this.readerName=this.htParams.get("readerName");this.htParams.containsKey("outputChannel")&&(this.out=this.htParams.get("outputChannel"));this.htParams.containsKey("vibrationNumber")?this.desiredVibrationNumber= -this.htParams.get("vibrationNumber").intValue():this.htParams.containsKey("modelNumber")&&(this.desiredModelNumber=this.htParams.get("modelNumber").intValue());this.applySymmetryToBonds=this.htParams.containsKey("applySymmetryToBonds");this.bsFilter=this.requiresBSFilter?this.htParams.get("bsFilter"):null;this.setFilter(null);this.fillRange=this.htParams.get("fillRange");null!=this.strSupercell&&!this.checkFilterKey("NOPACK")&&(this.forcePacked=!0);a=this.htParams.get("supercell");p(a,JU.P3)?(a=this.ptSupercell= -a,this.strSupercell=B(a.x)+"a,"+B(a.y)+"b,"+B(a.z)+"c"):p(a,String)&&(this.strSupercell=a);a=this.htParams.containsKey("ptFile")?this.htParams.get("ptFile").intValue():-1;this.isTrajectory=this.htParams.containsKey("isTrajectory");0this.firstLastStep[0]&&(this.firstLastStep[0]=0);if(0==this.firstLastStep[2]|| -this.firstLastStep[1]this.firstLastStep[2]&&(this.firstLastStep[2]=1);this.bsModels=JU.BSUtil.newAndSetBit(this.firstLastStep[0]);if(this.firstLastStep[1]>this.firstLastStep[0])for(a=this.firstLastStep[0];a<=this.firstLastStep[1];a+=this.firstLastStep[2])this.bsModels.set(a)}if(null!=this.bsModels&&(null==this.firstLastStep||-1!=this.firstLastStep[1]))this.lastModelNumber=this.bsModels.length();this.symmetryRange=this.htParams.containsKey("symmetryRange")? -this.htParams.get("symmetryRange").floatValue():0;this.initializeSymmetryOptions();this.htParams.containsKey("spaceGroupIndex")&&(this.desiredSpaceGroupIndex=this.htParams.get("spaceGroupIndex").intValue(),-2==this.desiredSpaceGroupIndex&&(this.sgName=this.htParams.get("spaceGroupName")),this.ignoreFileSpaceGroupName=-2==this.desiredSpaceGroupIndex||0<=this.desiredSpaceGroupIndex,this.ignoreFileSymmetryOperators=-1!=this.desiredSpaceGroupIndex);this.htParams.containsKey("unitCellOffset")&&(this.fileScaling= -JU.P3.new3(1,1,1),this.fileOffset=this.htParams.get("unitCellOffset"),this.fileOffsetFractional=JU.P3.newP(this.fileOffset),this.unitCellOffsetFractional=this.htParams.containsKey("unitCellOffsetFractional"));this.htParams.containsKey("unitcell")&&(a=this.htParams.get("unitcell"),this.merging&&this.setFractionalCoordinates(!0),9==a.length?(this.addExplicitLatticeVector(0,a,0),this.addExplicitLatticeVector(1,a,3),this.addExplicitLatticeVector(2,a,6)):this.setUnitCell(a[0],a[1],a[2],a[3],a[4],a[5]), -this.ignoreFileUnitCell=this.iHaveUnitCell,this.merging&&!this.iHaveUnitCell&&this.setFractionalCoordinates(!1));this.domains=this.htParams.get("domains");this.validation=this.htParams.get("validation");this.dssr=this.htParams.get("dssr");this.isConcatenated=this.htParams.containsKey("concatenate")});c(c$,"initializeSymmetryOptions",function(){this.latticeCells=A(4,0);this.doApplySymmetry=!1;var a=this.htParams.get("lattice");if(null==a||0==a.length()){if(!this.forcePacked&&null==this.strSupercell)return; -a=JU.P3.new3(1,1,1)}this.latticeCells[0]=B(a.x);this.latticeCells[1]=B(a.y);this.latticeCells[2]=B(a.z);p(a,JU.T4)&&(this.latticeCells[3]=B(a.w));if((this.doCentroidUnitCell=this.htParams.containsKey("centroid"))&&(-1==this.latticeCells[2]||0==this.latticeCells[2]))this.latticeCells[2]=1;a=this.forcePacked||this.htParams.containsKey("packed");this.centroidPacked=this.doCentroidUnitCell&&a;this.doPackUnitCell=!this.doCentroidUnitCell&&(a||0>this.latticeCells[2]);this.doApplySymmetry=0b.toUpperCase().indexOf(this.nameRequired))return!1;var d=null==this.bsModels?1>this.desiredModelNumber||a==this.desiredModelNumber:a>this.lastModelNumber?!1:0this.firstLastStep[1]&&(2>this.firstLastStep[2]||0==(a-1-this.firstLastStep[0])%this.firstLastStep[2]); -d&&0==this.desiredModelNumber&&this.discardPreviousAtoms();this.haveModel=(new Boolean(this.haveModel|d)).valueOf();d&&(this.doProcessLines=!0);return d},"~N,~S");c(c$,"discardPreviousAtoms",function(){this.asc.discardPreviousAtoms()});c(c$,"initializeSymmetry",function(){this.previousSpaceGroup=this.sgName;this.previousUnitCell=this.unitCellParams;this.iHaveUnitCell=this.ignoreFileUnitCell;if(!this.ignoreFileUnitCell){this.unitCellParams=I(26,0);for(var a=25;0<=--a;)this.unitCellParams[a]=NaN;this.unitCellParams[25]= -this.latticeScaling;this.symmetry=null}this.ignoreFileSpaceGroupName||(this.sgName="unspecified!");this.doCheckUnitCell=!1});c(c$,"newAtomSet",function(a){0<=this.asc.iSet?(this.asc.newAtomSet(),this.asc.setCollectionName("")):this.asc.setCollectionName(a);this.asc.setModelInfoForSet("name",a,Math.max(0,this.asc.iSet));this.asc.setAtomSetName(a)},"~S");c(c$,"cloneLastAtomSet",function(a,b){var d=this.asc.getLastAtomSetAtomCount();this.asc.cloneLastAtomSetFromPoints(a, -b);this.asc.haveUnitCell&&(this.doCheckUnitCell=this.iHaveUnitCell=!0,this.sgName=this.previousSpaceGroup,this.unitCellParams=this.previousUnitCell);return d},"~N,~A");c(c$,"setSpaceGroupName",function(a){this.ignoreFileSpaceGroupName||null==a||(a=a.trim(),a.equals(this.sgName)||(a.equals("P1")||JU.Logger.info("Setting space group name to "+a),this.sgName=a))},"~S");c(c$,"setSymmetryOperator",function(a){if(this.ignoreFileSymmetryOperators)return-1;var b=this.asc.getXSymmetry().addSpaceGroupOperation(a, -!0);0>b&&JU.Logger.warn("Skippings symmetry operation "+a);this.iHaveSymmetryOperators=!0;return b},"~S");c(c$,"initializeCartesianToFractional",function(){for(var a=0;16>a;a++)if(!Float.isNaN(this.unitCellParams[6+a]))return;for(a=0;16>a;a++)this.unitCellParams[6+a]=0==a%5?1:0;this.nMatrixElements=0});c(c$,"clearUnitCell",function(){if(!this.ignoreFileUnitCell){for(var a=6;22>a;a++)this.unitCellParams[a]=NaN;this.checkUnitCell(6)}});c(c$,"setUnitCellItem",function(a,b){if(!this.ignoreFileUnitCell&& -!(0==a&&1==b&&!this.checkFilterKey("TOPOS")||3==a&&0==b))!Float.isNaN(b)&&(6<=a&&Float.isNaN(this.unitCellParams[6]))&&this.initializeCartesianToFractional(),this.unitCellParams[a]=b,this.debugging&&JU.Logger.debug("setunitcellitem "+a+" "+b),6>a||Float.isNaN(b)?this.iHaveUnitCell=this.checkUnitCell(6):12==++this.nMatrixElements&&(this.iHaveUnitCell=this.checkUnitCell(22))},"~N,~N");c(c$,"setUnitCell",function(a,b,d,g,c,e){this.ignoreFileUnitCell||(this.clearUnitCell(),this.unitCellParams[0]=a,this.unitCellParams[1]= -b,this.unitCellParams[2]=d,0!=g&&(this.unitCellParams[3]=g),0!=c&&(this.unitCellParams[4]=c),0!=e&&(this.unitCellParams[5]=e),this.iHaveUnitCell=this.checkUnitCell(6))},"~N,~N,~N,~N,~N,~N");c(c$,"addExplicitLatticeVector",function(a,b,d){if(!this.ignoreFileUnitCell){if(0==a)for(var g=0;6>g;g++)this.unitCellParams[g]=0;a=6+3*a;this.unitCellParams[a++]=b[d++];this.unitCellParams[a++]=b[d++];this.unitCellParams[a]=b[d];if(Float.isNaN(this.unitCellParams[0]))for(a=0;6>a;a++)this.unitCellParams[a]=-1; -this.iHaveUnitCell=this.checkUnitCell(15)}},"~N,~A,~N");c(c$,"checkUnitCell",function(a){for(var b=0;bb?null:this.filter.substring(b+a.length,this.filter.indexOf(";",b))},"~S");c(c$,"checkFilterKey",function(a){return null!=this.filter&&0<=this.filter.indexOf(a)},"~S");c(c$,"filterAtom",function(a,b){if(!this.haveAtomFilter)return!0;var d=this.checkFilter(a,this.filter1);null!=this.filter2&&(d=(new Boolean(d|this.checkFilter(a, -this.filter2))).valueOf());d&&this.filterEveryNth&&(d=0==this.nFiltered++%this.filterN);this.bsFilter.setBitTo(0<=b?b:this.asc.ac,d);return d},"J.adapter.smarter.Atom,~N");c(c$,"checkFilter",function(a,b){return(!this.filterGroup3||null==a.group3||!this.filterReject(b,"[",a.group3.toUpperCase()+"]"))&&(!this.filterAtomName||this.allowAtomName(a.atomName,b))&&(null==this.filterAtomTypeStr||null==a.atomName||0<=a.atomName.toUpperCase().indexOf("\x00"+this.filterAtomTypeStr))&&(!this.filterElement|| -null==a.elementSymbol||!this.filterReject(b,"_",a.elementSymbol.toUpperCase()+";"))&&(!this.filterChain||0==a.chainID||!this.filterReject(b,":",""+this.vwr.getChainIDStr(a.chainID)))&&(!this.filterAltLoc||"\x00"==a.altLoc||!this.filterReject(b,"%",""+a.altLoc))&&(!this.filterHetero||!this.allowPDBFilter||!this.filterReject(b,"HETATM",a.isHetero?"-Y":"-N"))},"J.adapter.smarter.Atom,~S");c(c$,"rejectAtomName",function(a){return this.filterAtomName&&!this.allowAtomName(a,this.filter)},"~S");c(c$,"allowAtomName", -function(a,b){return null==a||!this.filterReject(b,".",a.toUpperCase()+this.filterAtomNameTerminator)},"~S,~S");c(c$,"filterReject",function(a,b,d){return 0<=a.indexOf(b)&&0<=a.indexOf("!"+b)==0<=a.indexOf(b+d)},"~S,~S,~S");c(c$,"set2D",function(){this.asc.setInfo("is2D",Boolean.TRUE);this.checkFilterKey("NOMIN")||this.asc.setInfo("doMinimize",Boolean.TRUE)});c(c$,"doGetVibration",function(a){return this.addVibrations&&(0>=this.desiredVibrationNumber||a==this.desiredVibrationNumber)},"~N");c(c$,"setTransform", -function(a,b,d,g,c,e,h,k,l){null==this.matRot&&this.doSetOrientation&&(this.matRot=new JU.M3,a=JU.V3.new3(a,b,d),a.normalize(),this.matRot.setColumnV(0,a),a.set(g,c,e),a.normalize(),this.matRot.setColumnV(1,a),a.set(h,k,l),a.normalize(),this.matRot.setColumnV(2,a),this.asc.setInfo("defaultOrientationMatrix",JU.M3.newM3(this.matRot)),g=JU.Quat.newM(this.matRot),this.asc.setInfo("defaultOrientationQuaternion",g),JU.Logger.info("defaultOrientationMatrix = "+this.matRot))},"~N,~N,~N,~N,~N,~N,~N,~N,~N"); +null;this.latticeScaling=NaN;this.unitCellOffset=this.fileOffsetFractional=this.fileOffset=null;this.unitCellOffsetFractional=!1;this.paramsLattice=this.moreUnitCellInfo=null;this.paramsPacked=this.paramsCentroid=!1;this.fileName=this.filePath=null;this.baseBondIndex=this.baseAtomIndex=0;this.stateScriptVersionInt=2147483647;this.haveModel=this.isFinalized=!1;this.previousUnitCell=this.previousSpaceGroup=null;this.nMatrixElements=0;this.filter=this.bsFilter=this.matUnitCellOrientation=this.ucItems= +null;this.filterAtomType=this.filterAtomName=this.filterChain=this.filterGroup3=this.filterAltLoc=this.haveAtomFilter=!1;this.filterAtomTypeStr=null;this.filterAtomNameTerminator=";";this.filterEveryNth=this.filterHetero=this.filterElement=!1;this.filterSymop=null;this.nFiltered=this.filterN=0;this.reverseModels=this.doReadMolecularOrbitals=this.allowPDBFilter=this.isDSSP1=this.ignoreStructure=this.useAltNames=this.addVibrations=this.doCentralize=this.doSetOrientation=!1;this.nameRequired=null;this.centroidPacked= +this.doCentroidUnitCell=!1;this.strSupercell=null;this.allow_a_len_1=!1;this.ms=this.matRot=this.filter2=this.filter1=null;this.vibsFractional=!1;this.siteScript=this.previousScript=null;n(this,arguments)},J.adapter.smarter,"AtomSetCollectionReader",null,javajs.api.GenericLineReader);O(c$,function(){this.next=z(1,0);this.loadNote=new JU.SB});c(c$,"setup",function(a,b,d){this.setupASCR(a,b,d)},"~S,java.util.Map,~O");c(c$,"setupASCR",function(a,b,d){null!=a&&(this.debugging=JU.Logger.debugging,this.htParams= +b,this.filePath=""+b.get("fullPathName"),a=this.filePath.lastIndexOf("/"),this.fileName=this.filePath.substring(a+1),q(d,java.io.BufferedReader)?this.reader=d:q(d,javajs.api.GenericBinaryDocument)&&(this.binaryDoc=d))},"~S,java.util.Map,~O");c(c$,"readData",function(){this.initialize();this.asc=new J.adapter.smarter.AtomSetCollection(this.readerName,this,null,null);try{this.initializeReader();if(null==this.binaryDoc)for(null==this.line&&this.continuing&&this.rd();null!=this.line&&this.continuing;)this.checkLine()&& +this.rd();else this.binaryDoc.setOutputChannel(this.out),this.processBinaryDocument();this.finalizeSubclassReader();this.isFinalized||this.finalizeReaderASCR()}catch(a){JU.Logger.info("Reader error: "+a),a.printStackTrace(),this.setError(a)}null!=this.reader&&this.reader.close();null!=this.binaryDoc&&this.binaryDoc.close();return this.finish()});c(c$,"fixBaseIndices",function(){try{var a=this.htParams.get("baseModelIndex").intValue();this.baseAtomIndex+=this.asc.ac;this.baseBondIndex+=this.asc.bondCount; +a+=this.asc.atomSetCount;this.htParams.put("baseAtomIndex",Integer.$valueOf(this.baseAtomIndex));this.htParams.put("baseBondIndex",Integer.$valueOf(this.baseBondIndex));this.htParams.put("baseModelIndex",Integer.$valueOf(a))}catch(b){if(!G(b,Exception))throw b;}});c(c$,"readDataObject",function(a){this.initialize();this.asc=new J.adapter.smarter.AtomSetCollection(this.readerName,this,null,null);this.initializeReader();this.processDOM(a);return this.finish()},"~O");c(c$,"processDOM",function(){},"~O"); +c(c$,"processBinaryDocument",function(){});c(c$,"initializeReader",function(){});c(c$,"checkLine",function(){return!0});c(c$,"checkLastModel",function(){if(this.isLastModel(this.modelNumber)&&this.doProcessLines)return this.continuing=this.doProcessLines=!1;this.doProcessLines=!1;return!0});c(c$,"isLastModel",function(a){return 0=this.lastModelNumber},"~N");c(c$,"appendLoadNote",function(a){null==a?this.loadNote=new JU.SB:(this.loadNote.append(a).append("\n"),JU.Logger.info(a))}, +"~S");c(c$,"initializeTrajectoryFile",function(){this.asc.addAtom(new J.adapter.smarter.Atom);this.trajectorySteps=this.htParams.get("trajectorySteps");null==this.trajectorySteps&&this.htParams.put("trajectorySteps",this.trajectorySteps=new JU.Lst)});c(c$,"finalizeSubclassReader",function(){});c(c$,"finalizeReaderASCR",function(){this.isFinalized=!0;if(0d&&(d=b.indexOf("metadata"));0<=d&&(b=b.substring(0,d));b=JU.PT.rep(JU.PT.replaceAllCharacters(b, +"{}","").trim(),"\n","\n ")+"\n\nUse SHOW DOMAINS for details.";this.appendLoadNote("\nDomains loaded:\n "+b);for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b),a.put("domains",this.domains)}if(null!=this.validation)for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b),a.put("validation",this.validation);if(null!=this.dssr){a.put("dssrJSON",Boolean.TRUE);for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b),a.put("dssr",this.dssr)}}}this.fixJavaFloat|| +this.asc.setInfo("legacyJavaFloat",Boolean.TRUE);this.setLoadNote()});c(c$,"setLoadNote",function(){var a=this.loadNote.toString();0this.asc.bsAtoms.nextSetBit(0))&&0>b.indexOf("DataOnly")&&null==this.asc.atomSetInfo.get("dataOnly"))return"No atoms found\nfor file "+this.filePath+"\ntype "+a;this.fixBaseIndices();return this.asc});c(c$,"setError",function(a){var b=a.getMessage();this.asc.errorMessage=null==this.line?"Error reading file at end of file \n"+b:"Error reading file at line "+this.ptLine+":\n"+this.line+"\n"+b;a.printStackTrace()},"Throwable");c(c$,"initialize",function(){this.htParams.containsKey("baseAtomIndex")&& +(this.baseAtomIndex=this.htParams.get("baseAtomIndex").intValue());this.htParams.containsKey("baseBondIndex")&&(this.baseBondIndex=this.htParams.get("baseBondIndex").intValue());this.initializeSymmetry();this.vwr=this.htParams.remove("vwr");this.htParams.containsKey("stateScriptVersionInt")&&(this.stateScriptVersionInt=this.htParams.get("stateScriptVersionInt").intValue());var a=this.htParams.get("packingError");null!=a?this.packingError=a.floatValue():null!=this.htParams.get("legacyJavaFloat")&& +(this.fixJavaFloat=!1);this.merging=this.htParams.containsKey("merging");this.getHeader=this.htParams.containsKey("getHeader");this.isSequential=this.htParams.containsKey("isSequential");this.readerName=this.htParams.get("readerName");this.htParams.containsKey("outputChannel")&&(this.out=this.htParams.get("outputChannel"));this.htParams.containsKey("vibrationNumber")?this.desiredVibrationNumber=this.htParams.get("vibrationNumber").intValue():this.htParams.containsKey("modelNumber")&&(this.desiredModelNumber= +this.htParams.get("modelNumber").intValue());this.applySymmetryToBonds=this.htParams.containsKey("applySymmetryToBonds");this.bsFilter=this.requiresBSFilter?this.htParams.get("bsFilter"):null;this.setFilter(null);this.fillRange=this.htParams.get("fillRange");null!=this.strSupercell&&!this.checkFilterKey("NOPACK")&&(this.forcePacked=!0);a=this.htParams.get("supercell");q(a,JU.P3)?(a=this.ptSupercell=a,this.strSupercell=A(a.x)+"a,"+A(a.y)+"b,"+A(a.z)+"c"):q(a,String)&&(this.strSupercell=a);a=this.htParams.containsKey("ptFile")? +this.htParams.get("ptFile").intValue():-1;this.isTrajectory=this.htParams.containsKey("isTrajectory");0this.firstLastStep[0]&&(this.firstLastStep[0]=0);if(0==this.firstLastStep[2]||this.firstLastStep[1]this.firstLastStep[2]&&(this.firstLastStep[2]=1); +this.bsModels=JU.BSUtil.newAndSetBit(this.firstLastStep[0]);if(this.firstLastStep[1]>this.firstLastStep[0])for(a=this.firstLastStep[0];a<=this.firstLastStep[1];a+=this.firstLastStep[2])this.bsModels.set(a)}if(null!=this.bsModels&&(null==this.firstLastStep||-1!=this.firstLastStep[1]))this.lastModelNumber=this.bsModels.length();this.symmetryRange=this.htParams.containsKey("symmetryRange")?this.htParams.get("symmetryRange").floatValue():0;this.paramsLattice=this.htParams.get("lattice");this.paramsCentroid= +this.htParams.containsKey("centroid");this.paramsPacked=this.htParams.containsKey("packed");this.initializeSymmetryOptions();this.htParams.containsKey("spaceGroupIndex")&&(this.desiredSpaceGroupIndex=this.htParams.get("spaceGroupIndex").intValue(),-2==this.desiredSpaceGroupIndex&&(this.sgName=this.htParams.get("spaceGroupName")),this.ignoreFileSpaceGroupName=-2==this.desiredSpaceGroupIndex||0<=this.desiredSpaceGroupIndex,this.ignoreFileSymmetryOperators=-1!=this.desiredSpaceGroupIndex);this.htParams.containsKey("unitCellOffset")&& +(this.fileScaling=JU.P3.new3(1,1,1),this.fileOffset=this.htParams.get("unitCellOffset"),this.fileOffsetFractional=JU.P3.newP(this.fileOffset),this.unitCellOffsetFractional=this.htParams.containsKey("unitCellOffsetFractional"));this.htParams.containsKey("unitcell")&&(a=this.htParams.get("unitcell"),this.merging&&this.setFractionalCoordinates(!0),9==a.length?(this.addExplicitLatticeVector(0,a,0),this.addExplicitLatticeVector(1,a,3),this.addExplicitLatticeVector(2,a,6)):this.setUnitCell(a[0],a[1],a[2], +a[3],a[4],a[5]),this.ignoreFileUnitCell=this.iHaveUnitCell,this.merging&&!this.iHaveUnitCell&&this.setFractionalCoordinates(!1));this.domains=this.htParams.get("domains");this.validation=this.htParams.get("validation");this.dssr=this.htParams.get("dssr");this.isConcatenated=this.htParams.containsKey("concatenate")});c(c$,"initializeSymmetryOptions",function(){this.latticeCells=z(4,0);this.doApplySymmetry=!1;var a=this.paramsLattice;if(null==a||0==a.length()){if(!this.forcePacked&&null==this.strSupercell)return; +a=JU.P3.new3(1,1,1)}this.latticeCells[0]=A(a.x);this.latticeCells[1]=A(a.y);this.latticeCells[2]=A(a.z);q(a,JU.T4)&&(this.latticeCells[3]=A(a.w));if((this.doCentroidUnitCell=this.paramsCentroid)&&(-1==this.latticeCells[2]||0==this.latticeCells[2]))this.latticeCells[2]=1;a=this.forcePacked||this.paramsPacked;this.centroidPacked=this.doCentroidUnitCell&&a;this.doPackUnitCell=!this.doCentroidUnitCell&&(a||0>this.latticeCells[2]);this.doApplySymmetry=0b.toUpperCase().indexOf(this.nameRequired))return!1;var d=null==this.bsModels?1>this.desiredModelNumber||a==this.desiredModelNumber:a>this.lastModelNumber?!1:0this.firstLastStep[1]&&(2>this.firstLastStep[2]||0==(a-1-this.firstLastStep[0])%this.firstLastStep[2]);d&&0==this.desiredModelNumber&&this.discardPreviousAtoms(); +this.haveModel=(new Boolean(this.haveModel|d)).valueOf();d&&(this.doProcessLines=!0);return d},"~N,~S");c(c$,"discardPreviousAtoms",function(){this.asc.discardPreviousAtoms()});c(c$,"initializeSymmetry",function(){this.previousSpaceGroup=this.sgName;this.previousUnitCell=this.unitCellParams;this.iHaveUnitCell=this.ignoreFileUnitCell;if(!this.ignoreFileUnitCell){this.unitCellParams=H(26,0);for(var a=25;0<=--a;)this.unitCellParams[a]=NaN;this.unitCellParams[25]=this.latticeScaling;this.symmetry=null}this.ignoreFileSpaceGroupName|| +(this.sgName="unspecified!");this.doCheckUnitCell=!1});c(c$,"newAtomSet",function(a){0<=this.asc.iSet?(this.asc.newAtomSet(),this.asc.setCollectionName("")):this.asc.setCollectionName(a);this.asc.setModelInfoForSet("name",a,Math.max(0,this.asc.iSet));this.asc.setAtomSetName(a)},"~S");c(c$,"cloneLastAtomSet",function(a,b){var d=this.asc.getLastAtomSetAtomCount();this.asc.cloneLastAtomSetFromPoints(a,b);this.asc.haveUnitCell&&(this.doCheckUnitCell=this.iHaveUnitCell= +!0,this.sgName=this.previousSpaceGroup,this.unitCellParams=this.previousUnitCell);return d},"~N,~A");c(c$,"setSpaceGroupName",function(a){this.ignoreFileSpaceGroupName||null==a||(a=a.trim(),0==a.length||(a.equals("HM:")||a.equals(this.sgName))||(a.equals("P1")||JU.Logger.info("Setting space group name to "+a),this.sgName=a))},"~S");c(c$,"setSymmetryOperator",function(a){if(this.ignoreFileSymmetryOperators)return-1;var b=this.asc.getXSymmetry().addSpaceGroupOperation(a,!0);0>b&&JU.Logger.warn("Skippings symmetry operation "+ +a);this.iHaveSymmetryOperators=!0;return b},"~S");c(c$,"initializeCartesianToFractional",function(){for(var a=0;16>a;a++)if(!Float.isNaN(this.unitCellParams[6+a]))return;for(a=0;16>a;a++)this.unitCellParams[6+a]=0==a%5?1:0;this.nMatrixElements=0});c(c$,"clearUnitCell",function(){if(!this.ignoreFileUnitCell){for(var a=6;22>a;a++)this.unitCellParams[a]=NaN;this.checkUnitCell(6)}});c(c$,"setUnitCellItem",function(a,b){this.ignoreFileUnitCell||(0==a&&1==b&&!this.allow_a_len_1||3==a&&0==b?(null==this.ucItems&& +(this.ucItems=H(6,0)),this.ucItems[a]=b):(null!=this.ucItems&&6>a&&(this.ucItems[a]=b),!Float.isNaN(b)&&(6<=a&&Float.isNaN(this.unitCellParams[6]))&&this.initializeCartesianToFractional(),this.unitCellParams[a]=b,this.debugging&&JU.Logger.debug("setunitcellitem "+a+" "+b),6>a||Float.isNaN(b)?this.iHaveUnitCell=this.checkUnitCell(6):12==++this.nMatrixElements&&(this.iHaveUnitCell=this.checkUnitCell(22))))},"~N,~N");c(c$,"setUnitCell",function(a,b,d,g,c,e){this.ignoreFileUnitCell||(this.clearUnitCell(), +this.unitCellParams[0]=a,this.unitCellParams[1]=b,this.unitCellParams[2]=d,0!=g&&(this.unitCellParams[3]=g),0!=c&&(this.unitCellParams[4]=c),0!=e&&(this.unitCellParams[5]=e),this.iHaveUnitCell=this.checkUnitCell(6))},"~N,~N,~N,~N,~N,~N");c(c$,"addExplicitLatticeVector",function(a,b,d){if(!this.ignoreFileUnitCell){if(0==a)for(var g=0;6>g;g++)this.unitCellParams[g]=0;a=6+3*a;this.unitCellParams[a++]=b[d++];this.unitCellParams[a++]=b[d++];this.unitCellParams[a]=b[d];if(Float.isNaN(this.unitCellParams[0]))for(a= +0;6>a;a++)this.unitCellParams[a]=-1;this.iHaveUnitCell=this.checkUnitCell(15)}},"~N,~A,~N");c(c$,"checkUnitCell",function(a){for(var b=0;bb?null:this.filter.substring(b+a.length,this.filter.indexOf(";", +b))},"~S");c(c$,"checkFilterKey",function(a){return null!=this.filter&&0<=this.filter.indexOf(a)},"~S");c(c$,"checkAndRemoveFilterKey",function(a){if(!this.checkFilterKey(a))return!1;this.filter=JU.PT.rep(this.filter,a,"");3>this.filter.length&&(this.filter=null);return!0},"~S");c(c$,"filterAtom",function(a,b){if(!this.haveAtomFilter)return!0;var d=this.checkFilter(a,this.filter1);null!=this.filter2&&(d=(new Boolean(d|this.checkFilter(a,this.filter2))).valueOf());d&&this.filterEveryNth&&(d=0==this.nFiltered++% +this.filterN);this.bsFilter.setBitTo(0<=b?b:this.asc.ac,d);return d},"J.adapter.smarter.Atom,~N");c(c$,"checkFilter",function(a,b){return(!this.filterGroup3||null==a.group3||!this.filterReject(b,"[",a.group3.toUpperCase()+"]"))&&(!this.filterAtomName||this.allowAtomName(a.atomName,b))&&(null==this.filterAtomTypeStr||null==a.atomName||0<=a.atomName.toUpperCase().indexOf("\x00"+this.filterAtomTypeStr))&&(!this.filterElement||null==a.elementSymbol||!this.filterReject(b,"_",a.elementSymbol.toUpperCase()+ 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-D(c$,"HELIX",4,[3,4294901888]);D(c$,"DNA",5,[4,4289593598]);D(c$,"RNA",6,[5,4294771042]);D(c$,"CARBOHYDRATE",7,[6,4289111802]);D(c$,"HELIX310",8,[7,4288675968]);D(c$,"HELIXALPHA",9,[8,4294901888]);D(c$,"HELIXPI",10,[9,4284481664]);D(c$,"ANNOTATION",11,[-2,0])});u("J.c");x(["java.lang.Enum"],"J.c.VDW",null,function(){c$=t(function(){this.pt=0;this.type2=this.type=null;s(this,arguments)},J.c,"VDW",Enum);n(c$,function(a,b,d){this.pt=a;this.type=b;this.type2=d},"~N,~S,~S");c(c$,"getVdwLabel",function(){return null== -this.type?this.type2:this.type});c$.getVdwType=c(c$,"getVdwType",function(a){if(null!=a)for(var b,d=0,g=J.c.VDW.values();d=c)this.line3d.plotLineDeltaOld(z.getColorArgbOrGray(a),z.getColorArgbOrGray(b),e,h,k,this.dxB,this.dyB,this.dzB,this.clipped);else{l=0==d&&(this.clipped||2==g||0==g);this.diameter=c;this.xA=e;this.yA=h;this.zA=k;this.endcaps=g;this.shadesA=z.getShades(this.colixA=a);this.shadesB=z.getShades(this.colixB=b);this.calcArgbEndcap(!0, -!1);this.calcCosSin(this.dxB,this.dyB,this.dzB);this.calcPoints(3,!1);this.interpolate(0,1,this.xyzfRaster,this.xyztRaster);this.interpolate(1,2,this.xyzfRaster,this.xyztRaster);k=this.xyzfRaster;2==g&&this.renderFlatEndcap(!0,!1,k);z.setZMargin(5);a=z.width;b=z.zbuf;c=k[0];e=k[1];h=k[2];k=k[3];j=z.pixel;for(m=this.rasterCount;0<=--m;)w=k[m]>>8,G=w>>1,K=c[m],q=e[m],p=h[m],this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(z.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+K,this.yEndcap+q,this.zEndcap- -p-1,a,b,j),z.plotPixelClippedArgb(this.argbEndcap,this.xEndcap-K,this.yEndcap-q,this.zEndcap+p-1,a,b,j)):(z.plotPixelUnclipped(this.argbEndcap,this.xEndcap+K,this.yEndcap+q,this.zEndcap-p-1,a,b,j),z.plotPixelUnclipped(this.argbEndcap,this.xEndcap-K,this.yEndcap-q,this.zEndcap+p-1,a,b,j))),this.line3d.plotLineDeltaAOld(this.shadesA,this.shadesB,d,w,this.xA+K,this.yA+q,this.zA-p,this.dxB,this.dyB,this.dzB,this.clipped),l&&this.line3d.plotLineDeltaOld(this.shadesA[G],this.shadesB[G],this.xA-K,this.yA- -q,this.zA+p,this.dxB,this.dyB,this.dzB,this.clipped);z.setZMargin(0);3==g&&this.renderSphericalEndcaps()}},"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"renderBitsFloat",function(a,b,d,g,c,e,h){var k=this.g3d;null==this.ptA0&&(this.ptA0=new JU.P3,this.ptB0=new JU.P3);this.ptA0.setT(e);var l=y(c/2)+1,j=Math.round(e.x),m=Math.round(e.y),q=Math.round(e.z),z=Math.round(h.x),w=Math.round(h.y),G=Math.round(h.z),K=k.clipCode3(j-l,m-l,q-l),j=k.clipCode3(j+l,m+l,q+l),m=k.clipCode3(z-l,w-l,G-l),l=k.clipCode3(z+ -l,w+l,G+l),z=K|j|m|l;this.clipped=0!=z;if(!(-1==z||0!=(K&l&j&m))){this.dxBf=h.x-e.x;this.dyBf=h.y-e.y;this.dzBf=h.z-e.z;0>8,j=G>>1,m=h[w],q=K[w],p=l[w];this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+m,this.yEndcap+q,this.zEndcap-p-1,a,b,c),k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap-m,this.yEndcap-q,this.zEndcap+p-1,a,b,c)):(k.plotPixelUnclipped(this.argbEndcap, -this.xEndcap+m,this.yEndcap+q,this.zEndcap-p-1,a,b,c),k.plotPixelUnclipped(this.argbEndcap,this.xEndcap-m,this.yEndcap-q,this.zEndcap+p-1,a,b,c)));this.ptA0.set(this.xA+m,this.yA+q,this.zA-p);this.ptB0.setT(this.ptA0);this.ptB0.x+=this.dxB;this.ptB0.y+=this.dyB;this.ptB0.z+=this.dzB;this.line3d.plotLineDeltaABitsFloat(this.shadesA,this.shadesB,G,this.ptA0,this.ptB0,d,this.clipped);e&&(this.ptA0.set(this.xA-m,this.yA-q,this.zA+p),this.ptB0.setT(this.ptA0),this.ptB0.x+=this.dxB,this.ptB0.y+=this.dyB, -this.ptB0.z+=this.dzB,this.line3d.plotLineDeltaABitsFloat(this.shadesA,this.shadesB,j,this.ptA0,this.ptB0,d,this.clipped))}k.setZMargin(0);3==g&&this.renderSphericalEndcaps();this.xAf+=this.dxBf;this.yAf+=this.dyBf;this.zAf+=this.dzBf}},"~N,~N,~N,~N,~N,JU.P3,JU.P3");c(c$,"renderBits",function(a,b,d,g,c,e,h){var k=this.g3d;if(0==c||1==c)this.line3d.plotLineBits(k.getColorArgbOrGray(a),k.getColorArgbOrGray(b),e,h,0,0,!1);else{this.ptA0i.setT(e);var l=y(c/2)+1,j=e.x,m=e.y,q=e.z,z=h.x,w=h.y,G=h.z,K=k.clipCode3(j- -l,m-l,q-l),j=k.clipCode3(j+l,m+l,q+l),m=k.clipCode3(z-l,w-l,G-l),l=k.clipCode3(z+l,w+l,G+l),z=K|j|m|l;this.clipped=0!=z;if(!(-1==z||0!=(K&l&j&m))){this.dxBf=h.x-e.x;this.dyBf=h.y-e.y;this.dzBf=h.z-e.z;0>8,j=G>>1,m=h[w],q=K[w],p=l[w];this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+m,this.yEndcap+q,this.zEndcap-p-1,a,b,c),k.plotPixelClippedArgb(this.argbEndcap, -this.xEndcap-m,this.yEndcap-q,this.zEndcap+p-1,a,b,c)):(k.plotPixelUnclipped(this.argbEndcap,this.xEndcap+m,this.yEndcap+q,this.zEndcap-p-1,a,b,c),k.plotPixelUnclipped(this.argbEndcap,this.xEndcap-m,this.yEndcap-q,this.zEndcap+p-1,a,b,c)));this.ptA0i.set(this.xA+m,this.yA+q,this.zA-p);this.ptB0i.setT(this.ptA0i);this.ptB0i.x+=this.dxB;this.ptB0i.y+=this.dyB;this.ptB0i.z+=this.dzB;this.line3d.plotLineDeltaABitsInt(this.shadesA,this.shadesB,G,this.ptA0i,this.ptB0i,d,this.clipped);e&&(this.ptA0i.set(this.xA- -m,this.yA-q,this.zA+p),this.ptB0i.setT(this.ptA0i),this.ptB0i.x+=this.dxB,this.ptB0i.y+=this.dyB,this.ptB0i.z+=this.dzB,this.line3d.plotLineDeltaABitsInt(this.shadesA,this.shadesB,j,this.ptA0i,this.ptB0i,d,this.clipped))}k.setZMargin(0);3==g&&this.renderSphericalEndcaps();this.xAf+=this.dxBf;this.yAf+=this.dyBf;this.zAf+=this.dzBf}}},"~N,~N,~N,~N,~N,JU.P3i,JU.P3i");c(c$,"renderConeOld",function(a,b,d,g,c,e,h,k,l,j,m){this.dxBf=h-(this.xAf=g);this.dyBf=k-(this.yAf=c);this.dzBf=l-(this.zAf=e);this.xA= -y(Math.floor(this.xAf));this.yA=y(Math.floor(this.yAf));this.zA=y(Math.floor(this.zAf));this.dxB=y(Math.floor(this.dxBf));this.dyB=y(Math.floor(this.dyBf));this.dzB=y(Math.floor(this.dzBf));this.xTip=h;this.yTip=k;this.zTip=l;this.shadesA=this.g3d.getShades(this.colixA=a);var q=this.shader.getShadeIndex(this.dxB,this.dyB,-this.dzB);a=this.g3d;g=a.pixel;c=a.width;e=a.zbuf;a.plotPixelClippedArgb(this.shadesA[q],B(h),B(k),B(l),c,e,g);this.diameter=d;if(1>=d)1==d&&this.line3d.plotLineDeltaOld(this.colixA, -this.colixA,this.xA,this.yA,this.zA,this.dxB,this.dyB,this.dzB,this.clipped);else{this.endcaps=b;this.calcArgbEndcap(!1,!0);this.generateBaseEllipsePrecisely(m);!m&&2==this.endcaps&&this.renderFlatEndcap(!1,!0,this.xyzfRaster);a.setZMargin(5);b=this.xyztRaster[0];d=this.xyztRaster[1];h=this.xyztRaster[2];k=this.xyzfRaster[3];l=this.shadesA;for(var q=this.endCapHidden&&0!=this.argbEndcap,z=this.rasterCount;0<=--z;){var w=b[z],G=d[z],K=h[z],p=k[z]>>8,s=this.xAf+w,n=this.yAf+G,u=this.zAf-K,w=this.xAf- -w,G=this.yAf-G,K=this.zAf+K,t=l[0];q&&(a.plotPixelClippedArgb(this.argbEndcap,B(s),B(n),B(u),c,e,g),a.plotPixelClippedArgb(this.argbEndcap,B(w),B(G),B(K),c,e,g));0!=t&&(this.line3d.plotLineDeltaAOld(l,l,0,p,B(s),B(n),B(u),y(Math.ceil(this.xTip-s)),y(Math.ceil(this.yTip-n)),y(Math.ceil(this.zTip-u)),!0),j&&(this.line3d.plotLineDeltaAOld(l,l,0,p,B(s),B(n)+1,B(u),y(Math.ceil(this.xTip-s)),y(Math.ceil(this.yTip-n))+1,y(Math.ceil(this.zTip-u)),!0),this.line3d.plotLineDeltaAOld(l,l,0,p,B(s)+1,B(n),B(u), -y(Math.ceil(this.xTip-s))+1,y(Math.ceil(this.yTip-n)),y(Math.ceil(this.zTip-u)),!0)),!m&&!(2!=this.endcaps&&0=b[0].length)for(;this.rasterCount>=b[0].length;){for(var g=4;0<=--g;)b[g]=JU.AU.doubleLengthI(b[g]);d[3]=JU.AU.doubleLengthF(d[3])}if(a)for(;this.rasterCount>=d[0].length;)for(g=3;0<=--g;)d[g]=JU.AU.doubleLengthF(d[g]);return this.rasterCount++},"~B,~A,~A");c(c$,"interpolate",function(a,b,d,g){var c=d[0],e=d[1],c=c[b]-c[a];0>c&&(c=-c);e=e[b]-e[a];0>e&&(e=-e);if(!(1>=c+e)){for(var h=this.allocRaster(!1, -d,g),c=d[0],e=d[1],k=d[3],l=g[3][a],j=g[3][b],m=4;0<=--m;){var q=(l+j)/2;this.calcRotatedPoint(q,h,!1,d,g);if(c[h]==c[a]&&e[h]==e[a])k[a]=k[a]+k[h]>>>1,l=q;else if(c[h]==c[b]&&e[h]==e[b])k[b]=k[b]+k[h]>>>1,j=q;else{this.interpolate(a,h,d,g);this.interpolate(h,b,d,g);return}}c[h]=c[a];e[h]=e[b]}},"~N,~N,~A,~A");c(c$,"interpolatePrecisely",function(a,b,d,g){var c=g[0],e=g[1],h=y(Math.floor(c[b]))-y(Math.floor(c[a]));0>h&&(h=-h);e=y(Math.floor(e[b]))-y(Math.floor(e[a]));0>e&&(e=-e);if(!(1>=h+e)){for(var e= -g[3],h=e[a],k=e[b],l=this.allocRaster(!0,d,g),c=g[0],e=g[1],j=d[3],m=4;0<=--m;){var q=(h+k)/2;this.calcRotatedPoint(q,l,!0,d,g);if(y(Math.floor(c[l]))==y(Math.floor(c[a]))&&y(Math.floor(e[l]))==y(Math.floor(e[a])))j[a]=j[a]+j[l]>>>1,h=q;else if(y(Math.floor(c[l]))==y(Math.floor(c[b]))&&y(Math.floor(e[l]))==y(Math.floor(e[b])))j[b]=j[b]+j[l]>>>1,k=q;else{this.interpolatePrecisely(a,l,d,g);this.interpolatePrecisely(l,b,d,g);return}}c[l]=c[a];e[l]=e[b]}},"~N,~N,~A,~A");c(c$,"renderFlatEndcap",function(a, -b,d){var g,c;if(b){if(0==this.dzBf||!this.g3d.setC(this.colixEndcap))return;b=this.xAf;g=this.yAf;c=this.zAf;a&&0>this.dzBf&&(b+=this.dxBf,g+=this.dyBf,c+=this.dzBf);b=B(b);g=B(g);c=B(c)}else{if(0==this.dzB||!this.g3d.setC(this.colixEndcap))return;b=this.xA;g=this.yA;c=this.zA;a&&0>this.dzB&&(b+=this.dxB,g+=this.dyB,c+=this.dzB)}var e=d[1][0];a=d[1][0];var h=0,k=0,l=d[0],j=d[1];d=d[2];for(var m=this.rasterCount;0<--m;){var q=j[m];qa?a=q:(q=-q,qa&&(a=q))}for(q=e;q<=a;++q){for(var e= -2147483647,z=-2147483648,m=this.rasterCount;0<=--m;){if(j[m]==q){var w=l[m];wz&&(z=w,k=d[m])}j[m]==-q&&(w=-l[m],wz&&(z=w,k=-d[m]))}m=z-e+1;this.g3d.setColorNoisy(this.endcapShadeIndex);this.g3d.plotPixelsClippedRaster(m,b+e,g+q,c-h-1,c-k-1,null,null)}},"~B,~B,~A");c(c$,"renderSphericalEndcaps",function(){0!=this.colixA&&this.g3d.setC(this.colixA)&&this.g3d.fillSphereXYZ(this.diameter,this.xA,this.yA,this.zA+1);0!=this.colixB&&this.g3d.setC(this.colixB)&&this.g3d.fillSphereXYZ(this.diameter, -this.xA+this.dxB,this.yA+this.dyB,this.zA+this.dzB+1)});c(c$,"calcArgbEndcap",function(a,b){this.tEvenDiameter=0==(this.diameter&1);this.radius=this.diameter/2;this.radius2=this.radius*this.radius;this.endCapHidden=!1;var d=b?this.dzBf:this.dzB;if(!(3==this.endcaps||0==d)){this.xEndcap=this.xA;this.yEndcap=this.yA;this.zEndcap=this.zA;var g=b?this.dxBf:this.dxB,c=b?this.dyBf:this.dyB;0<=d||!a?(this.endcapShadeIndex=this.shader.getShadeIndex(-g,-c,d),this.colixEndcap=this.colixA,d=this.shadesA):(this.endcapShadeIndex= -this.shader.getShadeIndex(g,c,-d),this.colixEndcap=this.colixB,d=this.shadesB,this.xEndcap+=this.dxB,this.yEndcap+=this.dyB,this.zEndcap+=this.dzB);56>24&15){case 0:d=g;a=c;break;case 1:d=(g<<2)+(g<<1)+g+d>>3&16711935;a=(c<<2)+ +(c<<1)+c+a>>3&65280;break;case 2:d=(g<<1)+g+d>>2&16711935;a=(c<<1)+c+a>>2&65280;break;case 3:d=(g<<2)+g+(d<<1)+d>>3&16711935;a=(c<<2)+c+(a<<1)+a>>3&65280;break;case 4:d=d+g>>1&16711935;a=a+ -c>>1&65280;break;case 5:d=(g<<1)+g+(d<<2)+d>>3&16711935;a=(c<<1)+c+(a<<2)+a>>3&65280;break;case 6:d=(d<<1)+d+g>>2&16711935;a=(a<<1)+a+c>>2&65280;break;case 7:d=(d<<2)+(d<<1)+d+g>>3&16711935,a=(a<<2)+(a<<1)+a+c>>3&65280}return 4278190080|d|a},"~N,~N,~N");j(c$,"getScreenImage",function(a){var b=this.platform.bufferedImage;a&&this.releaseBuffers();return b},"~B");j(c$,"applyAnaglygh",function(a,b){switch(a){case J.c.STER.REDCYAN:for(var d=this.anaglyphLength;0<=--d;){var g=this.anaglyphChannelBytes[d]& -255;this.pbuf[d]=this.pbuf[d]&4294901760|g<<8|g}break;case J.c.STER.CUSTOM:for(var g=b[0],c=b[1]&16777215,d=this.anaglyphLength;0<=--d;){var e=this.anaglyphChannelBytes[d]&255,e=(e|(e|e<<8)<<8)&c;this.pbuf[d]=this.pbuf[d]&g|e}break;case J.c.STER.REDBLUE:for(d=this.anaglyphLength;0<=--d;)g=this.anaglyphChannelBytes[d]&255,this.pbuf[d]=this.pbuf[d]&4294901760|g;break;case J.c.STER.REDGREEN:for(d=this.anaglyphLength;0<=--d;)this.pbuf[d]=this.pbuf[d]&4294901760|(this.anaglyphChannelBytes[d]&255)<<8}}, -"J.c.STER,~A");j(c$,"snapshotAnaglyphChannelBytes",function(){if(this.currentlyRendering)throw new NullPointerException;this.anaglyphLength=this.windowWidth*this.windowHeight;if(null==this.anaglyphChannelBytes||this.anaglyphChannelBytes.length!=this.anaglyphLength)this.anaglyphChannelBytes=P(this.anaglyphLength,0);for(var a=this.anaglyphLength;0<=--a;)this.anaglyphChannelBytes[a]=this.pbuf[a]});j(c$,"releaseScreenImage",function(){this.platform.clearScreenBufferThreaded()});j(c$,"haveTranslucentObjects", -function(){return this.$haveTranslucentObjects});j(c$,"setSlabAndZShade",function(a,b,d,g,c){this.setSlab(a);this.setDepth(b);d>2&1061109567)<<2,h=h+((h&3233857728)>>6),k=0,l=0,e=d;0<=--e;l+=c)for(d=b;0<=--d;++k){var j=(a[l]>>2&1061109567)+(a[l++ +c]>>2&1061109567)+(a[l]>>2&1061109567)+(a[l++ +c]>>2&1061109567),j=j+((j&3233857728)>>6);j==h&&(j=g);a[k]=j&16777215|4278190080}}, -"~A,~N,~N,~N");c$.downsample2dZ=c(c$,"downsample2dZ",function(a,b,d,g,c){for(var e=d<<1,h=0,k=0;0<=--g;k+=e)for(var l=d;0<=--l;++h,++k){var j=Math.min(b[k],b[k+e]),j=Math.min(j,b[++k]),j=Math.min(j,b[k+e]);2147483647!=j&&(j>>=1);b[h]=a[h]==c?2147483647:j}},"~A,~A,~N,~N,~N");c(c$,"hasContent",function(){return this.platform.hasContent()});j(c$,"setC",function(a){var b=JU.C.isColixLastAvailable(a);if(!b&&a==this.colixCurrent&&-1==this.currentShadeIndex)return!0;var d=a&30720;if(16384==d)return!1;this.renderLow&& -(d=0);var g=0!=d,c=g&&30720==d;this.setScreened(c);if(!this.checkTranslucent(g&&!c))return!1;this.isPass2?(this.translucencyMask=d<<13|16777215,this.translucencyLog=d>>11):this.translucencyLog=0;this.colixCurrent=a;b&&this.argbCurrent!=this.lastRawColor&&(0==this.argbCurrent&&(this.argbCurrent=4294967295),this.lastRawColor=this.argbCurrent,this.shader.setLastColix(this.argbCurrent,this.inGreyscaleMode));this.shadesCurrent=this.getShades(a);this.currentShadeIndex=-1;this.setColor(this.getColorArgbOrGray(a)); -return!0},"~N");c(c$,"setScreened",function(a){this.wasScreened!=a&&((this.wasScreened=a)?(null==this.pixelScreened&&(this.pixelScreened=new J.g3d.PixelatorScreened(this,this.pixel0)),null==this.pixel.p0?this.pixel=this.pixelScreened:this.pixel.p0=this.pixelScreened):null==this.pixel.p0||this.pixel===this.pixelScreened?this.pixel=this.isPass2?this.pixelT0:this.pixel0:this.pixel.p0=this.isPass2?this.pixelT0:this.pixel0);return this.pixel},"~B");j(c$,"drawFilledCircle",function(a,b,d,g,c,e){if(!this.isClippedZ(e)){var h= -y((d+1)/2),h=g=this.width||c=this.height;if(!h||!this.isClippedXY(d,g,c))0!=a&&this.setC(a)&&(h?this.isClippedXY(d,g,c)||this.circle3d.plotCircleCenteredClipped(g,c,e,d):this.circle3d.plotCircleCenteredUnclipped(g,c,e,d)),0!=b&&this.setC(b)&&(h?this.circle3d.plotFilledCircleCenteredClipped(g,c,e,d):this.circle3d.plotFilledCircleCenteredUnclipped(g,c,e,d))}},"~N,~N,~N,~N,~N,~N");j(c$,"volumeRender4",function(a,b,d,g){if(1==a)this.plotPixelClippedArgb(this.argbCurrent,b,d,g,this.width, -this.zbuf,this.pixel);else if(!this.isClippedZ(g)){var c=y((a+1)/2),c=b=this.width||d=this.height;if(!c||!this.isClippedXY(a,b,d))c?this.circle3d.plotFilledCircleCenteredClipped(b,d,g,a):this.circle3d.plotFilledCircleCenteredUnclipped(b,d,g,a)}},"~N,~N,~N,~N");j(c$,"fillSphereXYZ",function(a,b,d,g){switch(a){case 1:this.plotPixelClippedArgb(this.argbCurrent,b,d,g,this.width,this.zbuf,this.pixel);return;case 0:return}a<=(this.antialiasThisFrame?2E3:1E3)&&this.sphere3d.render(this.shadesCurrent, -a,b,d,g,null,null,null,-1,null)},"~N,~N,~N,~N");j(c$,"volumeRender",function(a){a?(this.saveAmbient=this.getAmbientPercent(),this.saveDiffuse=this.getDiffusePercent(),this.setAmbientPercent(100),this.setDiffusePercent(0),this.addRenderer(1073741880)):(this.setAmbientPercent(this.saveAmbient),this.setDiffusePercent(this.saveDiffuse))},"~B");j(c$,"fillSphereI",function(a,b){this.fillSphereXYZ(a,b.x,b.y,b.z)},"~N,JU.P3i");j(c$,"fillSphereBits",function(a,b){this.fillSphereXYZ(a,Math.round(b.x),Math.round(b.y), -Math.round(b.z))},"~N,JU.P3");j(c$,"fillEllipsoid",function(a,b,d,g,c,e,h,k,l,j,m){switch(e){case 1:this.plotPixelClippedArgb(this.argbCurrent,d,g,c,this.width,this.zbuf,this.pixel);return;case 0:return}e<=(this.antialiasThisFrame?2E3:1E3)&&this.sphere3d.render(this.shadesCurrent,e,d,g,c,h,k,l,j,m)},"JU.P3,~A,~N,~N,~N,~N,JU.M3,~A,JU.M4,~N,~A");j(c$,"drawRect",function(a,b,d,g,c,e){if(!(0!=g&&this.isClippedZ(g))){g=c-1;e-=1;c=a+g;var h=b+e;0<=b&&bg&&(a+=g,g=-g);0>a&&(g+=a,a=0);a+g>=this.width&&(g=this.width-1-a);var c=this.pixel,e=this.argbCurrent;a+=this.width*b;for(b=0;b<=g;b++)dg&&(b+=g,g=-g);0>b&&(g+=b,b=0);b+g>=this.height&&(g=this.height-1-b);a+=this.width*b;b=this.pixel;for(var c= -this.argbCurrent,e=0;e<=g;e++)da){c+=a;if(0>=c)return;a=0}if(a+c>g&&(c=g-a,0>=c))return;if(0>b){e+=b;if(0>=e)return;b=0}b+e>this.height&&(e=this.height-b);for(var h=this.argbCurrent,k=this.zbuf,l=this.pixel;0<=--e;)this.plotPixelsUnclippedCount(h,c,a,b++,d,g,k,l)}},"~N,~N,~N,~N,~N,~N");j(c$,"drawString",function(a,b,d,g,c,e,h){this.currentShadeIndex=0; -null!=a&&(this.isClippedZ(e)||this.drawStringNoSlab(a,b,d,g,c,h))},"~S,JU.Font,~N,~N,~N,~N,~N");j(c$,"drawStringNoSlab",function(a,b,d,g,c,e){if(null!=a){null==this.strings&&(this.strings=Array(10));this.stringCount==this.strings.length&&(this.strings=JU.AU.doubleLength(this.strings));var h=new J.g3d.TextString;h.setText(a,null==b?this.currentFont:this.currentFont=b,this.argbCurrent,JU.C.isColixTranslucent(e)?this.getColorArgbOrGray(e)&16777215|(e&30720)<<13:0,d,g,c);this.strings[this.stringCount++]= -h}},"~S,JU.Font,~N,~N,~N,~N");j(c$,"renderAllStrings",function(a){if(null!=this.strings){2<=this.stringCount&&(null==J.g3d.Graphics3D.sort&&(J.g3d.Graphics3D.sort=new J.g3d.TextString),java.util.Arrays.sort(this.strings,J.g3d.Graphics3D.sort));for(var b=0;b=a+h||a>=this.width||0>=b+k||b>=this.height))if(g=this.apiPlatform.drawImageToBuffer(null, -this.platform.offscreenImage,g,h,k,l?e:0),null!=g){var l=this.zbuf,j=this.width,m=this.pixel,q=this.height,z=this.translucencyLog;if(null==c&&0<=a&&a+h<=j&&0<=b&&b+k<=q){var w=0,G=0;for(a=b*j+a;wg||(this.plotPoints(a,b,c,e),this.plotPoints(a,b,c,e));else this.plotPoints(a,b,0,0)},"~N,~A,~N");j(c$,"drawDashedLineBits",function(a,b,d,g){this.isAntialiased()&& -(a+=a,b+=b);this.setScreeni(d,this.sA);this.setScreeni(g,this.sB);this.line3d.plotLineBits(this.argbCurrent,this.argbCurrent,this.sA,this.sB,a,b,!0);this.isAntialiased()&&(Math.abs(d.x-g.x)this.ht3)){var m=0;this.currentShadeIndex=0;this.setC(b)||(b=0);this.wasScreened&&(m=2);this.setC(a)||(a=0);this.wasScreened&&(m+=1);0==a&&0==b||this.cylinder3d.renderOld(a,b,m,d,g,c,e,h,k,l,j)}}, -"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");j(c$,"fillCylinderScreen3I",function(a,b,d,g){b<=this.ht3&&this.cylinder3d.renderOld(this.colixCurrent,this.colixCurrent,0,a,b,B(d.x),B(d.y),B(d.z),B(g.x),B(g.y),B(g.z))},"~N,~N,JU.P3,JU.P3,JU.P3,JU.P3,~N");j(c$,"fillCylinder",function(a,b,d,g){b<=this.ht3&&this.cylinder3d.renderOld(this.colixCurrent,this.colixCurrent,0,a,b,d.x,d.y,d.z,g.x,g.y,g.z)},"~N,~N,JU.P3i,JU.P3i");j(c$,"fillCylinderBits",function(a,b,d,g){b<=this.ht3&&(1!=d.z&&1!=g.z)&&(0==b||1==b?(this.setScreeni(d, -this.sA),this.setScreeni(g,this.sB),this.line3d.plotLineBits(this.getColorArgbOrGray(this.colixCurrent),this.getColorArgbOrGray(this.colixCurrent),this.sA,this.sB,0,0,!1)):this.cylinder3d.renderBitsFloat(this.colixCurrent,this.colixCurrent,0,a,b,d,g))},"~N,~N,JU.P3,JU.P3");j(c$,"fillCylinderBits2",function(a,b,d,g,c,e){if(!(g>this.ht3)){var h=0;this.currentShadeIndex=0;this.setC(b)||(b=0);this.wasScreened&&(h=2);this.setC(a)||(a=0);this.wasScreened&&(h+=1);0==a&&0==b||(this.setScreeni(c,this.sA), -this.setScreeni(e,this.sB),this.cylinder3d.renderBits(a,b,h,d,g,this.sA,this.sB))}},"~N,~N,~N,~N,JU.P3,JU.P3");j(c$,"fillConeScreen3f",function(a,b,d,c,f){b<=this.ht3&&this.cylinder3d.renderConeOld(this.colixCurrent,a,b,d.x,d.y,d.z,c.x,c.y,c.z,!0,f)},"~N,~N,JU.P3,JU.P3,~B");j(c$,"drawHermite4",function(a,b,d,c,f){this.hermite3d.renderHermiteRope(!1,a,0,0,0,b,d,c,f)},"~N,JU.P3,JU.P3,JU.P3,JU.P3");j(c$,"drawHermite7",function(a,b,d,c,f,e,h,k,l,j,m,q,z){if(0==z)this.hermite3d.renderHermiteRibbon(a,b, -d,c,f,e,h,k,l,j,m,q,0);else{this.hermite3d.renderHermiteRibbon(a,b,d,c,f,e,h,k,l,j,m,q,1);var w=this.colixCurrent;this.setC(z);this.hermite3d.renderHermiteRibbon(a,b,d,c,f,e,h,k,l,j,m,q,-1);this.setC(w)}},"~B,~B,~N,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,~N,~N");j(c$,"fillHermite",function(a,b,d,c,f,e,h,k){this.hermite3d.renderHermiteRope(!0,a,b,d,c,f,e,h,k)},"~N,~N,~N,~N,JU.P3,JU.P3,JU.P3,JU.P3");j(c$,"drawTriangle3C",function(a,b,d,c,f,e,h){1==(h&1)&&this.drawLine(b,c,a.x,a.y,a.z,d.x,d.y, -d.z);2==(h&2)&&this.drawLine(c,e,d.x,d.y,d.z,f.x,f.y,f.z);4==(h&4)&&this.drawLine(b,e,a.x,a.y,a.z,f.x,f.y,f.z)},"JU.P3i,~N,JU.P3i,~N,JU.P3i,~N,~N");j(c$,"fillTriangleTwoSided",function(a,b,d,c){this.setColorNoisy(this.getShadeIndex(a));this.fillTriangleP3f(b,d,c,!1)},"~N,JU.P3,JU.P3,JU.P3");c(c$,"fillTriangleP3f",function(a,b,d,c){this.setScreeni(a,this.sA);this.setScreeni(b,this.sB);this.setScreeni(d,this.sC);this.triangle3d.fillTriangle(this.sA,this.sB,this.sC,c)},"JU.P3,JU.P3,JU.P3,~B");j(c$,"fillTriangle3f", -function(a,b,d,c){var f=this.getShadeIndexP3(a,b,d,c);0>f||(c?this.setColorNoisy(f):this.setColor(this.shadesCurrent[f]),this.fillTriangleP3f(a,b,d,!1))},"JU.P3,JU.P3,JU.P3,~B");j(c$,"fillTriangle3i",function(a,b,d,c,f,e,h){h&&(c=this.vectorAB,c.set(b.x-a.x,b.y-a.y,b.z-a.z),null==d?c=this.shader.getShadeIndex(-c.x,-c.y,c.z):(this.vectorAC.set(d.x-a.x,d.y-a.y,d.z-a.z),c.cross(c,this.vectorAC),c=0<=c.z?this.shader.getShadeIndex(-c.x,-c.y,c.z):this.shader.getShadeIndex(c.x,c.y,-c.z)),56a?this.shadeIndexes2Sided[~a]:this.shadeIndexes[a]},"~N");c(c$,"setTriangleTranslucency", -function(a,b,d){this.isPass2&&(a&=14336,b&=14336,d&=14336,this.translucencyMask=(JU.GData.roundInt(y((a+b+d)/3))&30720)<<13|16777215)},"~N,~N,~N");j(c$,"fillQuadrilateral",function(a,b,d,c,f){f=this.getShadeIndexP3(a,b,d,f);0>f||(this.setColorNoisy(f),this.fillTriangleP3f(a,b,d,!1),this.fillTriangleP3f(a,d,c,!1))},"JU.P3,JU.P3,JU.P3,JU.P3,~B");j(c$,"drawSurface",function(){},"JU.MeshSurface,~N");j(c$,"plotPixelClippedP3i",function(a){this.plotPixelClippedArgb(this.argbCurrent,a.x,a.y,a.z,this.width, -this.zbuf,this.pixel)},"JU.P3i");c(c$,"plotPixelClippedArgb",function(a,b,d,c,f,e,h){this.isClipped3(b,d,c)||(b=d*f+b,cb||(b>=h||0>d||d>=k)||j.addImagePixel(f,m,d*h+b,c,a,e)},"~N,~N,~N,~N,~N,~N,~N,~N,~A,~O,~N");c(c$,"plotPixelsClippedRaster",function(a,b,d,c, -f,e,h){var k,l;if(!(0>=a||0>d||d>=this.height||b>=this.width||c<(l=this.slab)&&f(k=this.depth)&&f>k)){var j=this.zbuf,m=(b<<16)+(d<<1)^858993459,q=(c<<10)+512;c=f-c;f=y(a/2);c=JU.GData.roundInt(y(((c<<10)+(0<=c?f:-f))/a));if(0>b){b=-b;q+=c*b;a-=b;if(0>=a)return;b=0}a+b>this.width&&(a=this.width-b);b=d*this.width+b;d=this.pixel;if(null==e){e=this.argbNoisyDn;f=this.argbNoisyUp;for(var z=this.argbCurrent;0<=--a;){h=q>>10;if(h>=l&&h<=k&&h>16&7;d.addPixel(b, -h,0==w?e:1==w?f:z)}++b;q+=c}}else{m=e.r<<8;f=y((h.r-e.r<<8)/a);z=e.g;w=y((h.g-z)/a);e=e.b;for(var G=y((h.b-e)/a);0<=--a;)h=q>>10,h>=l&&(h<=k&&h>8&255),++b,q+=c,m+=f,z+=w,e+=G}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16");c(c$,"plotPixelsUnclippedRaster",function(a,b,d,c,f,e,h){if(!(0>=a)){var k=((b<<16)+(d<<1)^858993459)&2147483647,l=(c<<10)+512;c=f-c;f=y(a/2);c=JU.GData.roundInt(y(((c<<10)+(0<=c?f:-f))/a));b=d*this.width+b;d=this.zbuf;f=this.pixel; -if(null==e){e=this.argbNoisyDn;for(var j=this.argbNoisyUp,m=this.argbCurrent;0<=--a;){h=l>>10;if(h>16&7;f.addPixel(b,h,0==q?e:1==q?j:m)}++b;l+=c}}else{k=e.r<<8;j=JU.GData.roundInt(y((h.r-e.r<<8)/a));m=e.g;q=JU.GData.roundInt(y((h.g-m)/a));e=e.b;for(var z=JU.GData.roundInt(y((h.b-e)/a));0<=--a;)h=l>>10,h>8&255),++b,l+=c,k+=j,m+=q,e+=z}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16");c(c$,"plotPixelsClippedRasterBits", -function(a,b,d,c,f,e,h,k,l){var j,m;if(!(0>=a||0>d||d>=this.height||b>=this.width||c<(m=this.slab)&&f(j=this.depth)&&f>j)){c=this.zbuf;var q=(b<<16)+(d<<1)^858993459;if(0>b){a-=-b;if(0>=a)return;b=0}a+b>this.width&&(a=this.width-b);d=d*this.width+b;f=this.pixel;if(null==e){e=this.argbNoisyDn;for(var z=this.argbNoisyUp,w=this.argbCurrent;0<=--a;){h=this.line3d.getZCurrent(k,l,b++);if(h>=m&&h<=j&&h>16&7;f.addPixel(d,h,2>G?e:6>G?z:w)}++d}}else{q=e.r<< -8;z=y((h.r-e.r<<8)/a);w=e.g;G=y((h.g-w)/a);e=e.b;for(var K=y((h.b-e)/a);0<=--a;)h=this.line3d.getZCurrent(k,l,b++),h>=m&&(h<=j&&h>8&255),++d,q+=z,w+=G,e+=K}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16,~N,~N");c(c$,"plotPixelsUnclippedRasterBits",function(a,b,d,c,f,e,h){if(!(0>=a)){var k=((b<<16)+(d<<1)^858993459)&2147483647;d=d*this.width+b;var l=this.zbuf,j=this.pixel;if(null==c)for(var m=this.argbNoisyDn,q=this.argbNoisyUp,z=this.argbCurrent;0<=--a;)f= -this.line3d.getZCurrent(e,h,b++),f>16&7,j.addPixel(d,f,0==c?m:1==c?q:z)),++d;else{k=c.r<<8;m=JU.GData.roundInt(y((f.r-c.r<<8)/a));q=c.g;z=JU.GData.roundInt(y((f.g-q)/a));c=c.b;for(var w=JU.GData.roundInt(y((f.b-c)/a));0<=--a;)f=this.line3d.getZCurrent(e,h,b++),f>8&255),++d,k+=m,q+=z,c+=w}}},"~N,~N,~N,JU.Rgb16,JU.Rgb16,~N,~N");c(c$,"plotPixelsUnclippedCount",function(a,b,d,c,f,e,h,k){for(d=c*e+d;0<=--b;)f< -h[d]&&k.addPixel(d,f,a),++d},"~N,~N,~N,~N,~N,~N,~A,J.g3d.Pixelator");c(c$,"plotPoints",function(a,b,d,c){var f=this.pixel,e=this.argbCurrent,h=this.zbuf,k=this.width,l=this.antialiasThisFrame;for(a*=3;0a?a+1:63];this.argbNoisyDn=this.shadesCurrent[0a.z?this.shader.getShadeIndex(a.x,a.y,-a.z):c?-1:this.shader.getShadeIndex(-a.x,-a.y,a.z)},"JU.P3,JU.P3,JU.P3,~B");j(c$,"renderBackground",function(a){null!= -this.backgroundImage&&this.plotImage(-2147483648,0,-2147483648,this.backgroundImage,a,0,0,0)},"J.api.JmolRendererInterface");j(c$,"drawAtom",function(a){this.fillSphereXYZ(a.sD,a.sX,a.sY,a.sZ)},"JM.Atom,~N");j(c$,"getExportType",function(){return 0});j(c$,"getExportName",function(){return null});c(c$,"canDoTriangles",function(){return!0});c(c$,"isCartesianExport",function(){return!1});j(c$,"initializeExporter",function(){return null},"JV.Viewer,~N,JU.GData,java.util.Map");j(c$,"finalizeOutput",function(){return null}); -j(c$,"drawBond",function(){},"JU.P3,JU.P3,~N,~N,~N,~N,~N");j(c$,"drawEllipse",function(){return!1},"JU.P3,JU.P3,JU.P3,~B,~B");c(c$,"getPrivateKey",function(){return 0});j(c$,"clearFontCache",function(){J.g3d.TextRenderer.clearFontCache()});c(c$,"setRotationMatrix",function(a){for(var b=JU.Normix.getVertexVectors(),d=JU.GData.normixCount;0<=--d;){var c=this.transformedVectors[d];a.rotate2(b[d],c);this.shadeIndexes[d]=this.shader.getShadeB(c.x,-c.y,c.z);this.shadeIndexes2Sided[d]=0<=c.z?this.shadeIndexes[d]: -this.shader.getShadeB(-c.x,c.y,-c.z)}},"JU.M3");j(c$,"renderCrossHairs",function(a,b,d,c,f){b=this.isAntialiased();this.setC(0>f?10:100>=1;this.setC(a[1]c.x?21:11);this.drawRect(f+k,d,e,0, -k,b);this.setC(a[3]c.y?21:11);this.drawRect(f,d+k,e,0,b,k)},"~A,~N,~N,JU.P3,~N");j(c$,"initializeOutput",function(){return!1},"JV.Viewer,~N,java.util.Map");F(c$,"sort",null,"nullShadeIndex",50)});u("J.g3d");x(["J.g3d.PrecisionRenderer","java.util.Hashtable"],"J.g3d.LineRenderer",["java.lang.Float","JU.BS"],function(){c$=t(function(){this.lineBits=this.shader=this.g3d=null;this.slope=0;this.lineTypeX=!1;this.nBits=0;this.slopeKey=this.lineCache= -null;this.z2t=this.y2t=this.x2t=this.z1t=this.y1t=this.x1t=0;s(this,arguments)},J.g3d,"LineRenderer",J.g3d.PrecisionRenderer);O(c$,function(){this.lineCache=new java.util.Hashtable});n(c$,function(a){H(this,J.g3d.LineRenderer,[]);this.g3d=a;this.shader=a.shader},"J.g3d.Graphics3D");c(c$,"setLineBits",function(a,b){this.slope=0!=a?b/a:0<=b?3.4028235E38:-3.4028235E38;this.nBits=(this.lineTypeX=1>=this.slope&&-1<=this.slope)?this.g3d.width:this.g3d.height;this.slopeKey=Float.$valueOf(this.slope);if(this.lineCache.containsKey(this.slopeKey))this.lineBits= -this.lineCache.get(this.slopeKey);else{this.lineBits=JU.BS.newN(this.nBits);b=Math.abs(b);a=Math.abs(a);if(b>a){var d=a;a=b;b=d}for(var d=0,c=a+a,f=b+b,e=0;ea&&(this.lineBits.set(e),d-=c);this.lineCache.put(this.slopeKey,this.lineBits)}},"~N,~N");c(c$,"clearLineCache",function(){this.lineCache.clear()});c(c$,"plotLineOld",function(a,b,d,c,f,e,h,k){this.x1t=d;this.x2t=e;this.y1t=c;this.y2t=h;this.z1t=f;this.z2t=k;var l=!0;switch(this.getTrimmedLineImpl()){case 0:l=!1;break;case 2:return}this.plotLineClippedOld(a, -b,d,c,f,e-d,h-c,k-f,l,0,0)},"~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"plotLineDeltaOld",function(a,b,d,c,f,e,h,k,l){this.x1t=d;this.x2t=d+e;this.y1t=c;this.y2t=c+h;this.z1t=f;this.z2t=f+k;if(l)switch(this.getTrimmedLineImpl()){case 2:return;case 0:l=!1}this.plotLineClippedOld(a,b,d,c,f,e,h,k,l,0,0)},"~N,~N,~N,~N,~N,~N,~N,~N,~B");c(c$,"plotLineDeltaAOld",function(a,b,d,c,f,e,h,k,l,j,m){this.x1t=f;this.x2t=f+k;this.y1t=e;this.y2t=e+l;this.z1t=h;this.z2t=h+j;if(m)switch(this.getTrimmedLineImpl()){case 2:return; -case 0:m=!1}var q=this.g3d.zbuf,z=this.g3d.width,w=0,G=e*z+f,K=this.g3d.bufferSize,p=63>c?c+1:c,s=0k&&(k=-k,m=-1);0>l&&(l=-l,s=-z);z=k+k;e=l+l;h<<=10;if(l<=k){var x=k-1;0>j&&(x=-x);j=y(((j<<10)+x)/k);l=0;x=Math.abs(f-this.x2t)-1;f=Math.abs(f-this.x1t)-1;for(var v=k-1,A=y(v/ -2);--v>=x;){if(v==A){a=t;if(0==a)break;n=p;u=b;0!=d%3&&(c=this.g3d.setScreened(2==(d&2)),this.g3d.currentShadeIndex=0)}G+=m;h+=j;l+=e;l>k&&(G+=s,l-=z);if(0!=a&&vw){var B=h>>10;if(BC?u:170j&&(x=-x);j=y(((j<<10)+x)/l);k=0;x=Math.abs(v-this.y2t)-1;f=Math.abs(v-this.y1t)-1;v=l-1;for(A=y(v/2);--v>=x;){if(v==A){a=t;if(0==a)break;n=p;u=b;0!=d%3&&(c=this.g3d.setScreened(2==(d&2)),this.g3d.currentShadeIndex= -0)}G+=s;h+=j;k+=z;k>l&&(G+=m,k-=e);0!=a&&(vw)&&(B=h>>10,BC?u:170d?d+1:d,q=0m)&&(c=this.getZCurrent(this.a,this.b,s),cp?G:170t;)t+=this.nBits;this.lineBits.get(t%this.nBits)&&(q+=w)}}},"~A,~A,~N,JU.P3,JU.P3,~N,~B");c(c$,"plotLineDeltaABitsInt",function(a,b,d,c,f,e,h){var k=c.x,l=c.y,j=c.z,m=f.x,q=f.y,z=f.z,w=m-k,G=q-l;this.x1t=k;this.x2t= -m;this.y1t=l;this.y2t=q;this.z1t=j;this.z2t=z;if(!(h&&2==this.getTrimmedLineImpl())){h=this.g3d.zbuf;var p=this.g3d.width,m=0,z=63>d?d+1:d,q=0m)&&(c=this.getZCurrent(this.a,this.b,s),cp?G:170t;)t+=this.nBits;this.lineBits.get(t%this.nBits)&&(q+=w)}}},"~A,~A,~N,JU.P3i,JU.P3i,~N,~B");c(c$,"plotLineBits",function(a,b,d,c,f,e,h){if(!(1>= -d.z||1>=c.z)){var k=!0;this.x1t=d.x;this.y1t=d.y;this.z1t=d.z;this.x2t=c.x;this.y2t=c.y;this.z2t=c.z;switch(this.getTrimmedLineImpl()){case 2:return;case 0:k=!1;break;default:h&&(d.set(this.x1t,this.y1t,this.z1t),c.set(this.x2t,this.y2t,this.z2t))}h=this.g3d.zbuf;var l=this.g3d.width,j=0;0==f&&(e=2147483647,f=1);var m=d.x,q=d.y,z=d.z,w=c.x-m,p=m+w,K=c.y-q,s=q+K,n=q*l+m,t=this.g3d.bufferSize,u=this.g3d.pixel;0!=a&&(!k&&0<=n&&nw&&(w=-w, -k=-1);0>K&&(K=-K,z=-l,v=-1);var l=w+w,x=K+K;if(K<=w){this.setRastAB(d.x,d.z,c.x,c.z);q=0;d=Math.abs(p-this.x2t)-1;p=Math.abs(p-this.x1t)-1;s=w-1;for(c=y(s/2);--s>=d&&!(s==c&&(a=b,0==a));){n+=k;m+=k;q+=x;q>w&&(n+=z,q-=l);if(0!=a&&s=d&&!(s==c&&(a=b,0==a));)n+=z,q+=v,m+=l,m>K&&(n+=k,m-=x),0!= -a&&(se&&(e=-e,l=-1);0>h&&(h=-h,n=-z);z=e+e;c=h+h;f<<=10;if(h<=e){var u=e-1;0>k&&(u=-u);k=y(((k<<10)+u)/e);h=0;u=Math.abs(d-this.x2t)-1;d=Math.abs(d-this.x1t)-1;for(var t=e-1,v=y(t/2);--t>= -u&&!(t==v&&(a=b,0==a));){p+=l;f+=k;h+=c;h>e&&(p+=n,h-=z);if(0!=a&&t>10;xk&&(u=-u);k=y(((k<<10)+u)/h);e=0;u=Math.abs(t-this.y2t)-1;d=Math.abs(t-this.y1t)-1;t=h-1;for(v=y(t/2);--t>=u&&!(t==v&&(a=b,0==a));)p+=n,f+=k,e+=z,e>h&&(p+=l,e-=c),0!=a&&(t>10,xb&&(this.zb[a]=2147483647)},"~N,~N");c(c$,"addPixel",function(a,b,d){this.zb[a]=b;this.pb[a]=d},"~N,~N,~N");c(c$, -"addImagePixel",function(a,b,d,c,f,e){if(c=a&&(b=this.pb[d],0!=e&&(b=J.g3d.Graphics3D.mergeBufferPixel(b,e,e)),b=J.g3d.Graphics3D.mergeBufferPixel(b,f&16777215|a<<24,this.bgcolor),this.addPixel(d,c,b))}},"~N,~N,~N,~N,~N,~N")});u("J.g3d");x(["J.g3d.Pixelator"],"J.g3d.PixelatorT",["J.g3d.Graphics3D"],function(){c$=C(J.g3d,"PixelatorT",J.g3d.Pixelator);j(c$,"clearPixel",function(){},"~N,~N");j(c$,"addPixel",function(a, -b,d){var c=this.g.zbufT[a];if(bthis.g.zMargin)&&(this.pb[a]=J.g3d.Graphics3D.mergeBufferPixel(this.pb[a],f,this.g.bgcolor));this.g.zbufT[a]=b;this.g.pbufT[a]=d&this.g.translucencyMask}else b!=c&&!this.g.translucentCoverOnly&&b-c>this.g.zMargin&&(this.pb[a]=J.g3d.Graphics3D.mergeBufferPixel(this.pb[a],d&this.g.translucencyMask,this.g.bgcolor))},"~N,~N,~N")});u("J.g3d");x(["J.g3d.Pixelator"],"J.g3d.PixelatorShaded",null,function(){c$= -t(function(){this.tmp=this.bgRGB=null;this.zShadePower=this.zDepth=this.zSlab=0;s(this,arguments)},J.g3d,"PixelatorShaded",J.g3d.Pixelator);n(c$,function(a){H(this,J.g3d.PixelatorShaded,[a]);this.tmp=A(3,0)},"J.g3d.Graphics3D");c(c$,"set",function(a,b,d){this.bgcolor=this.g.bgcolor;this.bgRGB=A(-1,[this.bgcolor&255,this.bgcolor>>8&255,this.g.bgcolor>>16&255]);this.zSlab=0>a?0:a;this.zDepth=0>b?0:b;this.zShadePower=d;this.p0=this.g.pixel0;return this},"~N,~N,~N");j(c$,"addPixel",function(a,b,d){if(!(b> -this.zDepth)){if(b>=this.zSlab&&0>8;c[2]=d>>16;var e=(this.zDepth-b)/(this.zDepth-this.zSlab);if(1h;h++)c[h]=f[h]+B(e*((c[h]&255)-f[h]));d=c[2]<<16|c[1]<<8|c[0]|d&4278190080}this.p0.addPixel(a,b,d)}},"~N,~N,~N");c(c$,"showZBuffer",function(){for(var a=this.p0.zb.length;0<=--a;)if(0!=this.p0.pb[a]){var b=B(Math.min(255,Math.max(0,255*(this.zDepth-this.p0.zb[a])/(this.zDepth- -this.zSlab))));this.p0.pb[a]=4278190080|b|b<<8|b<<16}})});u("J.g3d");x(["J.g3d.Pixelator"],"J.g3d.PixelatorScreened",null,function(){c$=C(J.g3d,"PixelatorScreened",J.g3d.Pixelator);n(c$,function(a,b){H(this,J.g3d.PixelatorScreened,[a]);this.width=a.width;this.p0=b},"J.g3d.Graphics3D,J.g3d.Pixelator");j(c$,"addPixel",function(a,b,d){a%this.width%2==y(a/this.width)%2&&this.p0.addPixel(a,b,d)},"~N,~N,~N")});u("J.g3d");c$=t(function(){this.bufferSizeT=this.bufferSize=this.bufferHeight=this.bufferWidth= -this.windowSize=this.windowHeight=this.windowWidth=0;this.zBufferT=this.zBuffer=this.pBufferT=this.pBuffer=this.bufferedImage=null;this.heightOffscreen=this.widthOffscreen=0;this.apiPlatform=this.graphicsForTextOrImage=this.offscreenImage=null;s(this,arguments)},J.g3d,"Platform3D");n(c$,function(a){this.apiPlatform=a},"J.api.GenericPlatform");c(c$,"getGraphicsForMetrics",function(){return this.apiPlatform.getGraphics(this.allocateOffscreenImage(1,1))});c(c$,"allocateTBuffers",function(a){this.bufferSizeT= 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a=this.bufferSize;0<=--a;)if(2147483647!=this.zBuffer[a])return!0;return!1});c(c$,"clearScreenBuffer",function(){for(var a= -this.bufferSize;0<=--a;)this.zBuffer[a]=2147483647,this.pBuffer[a]=0});c(c$,"setBackgroundColor",function(a){if(null!=this.pBuffer)for(var b=this.bufferSize;0<=--b;)0==this.pBuffer[b]&&(this.pBuffer[b]=a)},"~N");c(c$,"clearTBuffer",function(){for(var a=this.bufferSizeT;0<=--a;)this.zBufferT[a]=2147483647,this.pBufferT[a]=0});c(c$,"clearBuffer",function(){this.clearScreenBuffer()});c(c$,"clearScreenBufferThreaded",function(){});c(c$,"notifyEndOfRendering",function(){this.apiPlatform.notifyEndOfRendering()}); -c(c$,"getGraphicsForTextOrImage",function(a,b){if(a>this.widthOffscreen||b>this.heightOffscreen)null!=this.offscreenImage&&(this.apiPlatform.disposeGraphics(this.graphicsForTextOrImage),this.apiPlatform.flushImage(this.offscreenImage)),a>this.widthOffscreen&&(this.widthOffscreen=a),b>this.heightOffscreen&&(this.heightOffscreen=b),this.offscreenImage=this.allocateOffscreenImage(this.widthOffscreen,this.heightOffscreen),this.graphicsForTextOrImage=this.apiPlatform.getStaticGraphics(this.offscreenImage, -J.g3d.Platform3D.backgroundTransparent);return this.graphicsForTextOrImage},"~N,~N");c(c$,"allocateOffscreenImage",function(a,b){return this.apiPlatform.newOffScreenImage(a,b)},"~N,~N");c(c$,"setBackgroundTransparent",function(a){J.g3d.Platform3D.backgroundTransparent=a},"~B");F(c$,"backgroundTransparent",!1);u("J.g3d");c$=t(function(){this.b=this.a=0;this.isOrthographic=!1;s(this,arguments)},J.g3d,"PrecisionRenderer");c(c$,"getZCurrent",function(a,b,d){return Math.round(1.4E-45==a?b:this.isOrthographic? -a*d+b:a/(b-d))},"~N,~N,~N");c(c$,"setRastABFloat",function(a,b,d,c){var f=c-b,e=d-a;0==f||0==e?(this.a=1.4E-45,this.b=b):this.isOrthographic?(this.a=f/e,this.b=b-this.a*a):(this.a=e*b*(c/f),this.b=(d*c-a*b)/f)},"~N,~N,~N,~N");c(c$,"setRastAB",function(a,b,d,c){var f=c-b,e=d-a;1.4E-45==a||0==f||0==e?(this.a=1.4E-45,this.b=c):this.isOrthographic?(this.a=f/e,this.b=b-this.a*a):(this.a=e*b*(c/f),this.b=(d*c-a*b)/f)},"~N,~N,~N,~N");u("J.g3d");x(["JU.P3"],"J.g3d.SphereRenderer",null,function(){c$=t(function(){this.mDeriv= -this.coef=this.mat=this.zroot=this.shader=this.g3d=null;this.planeShade=this.selectedOctant=0;this.zbuf=null;this.offsetPbufBeginLine=this.slab=this.depth=this.height=this.width=0;this.dxyz=this.planeShades=this.ptTemp=null;s(this,arguments)},J.g3d,"SphereRenderer");O(c$,function(){this.zroot=X(2,0);this.ptTemp=new JU.P3;this.planeShades=A(3,0);this.dxyz=I(3,3,0)});n(c$,function(a){this.g3d=a;this.shader=a.shader},"J.g3d.Graphics3D");c(c$,"render",function(a,b,d,c,f,e,h,k,l,j){if(1!=f&&(49>1,q=f-m;if(!(f+mthis.depth)){var z=d-m,w=d+m,p=c-m,s=c+m;this.shader.nOut=this.shader.nIn=0;this.zbuf=this.g3d.zbuf;this.height=this.g3d.height;this.width=this.g3d.width;this.offsetPbufBeginLine=this.width*c+d;var n=this.shader;this.mat=e;if(null!=e&&(this.coef=h,this.mDeriv=k,this.selectedOctant=l,null==n.ellipsoidShades&&n.createEllipsoidShades(),null!=j)){this.planeShade=-1;for(h=0;3>h;h++)if(m= -this.dxyz[h][0]=j[h].x-d,k=this.dxyz[h][1]=j[h].y-c,l=this.dxyz[h][2]=j[h].z-f,this.planeShades[h]=n.getShadeIndex(m,k,-l),0==m&&0==k){this.planeShade=this.planeShades[h];break}}if(null!=e||128z||w>=this.width||0>p||s>=this.height||qthis.depth?this.renderSphereClipped(t,d,c,f,b,a):this.renderSphereUnclipped(t, 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u=0<=z&&z=n):(L=c-M,M=L=n&&L<=t){if(u){if(I&&L>7&7):E>>7&63;s.addPixel(x,L,e[N])}H&&L>13&7):E>>13&63,s.addPixel(A,L,e[N]))}v&&(I&&L>19&7):E>>19&63,s.addPixel(B,L,e[N])),H&&L>25&7):E>>25&63,s.addPixel(C,L,e[N])))}++x;--A;++B;--C;++D;--F;M&&(d=(d<<16)+(d<<1)+d&2147483647)}while(0<=E);m+=h;q-=h;++z;--w}while(0<--f)},"~A,~N,~N,~N,~N,~A");c(c$,"renderQuadrant",function(a,b,d,c,f,e,h){e=y(e/2);var k=d+e*a,l=(0>d?-1:dk?-2:kc?-1:ck?-2:k=this.slab&&f<=this.depth?this.renderQuadrantUnclipped(e,a,b,f,h):this.renderQuadrantClipped(e,a,b,d,c,f,h)))},"~N,~N,~N,~N,~N,~N,~A");c(c$,"renderQuadrantUnclipped",function(a,b,d,c,f){for(var e=a*a,h=2*a+1,k=0>d?-this.width:this.width,l=this.offsetPbufBeginLine,j=this.zbuf,m=this.g3d.pixel,q=this.shader.sphereShadeIndexes,z=0,w=0;w<=e;w+=z+ ++z,l+=k)for(var p=l,s=e-w,n=c-a,t=y((z*d+a<<8)/h),u=0,v=0;v<=s;v+=u+ ++u,p+=b)if(!(j[p]<=n)&&(n=y(Math.sqrt(s-v)),n=c-n, -!(j[p]<=n))){var 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f=this.tickInfo.signFactor;this.vectorT.sub2(this.tickB,this.tickA);var e=this.vectorT.length();if(null!=this.tickInfo.scale)if(Float.isNaN(this.tickInfo.scale.x)){var h=this.vwr.getUnitCellInfo(0);Float.isNaN(h)||this.vectorT.set(this.vectorT.x/h,this.vectorT.y/this.vwr.getUnitCellInfo(1),this.vectorT.z/this.vwr.getUnitCellInfo(2))}else this.vectorT.set(this.vectorT.x* -this.tickInfo.scale.x,this.vectorT.y*this.tickInfo.scale.y,this.vectorT.z*this.tickInfo.scale.z);h=this.vectorT.length()+1E-4*a;if(!(hd&&(d=1);this.vectorT2.set(-this.vectorT2.y,this.vectorT2.x,0);this.vectorT2.scale(b/this.vectorT2.length());b= -this.tickInfo.reference;null==b?(this.pointT3.setT(this.vwr.getBoundBoxCenter()),603979809==this.vwr.g.axesMode&&this.pointT3.add3(1,1,1)):this.pointT3.setT(b);this.tm.transformPtScr(this.pointT3,this.pt2i);b=0.2>Math.abs(this.vectorT2.x/this.vectorT2.y);for(var j=!b,m=!b&&0>this.vectorT2.x,q=null!=c&&0=this.tickInfo.first&&(this.pointT2.setT(this.pointT),this.tm.transformPt3f(this.pointT2,this.pointT2),this.drawLine(y(Math.floor(this.pointT2.x)), -y(Math.floor(this.pointT2.y)),B(l),z=y(Math.floor(this.pointT2.x+this.vectorT2.x)),w=y(Math.floor(this.pointT2.y+this.vectorT2.y)),B(l),d),q&&(this.draw000||0!=k))){p[0]=Float.$valueOf(0==k?0:k*f);var s=JU.PT.sprintf(c[n%c.length],"f",p);this.drawString(z,w,B(l),4,m,b,j,y(Math.floor(this.pointT2.y)),s)}this.pointT.add(this.vectorT);k+=a;l+=e;n++}}}},"~N,~N,~N,~A");c(c$,"drawLine",function(a,b,d,c,f,e,h){return this.drawLine2(a,b,d,c,f,e,h)},"~N,~N,~N,~N,~N,~N,~N");c(c$,"drawLine2",function(a,b,d, -c,f,e,h){this.pt0.set(a,b,d);this.pt1.set(c,f,e);if(this.dotsOrDashes)null!=this.dashDots&&this.drawDashed(a,b,d,c,f,e,this.dashDots);else{if(0>h)return this.g3d.drawDashedLineBits(8,4,this.pt0,this.pt1),1;this.g3d.fillCylinderBits(2,h,this.pt0,this.pt1)}return y((h+1)/2)},"~N,~N,~N,~N,~N,~N,~N");c(c$,"drawString",function(a,b,d,c,f,e,h,k,l){if(null!=l){var j=this.font3d.stringWidth(l),m=this.font3d.getAscent();a=f?a-(y(c/2)+2+j):e?a-(y(c/2)+2+y(j/2)):a+(y(c/2)+2);f=b;f=h?f+y(m/2):0==k||kb&&(b=1);this.g3d.drawString(l,this.font3d,a,f,b,b,0)}},"~N,~N,~N,~N,~B,~B,~B,~N,~S");c(c$,"drawDashed",function(a,b,d,c,f,e,h){if(!(null==h||0>this.width)){var k=h[0];c-=a;f-=b;e-=d;var l=0,j=h===J.render.FontLineShapeRenderer.ndots,m=j||h===J.render.FontLineShapeRenderer.sixdots;if(m){var q=(c*c+f*f)/(this.width*this.width);j?(k=Math.sqrt(q)/1.5,l=B(k)+2):8>q?h=J.render.FontLineShapeRenderer.twodots:32>q&&(h=J.render.FontLineShapeRenderer.fourdots)}var q=h[1],z=h[2],w=this.colixA, -p=0==z?this.colixB:this.colixA;0==l&&(l=h.length);for(var n=0,s=3;s=this.holdRepaint&&(this.holdRepaint=0,a&&(this.repaintPending=!0,this.repaintNow(b)))},"~B,~S");j(c$,"requestRepaintAndWait",function(a){var b=null;JV.Viewer.isJS&&!JV.Viewer.isSwingJS&&(b=self.Jmol&&Jmol.repaint?Jmol:null);if(null==b)try{this.repaintNow(a),JV.Viewer.isJS||this.wait(this.vwr.g.repaintWaitMs), -this.repaintPending&&(JU.Logger.error("repaintManager requestRepaintAndWait timeout"),this.repaintDone())}catch(d){if(E(d,InterruptedException))System.out.println("repaintManager requestRepaintAndWait interrupted thread="+Thread.currentThread().getName());else throw d;}else b.repaint(this.vwr.html5Applet,!1),this.repaintDone()},"~S");j(c$,"repaintIfReady",function(a){if(this.repaintPending)return!1;this.repaintPending=!0;0==this.holdRepaint&&this.repaintNow(a);return!0},"~S");c(c$,"repaintNow",function(){this.vwr.haveDisplay&& -this.vwr.apiPlatform.repaint(this.vwr.display)},"~S");j(c$,"repaintDone",function(){this.repaintPending=!1});j(c$,"clear",function(a){if(null!=this.renderers)if(0<=a)this.renderers[a]=null;else 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"+JV.JC.getShapeClassName(e,!1),JU.Logger.startTimer(c)),(d||this.bsTranslucent.get(e))&&this.getRenderer(e).renderShape(a,b,h)&&this.bsTranslucent.set(e),f&&JU.Logger.checkTimer(c,!1))}a.renderAllStrings(null)}catch(k){if(E(k,Exception)){k.printStackTrace();if(this.vwr.async&&"Interface".equals(k.getMessage()))throw new NullPointerException;JU.Logger.error("rendering error? "+k)}else throw k; -}},"JU.GData,JM.ModelSet,~B,~A");c(c$,"getAllRenderers",function(){for(var a=!0,b=0;37>b;++b)null==this.shapeManager.getShape(b)||null!=this.getRenderer(b)||(a=this.repaintPending=!this.vwr.async);if(!a)throw new NullPointerException;});j(c$,"renderExport",function(a,b,d){this.shapeManager.finalizeAtoms(null,!0);a=this.vwr.initializeExporter(d);if(null==a)return JU.Logger.error("Cannot export "+d.get("type")),null;null==this.renderers&&(this.renderers=Array(37));this.getAllRenderers();d=null;try{var c= -this.vwr.getBoolean(603979934);a.renderBackground(a);for(var f=0;37>f;++f){var e=this.shapeManager.getShape(f);null!=e&&(c&&(d="rendering "+JV.JC.getShapeClassName(f,!1),JU.Logger.startTimer(d)),this.getRenderer(f).renderShape(a,b,e),c&&JU.Logger.checkTimer(d,!1))}a.renderAllStrings(a);d=a.finalizeOutput()}catch(h){if(E(h,Exception))h.printStackTrace(),JU.Logger.error("rendering error? "+h);else throw h;}return d},"JU.GData,JM.ModelSet,java.util.Map")});u("J.render");x(null,"J.render.ShapeRenderer", -["JV.JC"],function(){c$=t(function(){this.shape=this.ms=this.g3d=this.tm=this.vwr=null;this.exportType=this.mad=this.colix=this.shapeID=this.myVisibilityFlag=0;this.isExport=!1;s(this,arguments)},J.render,"ShapeRenderer");c(c$,"initRenderer",function(){});c(c$,"setViewerG3dShapeID",function(a,b){this.vwr=a;this.tm=a.tm;this.shapeID=b;this.myVisibilityFlag=JV.JC.getShapeVisibilityFlag(b);this.initRenderer()},"JV.Viewer,~N");c(c$,"renderShape",function(a,b,d){this.setup(a,b,d);a=this.render();this.exportType= -0;this.isExport=!1;return a},"J.api.JmolRendererInterface,JM.ModelSet,J.shape.Shape");c(c$,"setup",function(a,b,d){this.g3d=a;this.ms=b;this.shape=d;this.exportType=a.getExportType();this.isExport=0!=this.exportType},"J.api.JmolRendererInterface,JM.ModelSet,J.shape.Shape");c(c$,"isVisibleForMe",function(a){return a.isVisible(this.myVisibilityFlag|9)},"JM.Atom")});u("J.render");x(["J.render.FontLineShapeRenderer","JU.BS","$.P3","$.V3"],"J.render.SticksRenderer","java.lang.Float JU.A4 $.M3 J.c.PAL JU.C $.Edge".split(" "), -function(){c$=t(function(){this.showMultipleBonds=!1;this.multipleBondRadiusFactor=this.multipleBondSpacing=0;this.useBananas=this.bondsPerp=!1;this.modeMultipleBond=0;this.isCartesian=!1;this.endcaps=0;this.hbondsSolid=this.bondsBackbone=this.hbondsBackbone=this.ssbondsBackbone=!1;this.bond=this.b=this.a=null;this.bondOrder=this.mag2d=this.dy=this.dx=this.zB=this.yB=this.xB=this.zA=this.yA=this.xA=0;this.slabByAtom=this.slabbing=this.isAntialiased=this.wireframeOnly=!1;this.bsForPass2=this.p2=this.p1= -this.z=this.y=this.x=null;this.isPass2=!1;this.dyStep=this.dxStep=this.yAxis2=this.xAxis2=this.yAxis1=this.xAxis1=this.rTheta=0;this.a4=this.rot=null;s(this,arguments)},J.render,"SticksRenderer",J.render.FontLineShapeRenderer);O(c$,function(){this.x=new JU.V3;this.y=new JU.V3;this.z=new JU.V3;this.p1=new JU.P3;this.p2=new JU.P3;this.bsForPass2=JU.BS.newN(64)});j(c$,"render",function(){var a=this.ms.bo;if(null==a)return!1;(this.isPass2=this.vwr.gdata.isPass2)||this.bsForPass2.clearAll();this.slabbing= -this.tm.slabEnabled;this.slabByAtom=this.vwr.getBoolean(603979939);this.endcaps=3;this.dashDots=this.vwr.getBoolean(603979893)?J.render.FontLineShapeRenderer.sixdots:J.render.FontLineShapeRenderer.dashes;this.isCartesian=1==this.exportType;this.getMultipleBondSettings(!1);this.wireframeOnly=!this.vwr.checkMotionRendering(1677721602);this.ssbondsBackbone=this.vwr.getBoolean(603979952);this.hbondsBackbone=this.vwr.getBoolean(603979852);this.bondsBackbone=(new Boolean(this.hbondsBackbone|this.ssbondsBackbone)).valueOf(); -this.hbondsSolid=this.vwr.getBoolean(603979854);this.isAntialiased=this.g3d.isAntialiased();var b=!1;if(this.isPass2){if(!this.isExport)for(var d=this.bsForPass2.nextSetBit(0);0<=d;d=this.bsForPass2.nextSetBit(d+1))this.bond=a[d],this.renderBond()}else for(d=this.ms.bondCount;0<=--d;)this.bond=a[d],0!=(this.bond.shapeVisibilityFlags&this.myVisibilityFlag)&&this.renderBond()&&(b=!0,this.bsForPass2.set(d));return b});c(c$,"getMultipleBondSettings",function(a){this.useBananas=this.vwr.getBoolean(603979886)&& -!a;this.multipleBondSpacing=a?0.15:this.vwr.getFloat(570425370);this.multipleBondRadiusFactor=a?0.4:this.vwr.getFloat(570425369);this.bondsPerp=this.useBananas||0this.multipleBondRadiusFactor;this.useBananas&&(this.multipleBondSpacing=0>this.multipleBondSpacing?0.4*-this.multipleBondSpacing:this.multipleBondSpacing);this.multipleBondRadiusFactor=Math.abs(this.multipleBondRadiusFactor);0==this.multipleBondSpacing&&this.isCartesian&&(this.multipleBondSpacing=0.2);this.modeMultipleBond= -this.vwr.g.modeMultipleBond;this.showMultipleBonds=0!=this.multipleBondSpacing&&0!=this.modeMultipleBond&&this.vwr.getBoolean(603979928)},"~B");c(c$,"renderBond",function(){var a,b;this.a=a=this.bond.atom1;this.b=b=this.bond.atom2;var d=this.bond.order&-131073;this.bondsBackbone&&(this.ssbondsBackbone&&0!=(d&256)?(this.a=this.a.group.getLeadAtomOr(this.a),this.b=this.b.group.getLeadAtomOr(this.b)):this.hbondsBackbone&&JU.Edge.isOrderH(d)&&(this.a=this.a.group.getLeadAtomOr(this.a),this.b=this.b.group.getLeadAtomOr(this.b))); -if(!this.isPass2&&(!this.a.isVisible(9)||!this.b.isVisible(9)||!this.g3d.isInDisplayRange(this.a.sX,this.a.sY)||!this.g3d.isInDisplayRange(this.b.sX,this.b.sY)))return!1;if(this.slabbing){var c=this.vwr.gdata.isClippedZ(this.a.sZ);if(c&&this.vwr.gdata.isClippedZ(this.b.sZ)||this.slabByAtom&&(c||this.vwr.gdata.isClippedZ(this.b.sZ)))return!1}this.zA=this.a.sZ;this.zB=this.b.sZ;if(1==this.zA||1==this.zB)return!1;this.colixA=a.colixAtom;this.colixB=b.colixAtom;2==((this.colix=this.bond.colix)&-30721)? -(this.colix&=30720,this.colixA=JU.C.getColixInherited(this.colix|this.vwr.cm.getColixAtomPalette(a,J.c.PAL.CPK.id),this.colixA),this.colixB=JU.C.getColixInherited(this.colix|this.vwr.cm.getColixAtomPalette(b,J.c.PAL.CPK.id),this.colixB)):(this.colixA=JU.C.getColixInherited(this.colix,this.colixA),this.colixB=JU.C.getColixInherited(this.colix,this.colixB));a=!1;if(!this.isExport&&!this.isPass2&&(b=!JU.C.renderPass2(this.colixA),c=!JU.C.renderPass2(this.colixB),!b||!c)){if(!b&&!c&&!a)return this.g3d.setC(!b? 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-this.bondOrder=2;this.multipleBondSpacing*=1.5;this.drawBond(b>>3);this.bondsPerp=!this.bondsPerp;this.multipleBondSpacing=d;break;case 6:this.bondOrder=4;d=this.multipleBondRadiusFactor;0==d&&1d&&(this.multipleBondSpacing=0.15);this.drawBond(b);this.bondsPerp=!this.bondsPerp;this.bondOrder=2;this.multipleBondSpacing*=1.5;this.drawBond(b>>4);this.bondsPerp=!this.bondsPerp;this.multipleBondSpacing=d;break;default:this.drawBond(b)}}return a}); -c(c$,"drawBond",function(a){var b=0!=(a&1);if(this.isCartesian&&1==this.bondOrder&&!b)this.g3d.drawBond(this.a,this.b,this.colixA,this.colixB,this.endcaps,this.mad,-1);else{var d=0==this.dx&&0==this.dy;if(!d||!this.asLineOnly||this.isCartesian){var c=1>=1;b=0!=(a&1);if(0>=--this.bondOrder)break;this.p1.add(this.y);this.p2.add(this.y);this.stepAxisCoordinates()}}else 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null==a?1:0>this.dx*(a.sY-this.yA)-this.dy*(a.sX-this.xA)?2:1});c(c$,"drawBanana",function(a,b,d,c){this.g3d.addRenderer(553648145);this.vectorT.sub2(b,a);null==this.rot&& -(this.rot=new JU.M3,this.a4=new JU.A4);this.a4.setVA(this.vectorT,3.141592653589793*c/180);this.rot.setAA(this.a4);this.pointT.setT(a);this.pointT3.setT(b);this.pointT2.ave(a,b);this.rot.rotate2(d,this.vectorT);this.pointT2.add(this.vectorT);this.tm.transformPtScrT3(a,this.pointT);this.tm.transformPtScrT3(this.pointT2,this.pointT2);this.tm.transformPtScrT3(b,this.pointT3);a=Math.max(this.width,1);this.g3d.setC(this.colixA);this.g3d.fillHermite(5,a,a,a,this.pointT,this.pointT,this.pointT2,this.pointT3); -this.g3d.setC(this.colixB);this.g3d.fillHermite(5,a,a,a,this.pointT,this.pointT2,this.pointT3,this.pointT3)},"JM.Atom,JM.Atom,JU.V3,~N")});u("JS");x(["JS.T"],"JS.ContextToken",["java.util.Hashtable","JS.SV"],function(){c$=t(function(){this.name0=this.forVars=this.contextVariables=null;s(this,arguments)},JS,"ContextToken",JS.T);c$.newContext=c(c$,"newContext",function(a){a=a?JS.ContextToken.newCmd(1275335685,"{"):JS.ContextToken.newCmd(1275334681,"}");a.intValue=0;return a},"~B");c$.newCmd=c(c$,"newCmd", -function(a,b){var d=new JS.ContextToken;d.tok=a;d.value=b;return d},"~N,~O");c(c$,"addName",function(a){null==this.contextVariables&&(this.contextVariables=new java.util.Hashtable);this.contextVariables.put(a,JS.SV.newS("").setName(a))},"~S")});u("JS");x(null,"JS.ScriptContext",["java.util.Hashtable","JS.SV"],function(){c$=t(function(){this.aatoken=null;this.chk=this.allowJSThreads=!1;this.contextPath=" >> 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b=this;null!=b&&!b.isFunction;){if(null!=b.vars&&b.vars.containsKey(a))return b.vars.get(a);b=b.parentContext}return null}, -"~S");c(c$,"getFullMap",function(){var a=new java.util.Hashtable,b=this;for(null!=this.contextPath&&a.put("_path",JS.SV.newS(this.contextPath));null!=b&&!b.isFunction;){if(null!=b.vars)for(var d,c=b.vars.keySet().iterator();c.hasNext()&&((d=c.next())||1);)if(!a.containsKey(d)){var f=b.vars.get(d);(2!=f.tok||2147483647!=f.intValue)&&a.put(d,f)}b=b.parentContext}return a});c(c$,"saveTokens",function(a){this.aatoken=a;if(null==a)this.pointers=null;else{this.pointers=A(a.length,0);for(var b=this.pointers.length;0<= ---b;)this.pointers[b]=null==a[b]?-1:a[b][0].intValue}},"~A");c(c$,"restoreTokens",function(){if(null!=this.pointers)for(var a=this.pointers.length;0<=--a;)null!=this.aatoken[a]&&(this.aatoken[a][0].intValue=this.pointers[a]);return this.aatoken});c(c$,"getTokenCount",function(){return null==this.aatoken?-1:this.aatoken.length});c(c$,"getToken",function(a){return this.aatoken[a]},"~N");F(c$,"contextCount",0)});u("JS");x(["java.lang.Exception"],"JS.ScriptException",null,function(){c$=t(function(){this.untranslated= -this.message=this.eval=null;this.isError=!1;s(this,arguments)},JS,"ScriptException",Exception);n(c$,function(a,b,d,c){this.eval=a;this.message=b;(this.isError=c)&&this.eval.setException(this,b,d)},"JS.ScriptError,~S,~S,~B");c(c$,"getErrorMessageUntranslated",function(){return this.untranslated});j(c$,"getMessage",function(){return this.message});j(c$,"toString",function(){return this.message})});u("JS");x(["javajs.api.JSONEncodable","JS.T","JU.P3"],"JS.SV","java.lang.Boolean $.Float java.util.Arrays $.Collections $.Hashtable $.Map JU.AU $.BArray $.BS $.Base64 $.Lst $.M3 $.M34 $.M4 $.Measure $.P4 $.PT $.Quat $.SB $.T3 $.V3 JM.BondSet JS.ScriptContext JU.BSUtil $.Escape JV.Viewer".split(" "), -function(){c$=t(function(){this.index=2147483647;this.myName=null;U("JS.SV.Sort")||JS.SV.$SV$Sort$();s(this,arguments)},JS,"SV",JS.T,javajs.api.JSONEncodable);c$.newV=c(c$,"newV",function(a,b){var d=new JS.SV;d.tok=a;d.value=b;return d},"~N,~O");c$.newI=c(c$,"newI",function(a){var b=new JS.SV;b.tok=2;b.intValue=a;return b},"~N");c$.newF=c(c$,"newF",function(a){var b=new JS.SV;b.tok=3;b.value=Float.$valueOf(a);return b},"~N");c$.newS=c(c$,"newS",function(a){return JS.SV.newV(4,a)},"~S");c$.newT=c(c$, +J.adapter.smarter.Resolver.qcJsonContainsRecords])});s("J.adapter.smarter");u(["J.api.JmolAdapter"],"J.adapter.smarter.SmarterJmolAdapter","java.io.BufferedReader $.InputStream java.lang.UnsupportedOperationException javajs.api.GenericBinaryDocument JU.PT $.Rdr J.adapter.smarter.AtomIterator $.AtomSetCollection $.AtomSetCollectionReader $.BondIterator $.Resolver $.StructureIterator JS.SV JU.Logger JV.Viewer".split(" 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null==this.type?this.type2:this.type});c$.getVdwType=c(c$,"getVdwType",function(a){if(null!=a)for(var b,d=0,g=J.c.VDW.values();d=c)this.line3d.plotLineDeltaOld(B.getColorArgbOrGray(a), +B.getColorArgbOrGray(b),e,h,k,this.dxB,this.dyB,this.dzB,this.clipped);else{l=0==d&&(this.clipped||2==g||0==g);this.diameter=c;this.xA=e;this.yA=h;this.zA=k;this.endcaps=g;this.shadesA=B.getShades(this.colixA=a);this.shadesB=B.getShades(this.colixB=b);this.calcArgbEndcap(!0,!1);this.calcCosSin(this.dxB,this.dyB,this.dzB);this.calcPoints(3,!1);this.interpolate(0,1,this.xyzfRaster,this.xyztRaster);this.interpolate(1,2,this.xyzfRaster,this.xyztRaster);k=this.xyzfRaster;2==g&&this.renderFlatEndcap(!0, +!1,k);B.setZMargin(5);a=B.width;b=B.zbuf;c=k[0];e=k[1];h=k[2];k=k[3];j=B.pixel;for(m=this.rasterCount;0<=--m;)v=k[m]>>8,E=v>>1,I=c[m],p=e[m],q=h[m],this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(B.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+I,this.yEndcap+p,this.zEndcap-q-1,a,b,j),B.plotPixelClippedArgb(this.argbEndcap,this.xEndcap-I,this.yEndcap-p,this.zEndcap+q-1,a,b,j)):(B.plotPixelUnclipped(this.argbEndcap,this.xEndcap+I,this.yEndcap+p,this.zEndcap-q-1,a,b,j),B.plotPixelUnclipped(this.argbEndcap, +this.xEndcap-I,this.yEndcap-p,this.zEndcap+q-1,a,b,j))),this.line3d.plotLineDeltaAOld(this.shadesA,this.shadesB,d,v,this.xA+I,this.yA+p,this.zA-q,this.dxB,this.dyB,this.dzB,this.clipped),l&&this.line3d.plotLineDeltaOld(this.shadesA[E],this.shadesB[E],this.xA-I,this.yA-p,this.zA+q,this.dxB,this.dyB,this.dzB,this.clipped);B.setZMargin(0);3==g&&this.renderSphericalEndcaps()}},"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"renderBitsFloat",function(a,b,d,g,c,e,h){var k=this.g3d;null==this.ptA0&&(this.ptA0= +new JU.P3,this.ptB0=new JU.P3);this.ptA0.setT(e);var l=y(c/2)+1,j=Math.round(e.x),m=Math.round(e.y),p=Math.round(e.z),B=Math.round(h.x),v=Math.round(h.y),E=Math.round(h.z),I=k.clipCode3(j-l,m-l,p-l),j=k.clipCode3(j+l,m+l,p+l),m=k.clipCode3(B-l,v-l,E-l),l=k.clipCode3(B+l,v+l,E+l),B=I|j|m|l;this.clipped=0!=B;if(!(-1==B||0!=(I&l&j&m))){this.dxBf=h.x-e.x;this.dyBf=h.y-e.y;this.dzBf=h.z-e.z;0>8,j=E>>1,m=h[v], +p=I[v],q=l[v];this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+m,this.yEndcap+p,this.zEndcap-q-1,a,b,c),k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap-m,this.yEndcap-p,this.zEndcap+q-1,a,b,c)):(k.plotPixelUnclipped(this.argbEndcap,this.xEndcap+m,this.yEndcap+p,this.zEndcap-q-1,a,b,c),k.plotPixelUnclipped(this.argbEndcap,this.xEndcap-m,this.yEndcap-p,this.zEndcap+q-1,a,b,c)));this.ptA0.set(this.xA+m,this.yA+p,this.zA-q);this.ptB0.setT(this.ptA0); +this.ptB0.x+=this.dxB;this.ptB0.y+=this.dyB;this.ptB0.z+=this.dzB;this.line3d.plotLineDeltaABitsFloat(this.shadesA,this.shadesB,E,this.ptA0,this.ptB0,d,this.clipped);e&&(this.ptA0.set(this.xA-m,this.yA-p,this.zA+q),this.ptB0.setT(this.ptA0),this.ptB0.x+=this.dxB,this.ptB0.y+=this.dyB,this.ptB0.z+=this.dzB,this.line3d.plotLineDeltaABitsFloat(this.shadesA,this.shadesB,j,this.ptA0,this.ptB0,d,this.clipped))}k.setZMargin(0);3==g&&this.renderSphericalEndcaps();this.xAf+=this.dxBf;this.yAf+=this.dyBf;this.zAf+= +this.dzBf}},"~N,~N,~N,~N,~N,JU.P3,JU.P3");c(c$,"renderBits",function(a,b,d,g,c,e,h){var k=this.g3d;if(0==c||1==c)this.line3d.plotLineBits(k.getColorArgbOrGray(a),k.getColorArgbOrGray(b),e,h,0,0,!1);else{this.ptA0i.setT(e);var l=y(c/2)+1,j=e.x,m=e.y,p=e.z,B=h.x,v=h.y,E=h.z,I=k.clipCode3(j-l,m-l,p-l),j=k.clipCode3(j+l,m+l,p+l),m=k.clipCode3(B-l,v-l,E-l),l=k.clipCode3(B+l,v+l,E+l),B=I|j|m|l;this.clipped=0!=B;if(!(-1==B||0!=(I&l&j&m))){this.dxBf=h.x-e.x;this.dyBf=h.y-e.y;this.dzBf=h.z-e.z;0>8,j=E>>1,m=h[v],p=I[v],q=l[v];this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+m,this.yEndcap+p,this.zEndcap-q-1,a,b,c),k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap-m,this.yEndcap-p,this.zEndcap+q-1,a,b,c)):(k.plotPixelUnclipped(this.argbEndcap,this.xEndcap+m,this.yEndcap+p,this.zEndcap-q-1,a,b,c),k.plotPixelUnclipped(this.argbEndcap,this.xEndcap-m,this.yEndcap- +p,this.zEndcap+q-1,a,b,c)));this.ptA0i.set(this.xA+m,this.yA+p,this.zA-q);this.ptB0i.setT(this.ptA0i);this.ptB0i.x+=this.dxB;this.ptB0i.y+=this.dyB;this.ptB0i.z+=this.dzB;this.line3d.plotLineDeltaABitsInt(this.shadesA,this.shadesB,E,this.ptA0i,this.ptB0i,d,this.clipped);e&&(this.ptA0i.set(this.xA-m,this.yA-p,this.zA+q),this.ptB0i.setT(this.ptA0i),this.ptB0i.x+=this.dxB,this.ptB0i.y+=this.dyB,this.ptB0i.z+=this.dzB,this.line3d.plotLineDeltaABitsInt(this.shadesA,this.shadesB,j,this.ptA0i,this.ptB0i, +d,this.clipped))}k.setZMargin(0);3==g&&this.renderSphericalEndcaps();this.xAf+=this.dxBf;this.yAf+=this.dyBf;this.zAf+=this.dzBf}}},"~N,~N,~N,~N,~N,JU.P3i,JU.P3i");c(c$,"renderConeOld",function(a,b,d,g,c,e,h,k,l,j,m){this.dxBf=h-(this.xAf=g);this.dyBf=k-(this.yAf=c);this.dzBf=l-(this.zAf=e);this.xA=y(Math.floor(this.xAf));this.yA=y(Math.floor(this.yAf));this.zA=y(Math.floor(this.zAf));this.dxB=y(Math.floor(this.dxBf));this.dyB=y(Math.floor(this.dyBf));this.dzB=y(Math.floor(this.dzBf));this.xTip=h; +this.yTip=k;this.zTip=l;this.shadesA=this.g3d.getShades(this.colixA=a);var p=this.shader.getShadeIndex(this.dxB,this.dyB,-this.dzB);a=this.g3d;g=a.pixel;c=a.width;e=a.zbuf;a.plotPixelClippedArgb(this.shadesA[p],A(h),A(k),A(l),c,e,g);this.diameter=d;if(1>=d)1==d&&this.line3d.plotLineDeltaOld(this.colixA,this.colixA,this.xA,this.yA,this.zA,this.dxB,this.dyB,this.dzB,this.clipped);else{this.endcaps=b;this.calcArgbEndcap(!1,!0);this.generateBaseEllipsePrecisely(m);!m&&2==this.endcaps&&this.renderFlatEndcap(!1, +!0,this.xyzfRaster);a.setZMargin(5);b=this.xyztRaster[0];d=this.xyztRaster[1];h=this.xyztRaster[2];k=this.xyzfRaster[3];l=this.shadesA;for(var p=this.endCapHidden&&0!=this.argbEndcap,B=this.rasterCount;0<=--B;){var v=b[B],E=d[B],I=h[B],q=k[B]>>8,n=this.xAf+v,r=this.yAf+E,s=this.zAf-I,v=this.xAf-v,E=this.yAf-E,I=this.zAf+I,t=l[0];p&&(a.plotPixelClippedArgb(this.argbEndcap,A(n),A(r),A(s),c,e,g),a.plotPixelClippedArgb(this.argbEndcap,A(v),A(E),A(I),c,e,g));0!=t&&(this.line3d.plotLineDeltaAOld(l,l,0, +q,A(n),A(r),A(s),y(Math.ceil(this.xTip-n)),y(Math.ceil(this.yTip-r)),y(Math.ceil(this.zTip-s)),!0),j&&(this.line3d.plotLineDeltaAOld(l,l,0,q,A(n),A(r)+1,A(s),y(Math.ceil(this.xTip-n)),y(Math.ceil(this.yTip-r))+1,y(Math.ceil(this.zTip-s)),!0),this.line3d.plotLineDeltaAOld(l,l,0,q,A(n)+1,A(r),A(s),y(Math.ceil(this.xTip-n))+1,y(Math.ceil(this.yTip-r)),y(Math.ceil(this.zTip-s)),!0)),!m&&!(2!=this.endcaps&&0=b[0].length)for(;this.rasterCount>=b[0].length;){for(var g=4;0<=--g;)b[g]=JU.AU.doubleLengthI(b[g]);d[3]= +JU.AU.doubleLengthF(d[3])}if(a)for(;this.rasterCount>=d[0].length;)for(g=3;0<=--g;)d[g]=JU.AU.doubleLengthF(d[g]);return this.rasterCount++},"~B,~A,~A");c(c$,"interpolate",function(a,b,d,g){var c=d[0],e=d[1],c=c[b]-c[a];0>c&&(c=-c);e=e[b]-e[a];0>e&&(e=-e);if(!(1>=c+e)){for(var h=this.allocRaster(!1,d,g),c=d[0],e=d[1],k=d[3],l=g[3][a],j=g[3][b],m=4;0<=--m;){var p=(l+j)/2;this.calcRotatedPoint(p,h,!1,d,g);if(c[h]==c[a]&&e[h]==e[a])k[a]=k[a]+k[h]>>>1,l=p;else if(c[h]==c[b]&&e[h]==e[b])k[b]=k[b]+k[h]>>> +1,j=p;else{this.interpolate(a,h,d,g);this.interpolate(h,b,d,g);return}}c[h]=c[a];e[h]=e[b]}},"~N,~N,~A,~A");c(c$,"interpolatePrecisely",function(a,b,d,g){var c=g[0],e=g[1],h=y(Math.floor(c[b]))-y(Math.floor(c[a]));0>h&&(h=-h);e=y(Math.floor(e[b]))-y(Math.floor(e[a]));0>e&&(e=-e);if(!(1>=h+e)){for(var e=g[3],h=e[a],k=e[b],l=this.allocRaster(!0,d,g),c=g[0],e=g[1],j=d[3],m=4;0<=--m;){var p=(h+k)/2;this.calcRotatedPoint(p,l,!0,d,g);if(y(Math.floor(c[l]))==y(Math.floor(c[a]))&&y(Math.floor(e[l]))==y(Math.floor(e[a])))j[a]= +j[a]+j[l]>>>1,h=p;else if(y(Math.floor(c[l]))==y(Math.floor(c[b]))&&y(Math.floor(e[l]))==y(Math.floor(e[b])))j[b]=j[b]+j[l]>>>1,k=p;else{this.interpolatePrecisely(a,l,d,g);this.interpolatePrecisely(l,b,d,g);return}}c[l]=c[a];e[l]=e[b]}},"~N,~N,~A,~A");c(c$,"renderFlatEndcap",function(a,b,d){var g,c;if(b){if(0==this.dzBf||!this.g3d.setC(this.colixEndcap))return;b=this.xAf;g=this.yAf;c=this.zAf;a&&0>this.dzBf&&(b+=this.dxBf,g+=this.dyBf,c+=this.dzBf);b=A(b);g=A(g);c=A(c)}else{if(0==this.dzB||!this.g3d.setC(this.colixEndcap))return; +b=this.xA;g=this.yA;c=this.zA;a&&0>this.dzB&&(b+=this.dxB,g+=this.dyB,c+=this.dzB)}var e=d[1][0];a=d[1][0];var h=0,k=0,l=d[0],j=d[1];d=d[2];for(var m=this.rasterCount;0<--m;){var p=j[m];pa?a=p:(p=-p,pa&&(a=p))}for(p=e;p<=a;++p){for(var e=2147483647,B=-2147483648,m=this.rasterCount;0<=--m;){if(j[m]==p){var v=l[m];vB&&(B=v,k=d[m])}j[m]==-p&&(v=-l[m],vB&&(B=v,k=-d[m]))}m=B-e+1;this.g3d.setColorNoisy(this.endcapShadeIndex);this.g3d.plotPixelsClippedRaster(m, +b+e,g+p,c-h-1,c-k-1,null,null)}},"~B,~B,~A");c(c$,"renderSphericalEndcaps",function(){0!=this.colixA&&this.g3d.setC(this.colixA)&&this.g3d.fillSphereXYZ(this.diameter,this.xA,this.yA,this.zA+1);0!=this.colixB&&this.g3d.setC(this.colixB)&&this.g3d.fillSphereXYZ(this.diameter,this.xA+this.dxB,this.yA+this.dyB,this.zA+this.dzB+1)});c(c$,"calcArgbEndcap",function(a,b){this.tEvenDiameter=0==(this.diameter&1);this.radius=this.diameter/2;this.radius2=this.radius*this.radius;this.endCapHidden=!1;var d=b? +this.dzBf:this.dzB;if(!(3==this.endcaps||0==d)){this.xEndcap=this.xA;this.yEndcap=this.yA;this.zEndcap=this.zA;var g=b?this.dxBf:this.dxB,c=b?this.dyBf:this.dyB;0<=d||!a?(this.endcapShadeIndex=this.shader.getShadeIndex(-g,-c,d),this.colixEndcap=this.colixA,d=this.shadesA):(this.endcapShadeIndex=this.shader.getShadeIndex(g,c,-d),this.colixEndcap=this.colixB,d=this.shadesB,this.xEndcap+=this.dxB,this.yEndcap+=this.dyB,this.zEndcap+=this.dzB);56>24&15){case 0:d=g;a=c;break;case 1:d=(g<<2)+(g<<1)+g+d>>3&16711935;a=(c<<2)+ +(c<<1)+c+a>>3&65280;break;case 2:d=(g<<1)+g+d>>2&16711935;a=(c<<1)+c+a>>2&65280;break;case 3:d=(g<<2)+g+(d<<1)+d>>3&16711935;a=(c<<2)+c+(a<<1)+a>>3&65280;break;case 4:d=d+g>>1&16711935;a=a+c>>1&65280;break;case 5:d=(g<<1)+g+(d<<2)+d>>3&16711935;a=(c<< +1)+c+(a<<2)+a>>3&65280;break;case 6:d=(d<<1)+d+g>>2&16711935;a=(a<<1)+a+c>>2&65280;break;case 7:d=(d<<2)+(d<<1)+d+g>>3&16711935,a=(a<<2)+(a<<1)+a+c>>3&65280}return 4278190080|d|a},"~N,~N,~N");j(c$,"getScreenImage",function(a){var b=this.platform.bufferedImage;a&&this.releaseBuffers();return b},"~B");j(c$,"applyAnaglygh",function(a,b){switch(a){case J.c.STER.REDCYAN:for(var d=this.anaglyphLength;0<=--d;){var g=this.anaglyphChannelBytes[d]&255;this.pbuf[d]=this.pbuf[d]&4294901760|g<<8|g}break;case J.c.STER.CUSTOM:for(var g= +b[0],c=b[1]&16777215,d=this.anaglyphLength;0<=--d;){var e=this.anaglyphChannelBytes[d]&255,e=(e|(e|e<<8)<<8)&c;this.pbuf[d]=this.pbuf[d]&g|e}break;case J.c.STER.REDBLUE:for(d=this.anaglyphLength;0<=--d;)g=this.anaglyphChannelBytes[d]&255,this.pbuf[d]=this.pbuf[d]&4294901760|g;break;case J.c.STER.REDGREEN:for(d=this.anaglyphLength;0<=--d;)this.pbuf[d]=this.pbuf[d]&4294901760|(this.anaglyphChannelBytes[d]&255)<<8}},"J.c.STER,~A");j(c$,"snapshotAnaglyphChannelBytes",function(){if(this.currentlyRendering)throw new NullPointerException; +this.anaglyphLength=this.windowWidth*this.windowHeight;if(null==this.anaglyphChannelBytes||this.anaglyphChannelBytes.length!=this.anaglyphLength)this.anaglyphChannelBytes=P(this.anaglyphLength,0);for(var a=this.anaglyphLength;0<=--a;)this.anaglyphChannelBytes[a]=this.pbuf[a]});j(c$,"releaseScreenImage",function(){this.platform.clearScreenBufferThreaded()});j(c$,"haveTranslucentObjects",function(){return this.$haveTranslucentObjects});j(c$,"setSlabAndZShade",function(a,b,d,g,c){this.setSlab(a);this.setDepth(b); +d>2&1061109567)<<2,h=h+((h&3233857728)>>6),k=0,l=0,e=d;0<=--e;l+=c)for(d=b;0<=--d;++k){var j=(a[l]>>2&1061109567)+(a[l++ +c]>>2&1061109567)+(a[l]>>2&1061109567)+(a[l++ +c]>>2&1061109567),j=j+((j&3233857728)>>6);j==h&&(j=g);a[k]=j&16777215|4278190080}},"~A,~N,~N,~N");c$.downsample2dZ=c(c$,"downsample2dZ",function(a,b,d,g,c){for(var e=d<<1,h=0,k=0;0<=--g;k+=e)for(var l=d;0<= +--l;++h,++k){var j=Math.min(b[k],b[k+e]),j=Math.min(j,b[++k]),j=Math.min(j,b[k+e]);2147483647!=j&&(j>>=1);b[h]=a[h]==c?2147483647:j}},"~A,~A,~N,~N,~N");c(c$,"hasContent",function(){return this.platform.hasContent()});j(c$,"setC",function(a){var b=JU.C.isColixLastAvailable(a);if(!b&&a==this.colixCurrent&&-1==this.currentShadeIndex)return!0;var d=a&30720;if(16384==d)return!1;this.renderLow&&(d=0);var g=0!=d,c=g&&30720==d;this.setScreened(c);if(!this.checkTranslucent(g&&!c))return!1;this.isPass2?(this.translucencyMask= +d<<13|16777215,this.translucencyLog=d>>11):this.translucencyLog=0;this.colixCurrent=a;b&&this.argbCurrent!=this.lastRawColor&&(0==this.argbCurrent&&(this.argbCurrent=4294967295),this.lastRawColor=this.argbCurrent,this.shader.setLastColix(this.argbCurrent,this.inGreyscaleMode));this.shadesCurrent=this.getShades(a);this.currentShadeIndex=-1;this.setColor(this.getColorArgbOrGray(a));return!0},"~N");c(c$,"setScreened",function(a){this.wasScreened!=a&&((this.wasScreened=a)?(null==this.pixelScreened&&(this.pixelScreened= +new J.g3d.PixelatorScreened(this,this.pixel0)),null==this.pixel.p0?this.pixel=this.pixelScreened:this.pixel.p0=this.pixelScreened):null==this.pixel.p0||this.pixel===this.pixelScreened?this.pixel=this.isPass2?this.pixelT0:this.pixel0:this.pixel.p0=this.isPass2?this.pixelT0:this.pixel0);return this.pixel},"~B");j(c$,"drawFilledCircle",function(a,b,d,g,c,e){if(!this.isClippedZ(e)){var h=y((d+1)/2),h=g=this.width||c=this.height;if(!h||!this.isClippedXY(d,g,c))0!=a&&this.setC(a)&&(h?this.isClippedXY(d, +g,c)||this.circle3d.plotCircleCenteredClipped(g,c,e,d):this.circle3d.plotCircleCenteredUnclipped(g,c,e,d)),0!=b&&this.setC(b)&&(h?this.circle3d.plotFilledCircleCenteredClipped(g,c,e,d):this.circle3d.plotFilledCircleCenteredUnclipped(g,c,e,d))}},"~N,~N,~N,~N,~N,~N");j(c$,"volumeRender4",function(a,b,d,g){if(1==a)this.plotPixelClippedArgb(this.argbCurrent,b,d,g,this.width,this.zbuf,this.pixel);else if(!this.isClippedZ(g)){var c=y((a+1)/2),c=b=this.width||d=this.height;if(!c||!this.isClippedXY(a, +b,d))c?this.circle3d.plotFilledCircleCenteredClipped(b,d,g,a):this.circle3d.plotFilledCircleCenteredUnclipped(b,d,g,a)}},"~N,~N,~N,~N");j(c$,"fillSphereXYZ",function(a,b,d,g){switch(a){case 1:this.plotPixelClippedArgb(this.argbCurrent,b,d,g,this.width,this.zbuf,this.pixel);return;case 0:return}a<=(this.antialiasThisFrame?2E3:1E3)&&this.sphere3d.render(this.shadesCurrent,a,b,d,g,null,null,null,-1,null)},"~N,~N,~N,~N");j(c$,"volumeRender",function(a){a?(this.saveAmbient=this.getAmbientPercent(),this.saveDiffuse= +this.getDiffusePercent(),this.setAmbientPercent(100),this.setDiffusePercent(0),this.addRenderer(1073741880)):(this.setAmbientPercent(this.saveAmbient),this.setDiffusePercent(this.saveDiffuse))},"~B");j(c$,"fillSphereI",function(a,b){this.fillSphereXYZ(a,b.x,b.y,b.z)},"~N,JU.P3i");j(c$,"fillSphereBits",function(a,b){this.fillSphereXYZ(a,Math.round(b.x),Math.round(b.y),Math.round(b.z))},"~N,JU.P3");j(c$,"fillEllipsoid",function(a,b,d,g,c,e,h,k,l,j,m){switch(e){case 1:this.plotPixelClippedArgb(this.argbCurrent, +d,g,c,this.width,this.zbuf,this.pixel);return;case 0:return}e<=(this.antialiasThisFrame?2E3:1E3)&&this.sphere3d.render(this.shadesCurrent,e,d,g,c,h,k,l,j,m)},"JU.P3,~A,~N,~N,~N,~N,JU.M3,~A,JU.M4,~N,~A");j(c$,"drawRect",function(a,b,d,g,c,e){if(!(0!=g&&this.isClippedZ(g))){g=c-1;e-=1;c=a+g;var h=b+e;0<=b&&bg&&(a+=g,g=-g);0>a&&(g+=a,a=0);a+g>=this.width&&(g=this.width-1-a);var c=this.pixel,e=this.argbCurrent;a+=this.width*b;for(b=0;b<=g;b++)dg&&(b+=g,g=-g);0>b&&(g+=b,b=0);b+g>=this.height&&(g=this.height-1-b);a+=this.width*b;b=this.pixel;for(var c=this.argbCurrent,e=0;e<=g;e++)da){c+=a;if(0>=c)return;a=0}if(a+c>g&&(c=g-a,0>=c))return;if(0>b){e+=b;if(0>=e)return;b=0}b+e>this.height&&(e=this.height-b);for(var h=this.argbCurrent,k=this.zbuf,l=this.pixel;0<=--e;)this.plotPixelsUnclippedCount(h,c,a,b++,d,g,k,l)}},"~N,~N,~N,~N,~N,~N");j(c$,"drawString",function(a,b,d,c,f,e,h){this.currentShadeIndex=0;null!=a&&(this.isClippedZ(e)||this.drawStringNoSlab(a,b,d,c,f,h))},"~S,JU.Font,~N,~N,~N,~N,~N");j(c$,"drawStringNoSlab",function(a, +b,d,c,f,e){if(null!=a){null==this.strings&&(this.strings=Array(10));this.stringCount==this.strings.length&&(this.strings=JU.AU.doubleLength(this.strings));var h=new J.g3d.TextString;h.setText(a,null==b?this.currentFont:this.currentFont=b,this.argbCurrent,JU.C.isColixTranslucent(e)?this.getColorArgbOrGray(e)&16777215|(e&30720)<<13:0,d,c,f);this.strings[this.stringCount++]=h}},"~S,JU.Font,~N,~N,~N,~N");j(c$,"renderAllStrings",function(a){if(null!=this.strings){2<=this.stringCount&&(null==J.g3d.Graphics3D.sort&& +(J.g3d.Graphics3D.sort=new J.g3d.TextString),java.util.Arrays.sort(this.strings,J.g3d.Graphics3D.sort));for(var b=0;b=a+h||a>=this.width||0>=b+k||b>=this.height))if(c=this.apiPlatform.drawImageToBuffer(null,this.platform.offscreenImage,c,h,k,l?e:0),null!=c){var l=this.zbuf,j=this.width,m=this.pixel,p=this.height,B=this.translucencyLog; +if(null==f&&0<=a&&a+h<=j&&0<=b&&b+k<=p){var v=0,E=0;for(a=b*j+a;vc||(this.plotPoints(a,b,f,e),this.plotPoints(a,b,f,e));else this.plotPoints(a,b,0,0)},"~N,~A,~N");j(c$,"drawDashedLineBits",function(a,b,d,c){this.isAntialiased()&&(a+=a,b+=b);this.setScreeni(d,this.sA);this.setScreeni(c,this.sB);this.line3d.plotLineBits(this.argbCurrent,this.argbCurrent, +this.sA,this.sB,a,b,!0);this.isAntialiased()&&(Math.abs(d.x-c.x)this.ht3)){var m=0;this.currentShadeIndex=0;this.setC(b)||(b=0);this.wasScreened&&(m=2);this.setC(a)||(a=0);this.wasScreened&&(m+=1);0==a&&0==b||this.cylinder3d.renderOld(a,b,m,d,c,f,e,h,k,l,j)}},"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");j(c$,"fillCylinderScreen3I",function(a,b,d,c){b<=this.ht3&&this.cylinder3d.renderOld(this.colixCurrent, +this.colixCurrent,0,a,b,A(d.x),A(d.y),A(d.z),A(c.x),A(c.y),A(c.z))},"~N,~N,JU.P3,JU.P3,JU.P3,JU.P3,~N");j(c$,"fillCylinder",function(a,b,d,c){b<=this.ht3&&this.cylinder3d.renderOld(this.colixCurrent,this.colixCurrent,0,a,b,d.x,d.y,d.z,c.x,c.y,c.z)},"~N,~N,JU.P3i,JU.P3i");j(c$,"fillCylinderBits",function(a,b,d,c){b<=this.ht3&&(1!=d.z&&1!=c.z)&&(0==b||1==b?(this.setScreeni(d,this.sA),this.setScreeni(c,this.sB),this.line3d.plotLineBits(this.getColorArgbOrGray(this.colixCurrent),this.getColorArgbOrGray(this.colixCurrent), +this.sA,this.sB,0,0,!1)):this.cylinder3d.renderBitsFloat(this.colixCurrent,this.colixCurrent,0,a,b,d,c))},"~N,~N,JU.P3,JU.P3");j(c$,"fillCylinderBits2",function(a,b,d,c,f,e){if(!(c>this.ht3)){var h=0;this.currentShadeIndex=0;this.setC(b)||(b=0);this.wasScreened&&(h=2);this.setC(a)||(a=0);this.wasScreened&&(h+=1);0==a&&0==b||(this.setScreeni(f,this.sA),this.setScreeni(e,this.sB),this.cylinder3d.renderBits(a,b,h,d,c,this.sA,this.sB))}},"~N,~N,~N,~N,JU.P3,JU.P3");j(c$,"fillConeScreen3f",function(a,b, +d,c,f){b<=this.ht3&&this.cylinder3d.renderConeOld(this.colixCurrent,a,b,d.x,d.y,d.z,c.x,c.y,c.z,!0,f)},"~N,~N,JU.P3,JU.P3,~B");j(c$,"drawHermite4",function(a,b,d,c,f){this.hermite3d.renderHermiteRope(!1,a,0,0,0,b,d,c,f)},"~N,JU.P3,JU.P3,JU.P3,JU.P3");j(c$,"drawHermite7",function(a,b,d,c,f,e,h,k,l,j,m,p,B){if(0==B)this.hermite3d.renderHermiteRibbon(a,b,d,c,f,e,h,k,l,j,m,p,0);else{this.hermite3d.renderHermiteRibbon(a,b,d,c,f,e,h,k,l,j,m,p,1);var v=this.colixCurrent;this.setC(B);this.hermite3d.renderHermiteRibbon(a, +b,d,c,f,e,h,k,l,j,m,p,-1);this.setC(v)}},"~B,~B,~N,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,~N,~N");j(c$,"fillHermite",function(a,b,d,c,f,e,h,k){this.hermite3d.renderHermiteRope(!0,a,b,d,c,f,e,h,k)},"~N,~N,~N,~N,JU.P3,JU.P3,JU.P3,JU.P3");j(c$,"drawTriangle3C",function(a,b,d,c,f,e,h){1==(h&1)&&this.drawLine(b,c,a.x,a.y,a.z,d.x,d.y,d.z);2==(h&2)&&this.drawLine(c,e,d.x,d.y,d.z,f.x,f.y,f.z);4==(h&4)&&this.drawLine(b,e,a.x,a.y,a.z,f.x,f.y,f.z)},"JU.P3i,~N,JU.P3i,~N,JU.P3i,~N,~N");j(c$,"fillTriangleTwoSided", +function(a,b,d,c){this.setColorNoisy(this.getShadeIndex(a));this.fillTriangleP3f(b,d,c,!1)},"~N,JU.P3,JU.P3,JU.P3");c(c$,"fillTriangleP3f",function(a,b,d,c){this.setScreeni(a,this.sA);this.setScreeni(b,this.sB);this.setScreeni(d,this.sC);this.triangle3d.fillTriangle(this.sA,this.sB,this.sC,c)},"JU.P3,JU.P3,JU.P3,~B");j(c$,"fillTriangle3f",function(a,b,d,c){var f=this.getShadeIndexP3(a,b,d,c);0>f||(c?this.setColorNoisy(f):this.setColor(this.shadesCurrent[f]),this.fillTriangleP3f(a,b,d,!1))},"JU.P3,JU.P3,JU.P3,~B"); +j(c$,"fillTriangle3i",function(a,b,d,c,f,e,h){h&&(c=this.vectorAB,c.set(b.x-a.x,b.y-a.y,b.z-a.z),null==d?c=this.shader.getShadeIndex(-c.x,-c.y,c.z):(this.vectorAC.set(d.x-a.x,d.y-a.y,d.z-a.z),c.cross(c,this.vectorAC),c=0<=c.z?this.shader.getShadeIndex(-c.x,-c.y,c.z):this.shader.getShadeIndex(c.x,c.y,-c.z)),56a?this.shadeIndexes2Sided[~a]:this.shadeIndexes[a]},"~N");c(c$,"setTriangleTranslucency",function(a,b,d){this.isPass2&&(a&=14336,b&=14336,d&=14336,this.translucencyMask=(JU.GData.roundInt(y((a+b+d)/3))&30720)<<13|16777215)},"~N,~N,~N");j(c$,"fillQuadrilateral",function(a,b,d,c,f){f=this.getShadeIndexP3(a, +b,d,f);0>f||(this.setColorNoisy(f),this.fillTriangleP3f(a,b,d,!1),this.fillTriangleP3f(a,d,c,!1))},"JU.P3,JU.P3,JU.P3,JU.P3,~B");j(c$,"drawSurface",function(){},"JU.MeshSurface,~N");j(c$,"plotPixelClippedP3i",function(a){this.plotPixelClippedArgb(this.argbCurrent,a.x,a.y,a.z,this.width,this.zbuf,this.pixel)},"JU.P3i");c(c$,"plotPixelClippedArgb",function(a,b,d,c,f,e,h){this.isClipped3(b,d,c)||(b=d*f+b,cb||(b>=h||0>d||d>=k)||j.addImagePixel(f,m,d*h+b,c,a,e)},"~N,~N,~N,~N,~N,~N,~N,~N,~A,~O,~N");c(c$,"plotPixelsClippedRaster",function(a,b,d,c,f,e,h){var k,l;if(!(0>=a||0>d||d>=this.height||b>=this.width||c<(l=this.slab)&&f(k=this.depth)&&f>k)){var j=this.zbuf,m=(b<<16)+(d<<1)^858993459,p=(c<<10)+512;c=f-c;f=y(a/2);c=JU.GData.roundInt(y(((c<<10)+(0<=c?f:-f))/ +a));if(0>b){b=-b;p+=c*b;a-=b;if(0>=a)return;b=0}a+b>this.width&&(a=this.width-b);b=d*this.width+b;d=this.pixel;if(null==e){e=this.argbNoisyDn;f=this.argbNoisyUp;for(var B=this.argbCurrent;0<=--a;){h=p>>10;if(h>=l&&h<=k&&h>16&7;d.addPixel(b,h,0==v?e:1==v?f:B)}++b;p+=c}}else{m=e.r<<8;f=y((h.r-e.r<<8)/a);B=e.g;v=y((h.g-B)/a);e=e.b;for(var E=y((h.b-e)/a);0<=--a;)h=p>>10,h>=l&&(h<=k&&h>8&255),++b,p+=c,m+= +f,B+=v,e+=E}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16");c(c$,"plotPixelsUnclippedRaster",function(a,b,d,c,f,e,h){if(!(0>=a)){var k=((b<<16)+(d<<1)^858993459)&2147483647,l=(c<<10)+512;c=f-c;f=y(a/2);c=JU.GData.roundInt(y(((c<<10)+(0<=c?f:-f))/a));b=d*this.width+b;d=this.zbuf;f=this.pixel;if(null==e){e=this.argbNoisyDn;for(var j=this.argbNoisyUp,m=this.argbCurrent;0<=--a;){h=l>>10;if(h>16&7;f.addPixel(b,h,0==p?e:1==p?j:m)}++b;l+=c}}else{k=e.r<<8;j=JU.GData.roundInt(y((h.r- +e.r<<8)/a));m=e.g;p=JU.GData.roundInt(y((h.g-m)/a));e=e.b;for(var B=JU.GData.roundInt(y((h.b-e)/a));0<=--a;)h=l>>10,h>8&255),++b,l+=c,k+=j,m+=p,e+=B}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16");c(c$,"plotPixelsClippedRasterBits",function(a,b,d,c,f,e,h,k,l){var j,m;if(!(0>=a||0>d||d>=this.height||b>=this.width||c<(m=this.slab)&&f(j=this.depth)&&f>j)){c=this.zbuf;var p=(b<<16)+(d<<1)^858993459;if(0>b){a-=-b;if(0>=a)return;b=0}a+b>this.width&&(a= +this.width-b);d=d*this.width+b;f=this.pixel;if(null==e){e=this.argbNoisyDn;for(var B=this.argbNoisyUp,v=this.argbCurrent;0<=--a;){h=this.line3d.getZCurrent(k,l,b++);if(h>=m&&h<=j&&h>16&7;f.addPixel(d,h,2>E?e:6>E?B:v)}++d}}else{p=e.r<<8;B=y((h.r-e.r<<8)/a);v=e.g;E=y((h.g-v)/a);e=e.b;for(var I=y((h.b-e)/a);0<=--a;)h=this.line3d.getZCurrent(k,l,b++),h>=m&&(h<=j&&h>8&255),++d,p+=B,v+=E,e+=I}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16,~N,~N"); +c(c$,"plotPixelsUnclippedRasterBits",function(a,b,d,c,f,e,h){if(!(0>=a)){var k=((b<<16)+(d<<1)^858993459)&2147483647;d=d*this.width+b;var l=this.zbuf,j=this.pixel;if(null==c)for(var m=this.argbNoisyDn,p=this.argbNoisyUp,B=this.argbCurrent;0<=--a;)f=this.line3d.getZCurrent(e,h,b++),f>16&7,j.addPixel(d,f,0==c?m:1==c?p:B)),++d;else{k=c.r<<8;m=JU.GData.roundInt(y((f.r-c.r<<8)/a));p=c.g;B=JU.GData.roundInt(y((f.g-p)/a));c=c.b;for(var v=JU.GData.roundInt(y((f.b- +c)/a));0<=--a;)f=this.line3d.getZCurrent(e,h,b++),f>8&255),++d,k+=m,p+=B,c+=v}}},"~N,~N,~N,JU.Rgb16,JU.Rgb16,~N,~N");c(c$,"plotPixelsUnclippedCount",function(a,b,d,c,f,e,h,k){for(d=c*e+d;0<=--b;)fa?a+1:63];this.argbNoisyDn=this.shadesCurrent[0a.z?this.shader.getShadeIndex(a.x,a.y,-a.z):c?-1:this.shader.getShadeIndex(-a.x,-a.y,a.z)},"JU.P3,JU.P3,JU.P3,~B");j(c$,"renderBackground",function(a){null!=this.backgroundImage&&this.plotImage(-2147483648,0,-2147483648,this.backgroundImage,a,0,0,0)},"J.api.JmolRendererInterface");j(c$,"drawAtom",function(a){this.fillSphereXYZ(a.sD,a.sX,a.sY,a.sZ)},"JM.Atom,~N");j(c$,"getExportType",function(){return 0}); +j(c$,"getExportName",function(){return null});c(c$,"canDoTriangles",function(){return!0});c(c$,"isCartesianExport",function(){return!1});j(c$,"initializeExporter",function(){return null},"JV.Viewer,~N,JU.GData,java.util.Map");j(c$,"finalizeOutput",function(){return null});j(c$,"drawBond",function(){},"JU.P3,JU.P3,~N,~N,~N,~N,~N");j(c$,"drawEllipse",function(){return!1},"JU.P3,JU.P3,JU.P3,~B,~B");c(c$,"getPrivateKey",function(){return 0});j(c$,"clearFontCache",function(){J.g3d.TextRenderer.clearFontCache()}); +c(c$,"setRotationMatrix",function(a){for(var b=JU.Normix.getVertexVectors(),d=JU.GData.normixCount;0<=--d;){var c=this.transformedVectors[d];a.rotate2(b[d],c);this.shadeIndexes[d]=this.shader.getShadeB(c.x,-c.y,c.z);this.shadeIndexes2Sided[d]=0<=c.z?this.shadeIndexes[d]:this.shader.getShadeB(-c.x,c.y,-c.z)}},"JU.M3");j(c$,"renderCrossHairs",function(a,b,d,c,f){b=this.isAntialiased();this.setC(0>f?10:100>=1;this.setC(a[1]c.x?21:11);this.drawRect(f+k,d,e,0,k,b);this.setC(a[3]c.y?21:11);this.drawRect(f,d+k,e,0,b,k)},"~A,~N,~N,JU.P3,~N");j(c$,"initializeOutput",function(){return!1},"JV.Viewer,~N,java.util.Map");F(c$,"sort",null,"nullShadeIndex", +50)});s("J.g3d");u(["J.g3d.PrecisionRenderer","java.util.Hashtable"],"J.g3d.LineRenderer",["java.lang.Float","JU.BS"],function(){c$=t(function(){this.lineBits=this.shader=this.g3d=null;this.slope=0;this.lineTypeX=!1;this.nBits=0;this.slopeKey=this.lineCache=null;this.z2t=this.y2t=this.x2t=this.z1t=this.y1t=this.x1t=0;n(this,arguments)},J.g3d,"LineRenderer",J.g3d.PrecisionRenderer);O(c$,function(){this.lineCache=new java.util.Hashtable});r(c$,function(a){K(this,J.g3d.LineRenderer,[]);this.g3d=a;this.shader= +a.shader},"J.g3d.Graphics3D");c(c$,"setLineBits",function(a,b){this.slope=0!=a?b/a:0<=b?3.4028235E38:-3.4028235E38;this.nBits=(this.lineTypeX=1>=this.slope&&-1<=this.slope)?this.g3d.width:this.g3d.height;this.slopeKey=Float.$valueOf(this.slope);if(this.lineCache.containsKey(this.slopeKey))this.lineBits=this.lineCache.get(this.slopeKey);else{this.lineBits=JU.BS.newN(this.nBits);b=Math.abs(b);a=Math.abs(a);if(b>a){var d=a;a=b;b=d}for(var d=0,c=a+a,f=b+b,e=0;ea&&(this.lineBits.set(e), +d-=c);this.lineCache.put(this.slopeKey,this.lineBits)}},"~N,~N");c(c$,"clearLineCache",function(){this.lineCache.clear()});c(c$,"plotLineOld",function(a,b,d,c,f,e,h,k){this.x1t=d;this.x2t=e;this.y1t=c;this.y2t=h;this.z1t=f;this.z2t=k;var l=!0;switch(this.getTrimmedLineImpl()){case 0:l=!1;break;case 2:return}this.plotLineClippedOld(a,b,d,c,f,e-d,h-c,k-f,l,0,0)},"~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"plotLineDeltaOld",function(a,b,d,c,f,e,h,k,l){this.x1t=d;this.x2t=d+e;this.y1t=c;this.y2t=c+h;this.z1t=f; +this.z2t=f+k;if(l)switch(this.getTrimmedLineImpl()){case 2:return;case 0:l=!1}this.plotLineClippedOld(a,b,d,c,f,e,h,k,l,0,0)},"~N,~N,~N,~N,~N,~N,~N,~N,~B");c(c$,"plotLineDeltaAOld",function(a,b,d,c,f,e,h,k,l,j,m){this.x1t=f;this.x2t=f+k;this.y1t=e;this.y2t=e+l;this.z1t=h;this.z2t=h+j;if(m)switch(this.getTrimmedLineImpl()){case 2:return;case 0:m=!1}var p=this.g3d.zbuf,B=this.g3d.width,v=0,E=e*B+f,I=this.g3d.bufferSize,q=63>c?c+1:c,n=0k&&(k=-k,m=-1);0>l&&(l=-l,n=-B);B=k+k;e=l+l;h<<=10;if(l<=k){var u=k-1;0>j&&(u=-u);j=y(((j<<10)+u)/k);l=0;u=Math.abs(f-this.x2t)-1;f=Math.abs(f-this.x1t)-1;for(var w=k-1,A=y(w/2);--w>=u;){if(w==A){a=t;if(0==a)break;r=q;s=b;0!=d%3&&(c=this.g3d.setScreened(2==(d&2)),this.g3d.currentShadeIndex=0)}E+=m;h+=j;l+=e;l>k&&(E+=n,l-=B);if(0!=a&&wv){var z=h>>10;if(zC?s:170j&&(u=-u);j=y(((j<<10)+u)/l);k=0;u=Math.abs(w-this.y2t)-1;f=Math.abs(w-this.y1t)-1;w=l-1;for(A=y(w/2);--w>=u;){if(w==A){a=t;if(0==a)break;r=q;s=b;0!=d%3&&(c=this.g3d.setScreened(2==(d&2)),this.g3d.currentShadeIndex=0)}E+=n;h+=j;k+=B;k>l&&(E+=m,k-=e);0!=a&&(wv)&&(z=h>>10,zC? +s:170d?d+1:d,p=0m)&&(c=this.getZCurrent(this.a, +this.b,q),cI?E:170s;)s+=this.nBits;this.lineBits.get(s%this.nBits)&&(p+=v)}}},"~A,~A,~N,JU.P3,JU.P3,~N,~B");c(c$,"plotLineDeltaABitsInt",function(a,b,d,c,f,e,h){var k=c.x,l=c.y,j=c.z,m=f.x,p=f.y,B=f.z,v=m-k,E=p-l;this.x1t=k;this.x2t=m;this.y1t=l;this.y2t=p;this.z1t=j;this.z2t=B;if(!(h&&2==this.getTrimmedLineImpl())){h=this.g3d.zbuf;var I=this.g3d.width,m=0,B=63>d?d+1:d,p=0m)&&(c=this.getZCurrent(this.a,this.b,q),cI?E:170s;)s+=this.nBits;this.lineBits.get(s%this.nBits)&&(p+=v)}}},"~A,~A,~N,JU.P3i,JU.P3i,~N,~B");c(c$,"plotLineBits",function(a,b,d,c,f,e,h){if(!(1>=d.z||1>=c.z)){var k=!0;this.x1t=d.x;this.y1t=d.y;this.z1t=d.z;this.x2t=c.x;this.y2t=c.y;this.z2t=c.z;switch(this.getTrimmedLineImpl()){case 2:return; +case 0:k=!1;break;default:h&&(d.set(this.x1t,this.y1t,this.z1t),c.set(this.x2t,this.y2t,this.z2t))}h=this.g3d.zbuf;var l=this.g3d.width,j=0;0==f&&(e=2147483647,f=1);var m=d.x,p=d.y,B=d.z,v=c.x-m,E=m+v,I=c.y-p,q=p+I,n=p*l+m,s=this.g3d.bufferSize,r=this.g3d.pixel;0!=a&&(!k&&0<=n&&nv&&(v=-v,k=-1);0>I&&(I=-I,B=-l,t=-1);var l=v+v,w=I+I;if(I<=v){this.setRastAB(d.x,d.z,c.x,c.z);p=0;d=Math.abs(E-this.x2t)-1;E=Math.abs(E-this.x1t)-1;q=v-1;for(c= +y(q/2);--q>=d&&!(q==c&&(a=b,0==a));){n+=k;m+=k;p+=w;p>v&&(n+=B,p-=l);if(0!=a&&q=d&&!(q==c&&(a=b,0==a));)n+=B,p+=t,m+=l,m>I&&(n+=k,m-=w),0!=a&&(qe&&(e=-e,l=-1);0>h&&(h=-h,s=-B);B=e+e;c=h+h;f<<=10;if(h<=e){var t=e-1;0>k&&(t=-t);k=y(((k<<10)+t)/e);h=0;t=Math.abs(d-this.x2t)-1;d=Math.abs(d-this.x1t)-1;for(var r=e-1,w=y(r/2);--r>=t&&!(r==w&&(a=b,0==a));){E+=l;f+=k;h+=c;h>e&&(E+=s,h-=B);if(0!=a&&r>10;uk&&(t=-t);k=y(((k<<10)+t)/h); +e=0;t=Math.abs(r-this.y2t)-1;d=Math.abs(r-this.y1t)-1;r=h-1;for(w=y(r/2);--r>=t&&!(r==w&&(a=b,0==a));)E+=s,f+=k,e+=B,e>h&&(E+=l,e-=c),0!=a&&(r>10,ub&&(this.zb[a]=2147483647)},"~N,~N");c(c$,"addPixel",function(a,b,d){this.zb[a]=b;this.pb[a]=d},"~N,~N,~N");c(c$,"addImagePixel",function(a,b,d,c,f,e){if(c=a&&(b=this.pb[d],0!=e&&(b=J.g3d.Graphics3D.mergeBufferPixel(b, +e,e)),b=J.g3d.Graphics3D.mergeBufferPixel(b,f&16777215|a<<24,this.bgcolor),this.addPixel(d,c,b))}},"~N,~N,~N,~N,~N,~N")});s("J.g3d");u(["J.g3d.Pixelator"],"J.g3d.PixelatorT",["J.g3d.Graphics3D"],function(){c$=C(J.g3d,"PixelatorT",J.g3d.Pixelator);j(c$,"clearPixel",function(){},"~N,~N");j(c$,"addPixel",function(a,b,d){var c=this.g.zbufT[a];if(bthis.g.zMargin)&&(this.pb[a]=J.g3d.Graphics3D.mergeBufferPixel(this.pb[a],f,this.g.bgcolor)); +this.g.zbufT[a]=b;this.g.pbufT[a]=d&this.g.translucencyMask}else b!=c&&!this.g.translucentCoverOnly&&b-c>this.g.zMargin&&(this.pb[a]=J.g3d.Graphics3D.mergeBufferPixel(this.pb[a],d&this.g.translucencyMask,this.g.bgcolor))},"~N,~N,~N")});s("J.g3d");u(["J.g3d.Pixelator"],"J.g3d.PixelatorShaded",null,function(){c$=t(function(){this.tmp=this.bgRGB=null;this.zShadePower=this.zDepth=this.zSlab=0;n(this,arguments)},J.g3d,"PixelatorShaded",J.g3d.Pixelator);r(c$,function(a){K(this,J.g3d.PixelatorShaded,[a]); +this.tmp=z(3,0)},"J.g3d.Graphics3D");c(c$,"set",function(a,b,d){this.bgcolor=this.g.bgcolor;this.bgRGB=z(-1,[this.bgcolor&255,this.bgcolor>>8&255,this.g.bgcolor>>16&255]);this.zSlab=0>a?0:a;this.zDepth=0>b?0:b;this.zShadePower=d;this.p0=this.g.pixel0;return this},"~N,~N,~N");j(c$,"addPixel",function(a,b,d){if(!(b>this.zDepth)){if(b>=this.zSlab&&0>8;c[2]=d>>16;var e=(this.zDepth-b)/(this.zDepth-this.zSlab);if(1h;h++)c[h]=f[h]+A(e*((c[h]&255)-f[h]));d=c[2]<<16|c[1]<<8|c[0]|d&4278190080}this.p0.addPixel(a,b,d)}},"~N,~N,~N");c(c$,"showZBuffer",function(){for(var a=this.p0.zb.length;0<=--a;)if(0!=this.p0.pb[a]){var b=A(Math.min(255,Math.max(0,255*(this.zDepth-this.p0.zb[a])/(this.zDepth-this.zSlab))));this.p0.pb[a]=4278190080|b|b<<8|b<<16}})});s("J.g3d");u(["J.g3d.Pixelator"],"J.g3d.PixelatorScreened",null,function(){c$=C(J.g3d,"PixelatorScreened",J.g3d.Pixelator);r(c$, +function(a,b){K(this,J.g3d.PixelatorScreened,[a]);this.width=a.width;this.p0=b},"J.g3d.Graphics3D,J.g3d.Pixelator");j(c$,"addPixel",function(a,b,d){a%this.width%2==y(a/this.width)%2&&this.p0.addPixel(a,b,d)},"~N,~N,~N")});s("J.g3d");c$=t(function(){this.bufferSizeT=this.bufferSize=this.bufferHeight=this.bufferWidth=this.windowSize=this.windowHeight=this.windowWidth=0;this.zBufferT=this.zBuffer=this.pBufferT=this.pBuffer=this.bufferedImage=null;this.heightOffscreen=this.widthOffscreen=0;this.apiPlatform= +this.graphicsForTextOrImage=this.offscreenImage=null;n(this,arguments)},J.g3d,"Platform3D");r(c$,function(a){this.apiPlatform=a},"J.api.GenericPlatform");c(c$,"getGraphicsForMetrics",function(){return this.apiPlatform.getGraphics(this.allocateOffscreenImage(1,1))});c(c$,"allocateTBuffers",function(a){this.bufferSizeT=a?this.bufferSize:this.windowSize;this.zBufferT=z(this.bufferSizeT,0);this.pBufferT=z(this.bufferSizeT,0)},"~B");c(c$,"allocateBuffers",function(a,b,d,c){this.windowWidth=a;this.windowHeight= +b;this.windowSize=a*b;d&&(a*=2,b*=2);this.bufferWidth=a;this.bufferHeight=b;this.bufferSize=this.bufferWidth*this.bufferHeight;this.zBuffer=z(this.bufferSize,0);this.pBuffer=z(this.bufferSize,0);this.bufferedImage=this.apiPlatform.allocateRgbImage(this.windowWidth,this.windowHeight,this.pBuffer,this.windowSize,J.g3d.Platform3D.backgroundTransparent,c)},"~N,~N,~B,~B");c(c$,"releaseBuffers",function(){this.windowWidth=this.windowHeight=this.bufferWidth=this.bufferHeight=this.bufferSize=-1;null!=this.bufferedImage&& +(this.apiPlatform.flushImage(this.bufferedImage),this.bufferedImage=null);this.zBufferT=this.pBufferT=this.zBuffer=this.pBuffer=null});c(c$,"hasContent",function(){for(var a=this.bufferSize;0<=--a;)if(2147483647!=this.zBuffer[a])return!0;return!1});c(c$,"clearScreenBuffer",function(){for(var a=this.bufferSize;0<=--a;)this.zBuffer[a]=2147483647,this.pBuffer[a]=0});c(c$,"setBackgroundColor",function(a){if(null!=this.pBuffer)for(var b=this.bufferSize;0<=--b;)0==this.pBuffer[b]&&(this.pBuffer[b]=a)}, +"~N");c(c$,"clearTBuffer",function(){for(var a=this.bufferSizeT;0<=--a;)this.zBufferT[a]=2147483647,this.pBufferT[a]=0});c(c$,"clearBuffer",function(){this.clearScreenBuffer()});c(c$,"clearScreenBufferThreaded",function(){});c(c$,"notifyEndOfRendering",function(){this.apiPlatform.notifyEndOfRendering()});c(c$,"getGraphicsForTextOrImage",function(a,b){if(a>this.widthOffscreen||b>this.heightOffscreen)null!=this.offscreenImage&&(this.apiPlatform.disposeGraphics(this.graphicsForTextOrImage),this.apiPlatform.flushImage(this.offscreenImage)), +a>this.widthOffscreen&&(this.widthOffscreen=a),b>this.heightOffscreen&&(this.heightOffscreen=b),this.offscreenImage=this.allocateOffscreenImage(this.widthOffscreen,this.heightOffscreen),this.graphicsForTextOrImage=this.apiPlatform.getStaticGraphics(this.offscreenImage,J.g3d.Platform3D.backgroundTransparent);return this.graphicsForTextOrImage},"~N,~N");c(c$,"allocateOffscreenImage",function(a,b){return this.apiPlatform.newOffScreenImage(a,b)},"~N,~N");c(c$,"setBackgroundTransparent",function(a){J.g3d.Platform3D.backgroundTransparent= +a},"~B");F(c$,"backgroundTransparent",!1);s("J.g3d");c$=t(function(){this.b=this.a=0;this.isOrthographic=!1;n(this,arguments)},J.g3d,"PrecisionRenderer");c(c$,"getZCurrent",function(a,b,d){return Math.round(1.4E-45==a?b:this.isOrthographic?a*d+b:a/(b-d))},"~N,~N,~N");c(c$,"setRastABFloat",function(a,b,d,c){var f=c-b,e=d-a;0==f||0==e?(this.a=1.4E-45,this.b=b):this.isOrthographic?(this.a=f/e,this.b=b-this.a*a):(this.a=e*b*(c/f),this.b=(d*c-a*b)/f)},"~N,~N,~N,~N");c(c$,"setRastAB",function(a,b,d,c){var f= +c-b,e=d-a;1.4E-45==a||0==f||0==e?(this.a=1.4E-45,this.b=c):this.isOrthographic?(this.a=f/e,this.b=b-this.a*a):(this.a=e*b*(c/f),this.b=(d*c-a*b)/f)},"~N,~N,~N,~N");s("J.g3d");u(["JU.P3"],"J.g3d.SphereRenderer",null,function(){c$=t(function(){this.mDeriv=this.coef=this.mat=this.zroot=this.shader=this.g3d=null;this.planeShade=this.selectedOctant=0;this.zbuf=null;this.offsetPbufBeginLine=this.slab=this.depth=this.height=this.width=0;this.dxyz=this.planeShades=this.ptTemp=null;n(this,arguments)},J.g3d, +"SphereRenderer");O(c$,function(){this.zroot=X(2,0);this.ptTemp=new JU.P3;this.planeShades=z(3,0);this.dxyz=H(3,3,0)});r(c$,function(a){this.g3d=a;this.shader=a.shader},"J.g3d.Graphics3D");c(c$,"render",function(a,b,d,c,f,e,h,k,l,j){if(1!=f&&(49>1,p=f-m;if(!(f+mthis.depth)){var B=d-m,v=d+m,E=c-m,q=c+m;this.shader.nOut=this.shader.nIn=0;this.zbuf=this.g3d.zbuf;this.height=this.g3d.height; +this.width=this.g3d.width;this.offsetPbufBeginLine=this.width*c+d;var n=this.shader;this.mat=e;if(null!=e&&(this.coef=h,this.mDeriv=k,this.selectedOctant=l,null==n.ellipsoidShades&&n.createEllipsoidShades(),null!=j)){this.planeShade=-1;for(h=0;3>h;h++)if(m=this.dxyz[h][0]=j[h].x-d,k=this.dxyz[h][1]=j[h].y-c,l=this.dxyz[h][2]=j[h].z-f,this.planeShades[h]=n.getShadeIndex(m,k,-l),0==m&&0==k){this.planeShade=this.planeShades[h];break}}if(null!=e||128B||v>=this.width||0>E||q>=this.height||pthis.depth?this.renderSphereClipped(r,d,c,f,b,a):this.renderSphereUnclipped(r,f,b,a)}this.zbuf=null}}},"~A,~N,~N,~N,~N,JU.M3,~A,JU.M4,~N,~A");c(c$,"renderSphereUnclipped",function(a,b,d,c){var f=0,e=1-(d&1),h=this.offsetPbufBeginLine,k=h-e*this.width;d=y((d+1)/2);var l=this.zbuf,j=this.width,m=this.g3d.pixel;do{var p=h,B=h-e,v=k, +E=k-e,q;do{q=a[f++];var n=b-(q&127);n>7&63]);n>13&63]);n>19&63]);n>25&63]);++p;--B;++v;--E}while(0<=q);h+=j;k-=j}while(0<--d)},"~A,~N,~N,~A");c(c$,"renderSphereClipped",function(a,b,d,c,f,e){var h=this.width,k=this.height,l=0,j=1-(f&1),m=this.offsetPbufBeginLine,p=m-j*h;f=y((f+1)/2);var B=d,v=d-j;d=(b<<16)+(d<<1)^858993459;var E=this.zbuf,q=this.g3d.pixel,n=this.slab,r=this.depth;do{var s=0<=B&& +B=n):(L=c-H,H=L=n&&L<=r){if(s){if(K&&L>7&7):C>>7&63;q.addPixel(u,L,e[M])}G&&L>13&7):C>>13&63,q.addPixel(w,L,e[M]))}t&&(K&&L>19&7):C>>19&63,q.addPixel(A,L,e[M])),G&&L>25&7):C>>25&63,q.addPixel(z,L,e[M])))}++u;--w;++A;--z;++D;--F;H&&(d=(d<<16)+(d<<1)+d&2147483647)}while(0<=C);m+=h;p-=h;++B; +--v}while(0<--f)},"~A,~N,~N,~N,~N,~A");c(c$,"renderQuadrant",function(a,b,d,c,f,e,h){e=y(e/2);var k=d+e*a,l=(0>d?-1:dk?-2:kc?-1:ck?-2:k=this.slab&&f<=this.depth?this.renderQuadrantUnclipped(e,a,b,f,h):this.renderQuadrantClipped(e,a,b,d,c,f,h)))},"~N,~N,~N,~N,~N,~N,~A");c(c$,"renderQuadrantUnclipped",function(a,b,d,c,f){for(var e=a*a,h=2*a+1,k=0>d?-this.width: +this.width,l=this.offsetPbufBeginLine,j=this.zbuf,m=this.g3d.pixel,p=this.shader.sphereShadeIndexes,B=0,v=0;v<=e;v+=B+ ++B,l+=k)for(var q=l,I=e-v,n=c-a,r=y((B*d+a<<8)/h),s=0,t=0;t<=I;t+=s+ ++s,q+=b)if(!(j[q]<=n)&&(n=y(Math.sqrt(I-t)),n=c-n,!(j[q]<=n))){var u=y((s*b+a<<8)/h);m.addPixel(q,n,f[p[(r<<8)+u]])}},"~N,~N,~N,~N,~A");c(c$,"renderQuadrantClipped",function(a,b,d,c,f,e,h){for(var k=null!=this.mat,l=0<=this.selectedOctant,j=a*a,m=2*a+1,p=0>d?-this.width:this.width,B=this.offsetPbufBeginLine,v= +(c<<16)+(f<<1)^858993459,q=0,n=0,r=this.g3d.pixel,s=0,t=this.height,u=this.width,w=this.zbuf,A=this.dxyz,z=this.slab,C=this.depth,D=this.ptTemp,F=this.coef,G=this.zroot,H=this.selectedOctant,K=this.shader,L=this.planeShades,M=K.sphereShadeIndexes,N=this.planeShade,O=this.mat,P=0,S=0,Q=f;S<=j;S+=P+ ++P,B+=p,Q+=d)if(0>Q){if(0>d)break}else if(Q>=t){if(0Z){if(0> +b)break}else if(Z>=u){if(0U){if(0<=X)break;continue}U=Math.sqrt(U);G[0]=-R-U;G[1]=-R+U;X=eD.x&&(U|=1);0>D.y&&(U|=2);0>D.z&&(U|=4);if(U==H){if(0<=N)n=N;else{$=3;n=3.4028235E38;for(R=0;3>R;R++)if(0!=(U=A[R][2]))U=e+(-A[R][0]*(Z-c)-A[R][1]*(Q-f))/U,U=z:RC||w[Y]<=s)continue}else{R=y(Math.sqrt(T-V));R=e+(e=z:RC||w[Y]<=R)continue}switch($){case 0:n=44+(v>>8&7);v=(v<<16)+(v<<1)+v&2147483647;$=1;break;case 2:n=K.getEllipsoidShade(Z,Q,G[X],a,this.mDeriv);break;case 3:r.clearPixel(Y,s);break;default:n=y((W*b+a<<8)/m),n=M[(q<<8)+n]}r.addPixel(Y,R,h[n])}v=(v+Z+Q|1)&2147483647}},"~N,~N,~N,~N,~N,~N,~A");F(c$,"maxOddSizeSphere",49,"maxSphereDiameter",1E3,"maxSphereDiameter2", +2E3,"SHADE_SLAB_CLIPPED",47)});s("J.g3d");u(["java.util.Hashtable"],"J.g3d.TextRenderer",["JU.CU"],function(){c$=t(function(){this.size=this.mapWidth=this.width=this.ascent=this.height=0;this.tmap=null;this.isInvalid=!1;n(this,arguments)},J.g3d,"TextRenderer");c$.clearFontCache=c(c$,"clearFontCache",function(){J.g3d.TextRenderer.working||(J.g3d.TextRenderer.htFont3d.clear(),J.g3d.TextRenderer.htFont3dAntialias.clear())});c$.plot=c(c$,"plot",function(a,b,d,c,f,e,h,k,l,j){if(0==e.length)return 0;if(0<= +e.indexOf("a||a+e.width>p||0>b||b+e.height>B)&&null!=(l=k))for(var r=k=0;r",n);if(0>r)continue;c=JU.CU.getArgbFromString(e.substring(n+ +7,r).trim());n=r;continue}if(n+7")){n+=7;c=q;continue}if(n+4")){n+=4;b+=B;continue}if(n+4")){n+=4;b+=v;continue}if(n+5")){n+=5;b-=B;continue}if(n+5")){n+=5;b-=v;continue}}r=J.g3d.TextRenderer.plot(a+m,b,d,c,f,e.substring(n,n+1),h,k,l,j);m+=r}return m},"~N,~N,~N,~N,~N,~S,JU.Font,J.g3d.Graphics3D,J.api.JmolRendererInterface,~B"); 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k},"~N,~N,J.g3d.Graphics3D,~S,JU.Font,~B");c(c$,"setTranslucency",function(a,b,d){a=d.apiPlatform.getTextPixels(a,b,d.platform.getGraphicsForTextOrImage(this.mapWidth,this.height),d.platform.offscreenImage,this.mapWidth,this.height,this.ascent);if(null!=a){this.tmap=P(this.size,0);for(b=a.length;0<=--b;)d=a[b]&255,0!=d&&(this.tmap[b]= +J.g3d.TextRenderer.translucency[d>>5])}},"~S,JU.Font,J.g3d.Graphics3D");F(c$,"translucency",P(-1,[7,6,5,4,3,2,1,8]),"working",!1);c$.htFont3d=c$.prototype.htFont3d=new java.util.Hashtable;c$.htFont3dAntialias=c$.prototype.htFont3dAntialias=new java.util.Hashtable});s("J.g3d");u(["JU.P3i"],"J.g3d.TextString",null,function(){c$=t(function(){this.font=this.text=null;this.bgargb=this.argb=0;n(this,arguments)},J.g3d,"TextString",JU.P3i,java.util.Comparator);c(c$,"setText",function(a,b,d,c,f,e,h){this.text= +a;this.font=b;this.argb=d;this.bgargb=c;this.x=f;this.y=e;this.z=h},"~S,JU.Font,~N,~N,~N,~N,~N");j(c$,"compare",function(a,b){return null==a||null==b?0:a.z>b.z?-1:a.z=this.az[0]||1>=this.az[1]||1>=this.az[2])){b=this.g3d.clipCode3(this.ax[0],this.ay[0],this.az[0]);d=this.g3d.clipCode3(this.ax[1],this.ay[1],this.az[1]);var f=this.g3d.clipCode3(this.ax[2],this.ay[2],this.az[2]),e=b|d|f;a=0!=e;if(!a||!(-1==e||0!=(b&d&f))){f=0;this.ay[1]this.ay[h])var k=e,e=h,h=k;b=this.ay[f];var l=this.ay[e],j=this.ay[h];d=j-b+1;if(!(d>3*this.g3d.height)){if(d>this.axW.length){var m=d+31&-32;this.axW=z(m,0);this.azW=z(m,0);this.axE=z(m,0);this.azE=z(m,0);this.aa=H(m,0);this.bb=H(m,0);this.rgb16sW=this.reallocRgb16s(this.rgb16sW,m);this.rgb16sE=this.reallocRgb16s(this.rgb16sE,m)}var p;c?(m=this.rgb16sW,p=this.rgb16sE):m=p=null;k=l-b;0==k?(this.ax[e]l&&(j=-j),this.ax[f]+y((l*k+j)/d)b&&(d+=b,h-=b,b=0);b+d>this.g3d.height&&(d=this.g3d.height-b);if(c)if(a)for(;--d>=f;++b,++h)a=this.axE[h]-(c=this.axW[h])+e,0=f;++b,++h)a=this.axE[h]-(c=this.axW[h])+e,1==f&&0>a&&(a=1,c--),0=f;++b,++h)a=this.axE[h]-(c=this.axW[h])+e,0=f;++b,++h)a=this.axE[h]-(c=this.axW[h])+e,1==f&&0>a&&(a=1,c--),0e)c[l]=s==u?this.ax[d]:k,f[l]=this.getZCurrent(v,q,t),r&&(this.setRastAB(this.axW[l],this.azW[l],c[l],f[l]),this.aa[l]=this.a,this.bb[l]=this.b);k+=n;p+=m;0=h.length?(2==a&&(0!=c.length&&0!=f.length)&& +b.put(f,c),a=0):0==h.indexOf("msgid")?(a=1,f=J.i18n.Resource.fix(h)):0==h.indexOf("msgstr")?(a=2,c=J.i18n.Resource.fix(h)):1==a?f+=J.i18n.Resource.fix(h):2==a&&(c+=J.i18n.Resource.fix(h))}}catch(k){if(!G(k,Exception))throw k;}JU.Logger.info(b.size()+" translations loaded");return 0==b.size()?null:new J.i18n.Resource(b,null)},"~S");c$.fix=c(c$,"fix",function(a){0<=a.indexOf('\\"')&&(a=JU.PT.rep(a,'\\"','"'));return JU.PT.rep(a.substring(a.indexOf('"')+1,a.lastIndexOf('"')),"\\n","\n")},"~S")});s("J.io"); +u(null,"J.io.FileReader","java.io.BufferedInputStream $.BufferedReader $.Reader java.util.zip.ZipInputStream javajs.api.GenericBinaryDocument JU.AU $.PT $.Rdr J.api.Interface JU.Logger".split(" "),function(){c$=t(function(){this.htParams=this.readerOrDocument=this.atomSetCollection=this.fileTypeIn=this.nameAsGivenIn=this.fullPathNameIn=this.fileNameIn=this.vwr=null;this.isAppend=!1;this.bytesOrStream=null;n(this,arguments)},J.io,"FileReader");r(c$,function(a,b,d,c,f,e,h,k){this.vwr=a;this.fileNameIn= +null==b?d:b;this.fullPathNameIn=null==d?this.fileNameIn:d;this.nameAsGivenIn=null==c?this.fileNameIn:c;this.fileTypeIn=f;null!=e&&(JU.AU.isAB(e)||q(e,java.io.BufferedInputStream)?(this.bytesOrStream=e,e=null):q(e,java.io.Reader)&&!q(e,java.io.BufferedReader)&&(e=new java.io.BufferedReader(e)));this.readerOrDocument=e;this.htParams=h;this.isAppend=k},"JV.Viewer,~S,~S,~S,~S,~O,java.util.Map,~B");c(c$,"run",function(){!this.isAppend&&this.vwr.displayLoadErrors&&this.vwr.zap(!1,!0,!1);var a=null,b=null; +this.fullPathNameIn.contains("#_DOCACHE_")&&(this.readerOrDocument=J.io.FileReader.getChangeableReader(this.vwr,this.nameAsGivenIn,this.fullPathNameIn));if(null==this.readerOrDocument){b=this.vwr.fm.getUnzippedReaderOrStreamFromName(this.fullPathNameIn,this.bytesOrStream,!0,!1,!1,!0,this.htParams);if(null==b||q(b,String)){a=null==b?"error opening:"+this.nameAsGivenIn:b;a.startsWith("NOTE:")||JU.Logger.error("file ERROR: "+this.fullPathNameIn+"\n"+a);this.atomSetCollection=a;return}if(q(b,java.io.BufferedReader))this.readerOrDocument= +b;else if(q(b,java.util.zip.ZipInputStream)){var a=this.fullPathNameIn,d=null,a=a.$replace("\\","/");0<=a.indexOf("|")&&!a.endsWith(".zip")&&(d=JU.PT.split(a,"|"),a=d[0]);null!=d&&this.htParams.put("subFileList",d);d=b;b=this.vwr.fm.getZipDirectory(a,!0,!0);this.atomSetCollection=b=this.vwr.fm.getJzu().getAtomSetCollectionOrBufferedReaderFromZip(this.vwr,d,a,b,this.htParams,1,!1);try{d.close()}catch(c){if(!G(c,Exception))throw c;}}}q(b,java.io.BufferedInputStream)&&(this.readerOrDocument=J.api.Interface.getInterface("JU.BinaryDocument", +this.vwr,"file").setStream(b,!this.htParams.containsKey("isLittleEndian")));if(null!=this.readerOrDocument){this.atomSetCollection=this.vwr.getModelAdapter().getAtomSetCollectionReader(this.fullPathNameIn,this.fileTypeIn,this.readerOrDocument,this.htParams);q(this.atomSetCollection,String)||(this.atomSetCollection=this.vwr.getModelAdapter().getAtomSetCollection(this.atomSetCollection));try{q(this.readerOrDocument,java.io.BufferedReader)?this.readerOrDocument.close():q(this.readerOrDocument,javajs.api.GenericBinaryDocument)&& +this.readerOrDocument.close()}catch(f){if(!G(f,java.io.IOException))throw f;}}q(this.atomSetCollection,String)||(!this.isAppend&&!this.vwr.displayLoadErrors&&this.vwr.zap(!1,!0,!1),this.vwr.fm.setFileInfo(w(-1,[this.fullPathNameIn,this.fileNameIn,this.nameAsGivenIn])))});c$.getChangeableReader=c(c$,"getChangeableReader",function(a,b,d){return JU.Rdr.getBR(a.getLigandModel(b,d,"_file",null))},"JV.Viewer,~S,~S");c(c$,"getAtomSetCollection",function(){return this.atomSetCollection})});s("J.render"); +u(["J.render.ShapeRenderer"],"J.render.BallsRenderer",["J.shape.Shape"],function(){c$=C(J.render,"BallsRenderer",J.render.ShapeRenderer);j(c$,"render",function(){var a=!1;if(this.isExport||this.vwr.checkMotionRendering(1140850689))for(var b=this.ms.at,d=this.shape.colixes,c=this.vwr.shm.bsRenderableAtoms,f=c.nextSetBit(0);0<=f;f=c.nextSetBit(f+1)){var e=b[f];0d?this.g3d.drawDashedLineBits(8,4,a,b):this.g3d.fillCylinderBits(this.endcap,d,a,b);c&&null!=this.tickInfo&&(this.checkTickTemps(),this.tickAs.setT(a),this.tickBs.setT(b),this.drawTicks(d,!0))},"JU.P3,JU.P3,~N,~B");c(c$,"checkTickTemps",function(){null==this.tickA&&(this.tickA=new JU.P3,this.tickB=new JU.P3,this.tickAs=new JU.P3,this.tickBs= +new JU.P3)});c(c$,"drawTicks",function(a,b){Float.isNaN(this.tickInfo.first)&&(this.tickInfo.first=0);this.drawTicks2(this.tickInfo.ticks.x,8,a,!b?null:null==this.tickInfo.tickLabelFormats?w(-1,["%0.2f"]):this.tickInfo.tickLabelFormats);this.drawTicks2(this.tickInfo.ticks.y,4,a,null);this.drawTicks2(this.tickInfo.ticks.z,2,a,null)},"~N,~B");c(c$,"drawTicks2",function(a,b,d,c){if(0!=a&&(this.g3d.isAntialiased()&&(b*=2),this.vectorT2.set(this.tickBs.x,this.tickBs.y,0),this.vectorT.set(this.tickAs.x, +this.tickAs.y,0),this.vectorT2.sub(this.vectorT),!(50>this.vectorT2.length()))){var f=this.tickInfo.signFactor;this.vectorT.sub2(this.tickB,this.tickA);var e=this.vectorT.length();if(null!=this.tickInfo.scale)if(Float.isNaN(this.tickInfo.scale.x)){var h=this.vwr.getUnitCellInfo(0);Float.isNaN(h)||this.vectorT.set(this.vectorT.x/h,this.vectorT.y/this.vwr.getUnitCellInfo(1),this.vectorT.z/this.vwr.getUnitCellInfo(2))}else this.vectorT.set(this.vectorT.x*this.tickInfo.scale.x,this.vectorT.y*this.tickInfo.scale.y, +this.vectorT.z*this.tickInfo.scale.z);h=this.vectorT.length()+1E-4*a;if(!(hd&&(d=1);this.vectorT2.set(-this.vectorT2.y,this.vectorT2.x,0);this.vectorT2.scale(b/this.vectorT2.length());b=this.tickInfo.reference;null==b?(this.pointT3.setT(this.vwr.getBoundBoxCenter()), +603979809==this.vwr.g.axesMode&&this.pointT3.add3(1,1,1)):this.pointT3.setT(b);this.tm.transformPtScr(this.pointT3,this.pt2i);b=0.2>Math.abs(this.vectorT2.x/this.vectorT2.y);for(var j=!b,m=!b&&0>this.vectorT2.x,p=null!=c&&0=this.tickInfo.first&&(this.pointT2.setT(this.pointT),this.tm.transformPt3f(this.pointT2,this.pointT2),this.drawLine(y(Math.floor(this.pointT2.x)),y(Math.floor(this.pointT2.y)),A(l),n=y(Math.floor(this.pointT2.x+this.vectorT2.x)), +v=y(Math.floor(this.pointT2.y+this.vectorT2.y)),A(l),d),p&&(this.draw000||0!=k))){q[0]=Float.$valueOf(0==k?0:k*f);var s=JU.PT.sprintf(c[r%c.length],"f",q);this.drawString(n,v,A(l),4,m,b,j,y(Math.floor(this.pointT2.y)),s)}this.pointT.add(this.vectorT);k+=a;l+=e;r++}}}},"~N,~N,~N,~A");c(c$,"drawLine",function(a,b,d,c,f,e,h){return this.drawLine2(a,b,d,c,f,e,h)},"~N,~N,~N,~N,~N,~N,~N");c(c$,"drawLine2",function(a,b,d,c,f,e,h){this.pt0.set(a,b,d);this.pt1.set(c,f,e);if(this.dotsOrDashes)null!=this.dashDots&& +this.drawDashed(a,b,d,c,f,e,this.dashDots);else{if(0>h)return this.g3d.drawDashedLineBits(8,4,this.pt0,this.pt1),1;this.g3d.fillCylinderBits(2,h,this.pt0,this.pt1)}return y((h+1)/2)},"~N,~N,~N,~N,~N,~N,~N");c(c$,"drawString",function(a,b,d,c,f,e,h,k,l){if(null!=l){var j=this.font3d.stringWidth(l),m=this.font3d.getAscent();a=f?a-(y(c/2)+2+j):e?a-(y(c/2)+2+y(j/2)):a+(y(c/2)+2);f=b;f=h?f+y(m/2):0==k||kb&&(b=1);this.g3d.drawString(l,this.font3d,a,f,b,b,0)}},"~N,~N,~N,~N,~B,~B,~B,~N,~S"); +c(c$,"drawDashed",function(a,b,d,c,f,e,h){if(!(null==h||0>this.width)){var k=h[0];c-=a;f-=b;e-=d;var l=0,j=h===J.render.FontLineShapeRenderer.ndots,m=j||h===J.render.FontLineShapeRenderer.sixdots;if(m){var p=(c*c+f*f)/(this.width*this.width);j?(k=Math.sqrt(p)/1.5,l=A(k)+2):8>p?h=J.render.FontLineShapeRenderer.twodots:32>p&&(h=J.render.FontLineShapeRenderer.fourdots)}var p=h[1],n=h[2],v=this.colixA,q=0==n?this.colixB:this.colixA;0==l&&(l=h.length);for(var r=0,s=3;s=this.holdRepaint&&(this.holdRepaint=0,a&&(this.repaintPending=!0,this.repaintNow(b)))},"~B,~S");j(c$,"requestRepaintAndWait",function(a){var b=null;JV.Viewer.isJS&&!JV.Viewer.isSwingJS&&(b=self.Jmol&&Jmol.repaint?Jmol:null);if(null==b)try{this.repaintNow(a),JV.Viewer.isJS||this.wait(this.vwr.g.repaintWaitMs),this.repaintPending&&(JU.Logger.error("repaintManager requestRepaintAndWait timeout"), +this.repaintDone())}catch(d){if(G(d,InterruptedException))System.out.println("repaintManager requestRepaintAndWait interrupted thread="+Thread.currentThread().getName());else throw d;}else b.repaint(this.vwr.html5Applet,!1),this.repaintDone()},"~S");j(c$,"repaintIfReady",function(a){if(this.repaintPending)return!1;this.repaintPending=!0;0==this.holdRepaint&&this.repaintNow(a);return!0},"~S");c(c$,"repaintNow",function(){this.vwr.haveDisplay&&this.vwr.apiPlatform.repaint(this.vwr.display)},"~S");j(c$, +"repaintDone",function(){this.repaintPending=!1});j(c$,"clear",function(a){if(null!=this.renderers)if(0<=a)this.renderers[a]=null;else for(a=0;37>a;++a)this.renderers[a]=null},"~N");c(c$,"getRenderer",function(a){if(null!=this.renderers[a])return this.renderers[a];var b=JV.JC.getShapeClassName(a,!0)+"Renderer";if(null==(b=J.api.Interface.getInterface(b,this.vwr,"render")))return null;b.setViewerG3dShapeID(this.vwr,a);return this.renderers[a]=b},"~N");j(c$,"render",function(a,b,d,c){null==this.renderers&& +(this.renderers=Array(37));this.getAllRenderers();try{var f=this.vwr.getBoolean(603979934);a.renderBackground(null);if(d){this.bsTranslucent.clearAll();null!=c&&a.renderCrossHairs(c,this.vwr.getScreenWidth(),this.vwr.getScreenHeight(),this.vwr.tm.getNavigationOffset(),this.vwr.tm.navigationDepthPercent);var e=this.vwr.getRubberBandSelection();null!=e&&a.setC(this.vwr.cm.colixRubberband)&&a.drawRect(e.x,e.y,0,0,e.width,e.height);this.vwr.noFrankEcho=!0}c=null;for(e=0;37>e&&a.currentlyRendering;++e){var h= +this.shapeManager.getShape(e);null!=h&&(f&&(c="rendering "+JV.JC.getShapeClassName(e,!1),JU.Logger.startTimer(c)),(d||this.bsTranslucent.get(e))&&this.getRenderer(e).renderShape(a,b,h)&&this.bsTranslucent.set(e),f&&JU.Logger.checkTimer(c,!1))}a.renderAllStrings(null)}catch(k){if(G(k,Exception)){k.printStackTrace();if(this.vwr.async&&"Interface".equals(k.getMessage()))throw new NullPointerException;JU.Logger.error("rendering error? "+k)}else throw k;}},"JU.GData,JM.ModelSet,~B,~A");c(c$,"getAllRenderers", +function(){for(var a=!0,b=0;37>b;++b)null==this.shapeManager.getShape(b)||null!=this.getRenderer(b)||(a=this.repaintPending=!this.vwr.async);if(!a)throw new NullPointerException;});j(c$,"renderExport",function(a,b,d){this.shapeManager.finalizeAtoms(null,!0);a=this.vwr.initializeExporter(d);if(null==a)return JU.Logger.error("Cannot export "+d.get("type")),null;null==this.renderers&&(this.renderers=Array(37));this.getAllRenderers();d=null;try{var c=this.vwr.getBoolean(603979934);a.renderBackground(a); +for(var f=0;37>f;++f){var e=this.shapeManager.getShape(f);null!=e&&(c&&(d="rendering "+JV.JC.getShapeClassName(f,!1),JU.Logger.startTimer(d)),this.getRenderer(f).renderShape(a,b,e),c&&JU.Logger.checkTimer(d,!1))}a.renderAllStrings(a);d=a.finalizeOutput()}catch(h){if(G(h,Exception))h.printStackTrace(),JU.Logger.error("rendering error? "+h);else throw h;}return d},"JU.GData,JM.ModelSet,java.util.Map")});s("J.render");u(null,"J.render.ShapeRenderer",["JV.JC"],function(){c$=t(function(){this.shape=this.ms= +this.g3d=this.tm=this.vwr=null;this.exportType=this.mad=this.colix=this.shapeID=this.myVisibilityFlag=0;this.isExport=!1;n(this,arguments)},J.render,"ShapeRenderer");c(c$,"initRenderer",function(){});c(c$,"setViewerG3dShapeID",function(a,b){this.vwr=a;this.tm=a.tm;this.shapeID=b;this.myVisibilityFlag=JV.JC.getShapeVisibilityFlag(b);this.initRenderer()},"JV.Viewer,~N");c(c$,"renderShape",function(a,b,d){this.setup(a,b,d);a=this.render();this.exportType=0;this.isExport=!1;return a},"J.api.JmolRendererInterface,JM.ModelSet,J.shape.Shape"); +c(c$,"setup",function(a,b,d){this.g3d=a;this.ms=b;this.shape=d;this.exportType=a.getExportType();this.isExport=0!=this.exportType},"J.api.JmolRendererInterface,JM.ModelSet,J.shape.Shape");c(c$,"isVisibleForMe",function(a){return a.isVisible(this.myVisibilityFlag|9)},"JM.Atom")});s("J.render");u(["J.render.FontLineShapeRenderer","JU.BS","$.P3","$.V3"],"J.render.SticksRenderer","java.lang.Float JU.A4 $.M3 J.c.PAL JU.C $.Edge".split(" "),function(){c$=t(function(){this.showMultipleBonds=!1;this.multipleBondRadiusFactor= +this.multipleBondSpacing=0;this.useBananas=this.bondsPerp=!1;this.modeMultipleBond=0;this.isCartesian=!1;this.endcaps=0;this.hbondsSolid=this.bondsBackbone=this.hbondsBackbone=this.ssbondsBackbone=!1;this.bond=this.b=this.a=null;this.bondOrder=this.mag2d=this.dy=this.dx=this.zB=this.yB=this.xB=this.zA=this.yA=this.xA=0;this.slabByAtom=this.slabbing=this.isAntialiased=this.wireframeOnly=!1;this.bsForPass2=this.p2=this.p1=this.z=this.y=this.x=null;this.isPass2=!1;this.dyStep=this.dxStep=this.yAxis2= +this.xAxis2=this.yAxis1=this.xAxis1=this.rTheta=0;this.a4=this.rot=null;n(this,arguments)},J.render,"SticksRenderer",J.render.FontLineShapeRenderer);O(c$,function(){this.x=new JU.V3;this.y=new JU.V3;this.z=new JU.V3;this.p1=new JU.P3;this.p2=new JU.P3;this.bsForPass2=JU.BS.newN(64)});j(c$,"render",function(){var a=this.ms.bo;if(null==a)return!1;(this.isPass2=this.vwr.gdata.isPass2)||this.bsForPass2.clearAll();this.slabbing=this.tm.slabEnabled;this.slabByAtom=this.vwr.getBoolean(603979939);this.endcaps= +3;this.dashDots=this.vwr.getBoolean(603979893)?J.render.FontLineShapeRenderer.sixdots:J.render.FontLineShapeRenderer.dashes;this.isCartesian=1==this.exportType;this.getMultipleBondSettings(!1);this.wireframeOnly=!this.vwr.checkMotionRendering(1677721602);this.ssbondsBackbone=this.vwr.getBoolean(603979952);this.hbondsBackbone=this.vwr.getBoolean(603979852);this.bondsBackbone=(new Boolean(this.hbondsBackbone|this.ssbondsBackbone)).valueOf();this.hbondsSolid=this.vwr.getBoolean(603979854);this.isAntialiased= +this.g3d.isAntialiased();var b=!1;if(this.isPass2){if(!this.isExport)for(var d=this.bsForPass2.nextSetBit(0);0<=d;d=this.bsForPass2.nextSetBit(d+1))this.bond=a[d],this.renderBond()}else for(d=this.ms.bondCount;0<=--d;)this.bond=a[d],0!=(this.bond.shapeVisibilityFlags&this.myVisibilityFlag)&&this.renderBond()&&(b=!0,this.bsForPass2.set(d));return b});c(c$,"getMultipleBondSettings",function(a){this.useBananas=this.vwr.getBoolean(603979886)&&!a;this.multipleBondSpacing=a?0.15:this.vwr.getFloat(570425370); +this.multipleBondRadiusFactor=a?0.4:this.vwr.getFloat(570425369);this.bondsPerp=this.useBananas||0this.multipleBondRadiusFactor;this.useBananas&&(this.multipleBondSpacing=0>this.multipleBondSpacing?0.4*-this.multipleBondSpacing:this.multipleBondSpacing);this.multipleBondRadiusFactor=Math.abs(this.multipleBondRadiusFactor);0==this.multipleBondSpacing&&this.isCartesian&&(this.multipleBondSpacing=0.2);this.modeMultipleBond=this.vwr.g.modeMultipleBond;this.showMultipleBonds= +0!=this.multipleBondSpacing&&0!=this.modeMultipleBond&&this.vwr.getBoolean(603979928)},"~B");c(c$,"renderBond",function(){var a,b;this.a=a=this.bond.atom1;this.b=b=this.bond.atom2;var d=this.bond.order&-131073;this.bondsBackbone&&(this.ssbondsBackbone&&0!=(d&256)?(this.a=this.a.group.getLeadAtomOr(this.a),this.b=this.b.group.getLeadAtomOr(this.b)):this.hbondsBackbone&&JU.Edge.isOrderH(d)&&(this.a=this.a.group.getLeadAtomOr(this.a),this.b=this.b.group.getLeadAtomOr(this.b)));if(!this.isPass2&&(!this.a.isVisible(9)|| +!this.b.isVisible(9)||!this.g3d.isInDisplayRange(this.a.sX,this.a.sY)||!this.g3d.isInDisplayRange(this.b.sX,this.b.sY)))return!1;if(this.slabbing){var c=this.vwr.gdata.isClippedZ(this.a.sZ);if(c&&this.vwr.gdata.isClippedZ(this.b.sZ)||this.slabByAtom&&(c||this.vwr.gdata.isClippedZ(this.b.sZ)))return!1}this.zA=this.a.sZ;this.zB=this.b.sZ;if(1==this.zA||1==this.zB)return!1;this.colixA=a.colixAtom;this.colixB=b.colixAtom;2==((this.colix=this.bond.colix)&-30721)?(this.colix&=30720,this.colixA=JU.C.getColixInherited(this.colix| +this.vwr.cm.getColixAtomPalette(a,J.c.PAL.CPK.id),this.colixA),this.colixB=JU.C.getColixInherited(this.colix|this.vwr.cm.getColixAtomPalette(b,J.c.PAL.CPK.id),this.colixB)):(this.colixA=JU.C.getColixInherited(this.colix,this.colixA),this.colixB=JU.C.getColixInherited(this.colix,this.colixB));a=!1;if(!this.isExport&&!this.isPass2&&(b=!JU.C.renderPass2(this.colixA),c=!JU.C.renderPass2(this.colixB),!b||!c)){if(!b&&!c&&!a)return this.g3d.setC(!b?this.colixA:this.colixB),!0;a=!0}this.bondOrder=d&-131073; +if(0==(this.bondOrder&224)&&(0!=(this.bondOrder&256)&&(this.bondOrder&=-257),0!=(this.bondOrder&1023)&&(!this.showMultipleBonds||2==this.modeMultipleBond&&500=this.width)&&this.isAntialiased)this.width=3,this.asLineOnly=!1;switch(b){case -2:this.drawBond(0);this.getMultipleBondSettings(!1);break;case -1:this.drawDashed(this.xA,this.yA,this.zA,this.xB,this.yB,this.zB,J.render.FontLineShapeRenderer.hDashes);break;default:switch(this.bondOrder){case 4:this.bondOrder=2;d=this.multipleBondRadiusFactor; +0==d&&1d&&(this.multipleBondSpacing=0.3);this.drawBond(b);this.bondsPerp=!this.bondsPerp;this.bondOrder=2;this.drawBond(b>>2);this.bondsPerp=!this.bondsPerp;this.multipleBondSpacing=d;break;case 5:this.bondOrder=3;d=this.multipleBondRadiusFactor;0==d&&1d&&(this.multipleBondSpacing=0.2);this.drawBond(b);this.bondsPerp=!this.bondsPerp;this.bondOrder=2;this.multipleBondSpacing*= +1.5;this.drawBond(b>>3);this.bondsPerp=!this.bondsPerp;this.multipleBondSpacing=d;break;case 6:this.bondOrder=4;d=this.multipleBondRadiusFactor;0==d&&1d&&(this.multipleBondSpacing=0.15);this.drawBond(b);this.bondsPerp=!this.bondsPerp;this.bondOrder=2;this.multipleBondSpacing*=1.5;this.drawBond(b>>4);this.bondsPerp=!this.bondsPerp;this.multipleBondSpacing=d;break;default:this.drawBond(b)}}return a});c(c$,"drawBond",function(a){var b= +0!=(a&1);if(this.isCartesian&&1==this.bondOrder&&!b)this.g3d.drawBond(this.a,this.b,this.colixA,this.colixB,this.endcaps,this.mad,-1);else{var d=0==this.dx&&0==this.dy;if(!d||!this.asLineOnly||this.isCartesian){var c=1>=1;b=0!=(a&1);if(0>=--this.bondOrder)break;this.p1.add(this.y);this.p2.add(this.y);this.stepAxisCoordinates()}}else if(this.mag2d=Math.round(Math.sqrt(this.dx*this.dx+this.dy*this.dy)),this.resetAxisCoordinates(),this.isCartesian&&3==this.bondOrder)this.fillCylinder(this.colixA,this.colixB,this.endcaps,this.width,this.xAxis1,this.yAxis1,this.zA,this.xAxis2,this.yAxis2,this.zB),this.stepAxisCoordinates(),this.x.sub2(this.b,this.a),this.x.scale(0.05),this.p1.sub2(this.a, +this.x),this.p2.add2(this.b,this.x),this.g3d.drawBond(this.p1,this.p2,this.colixA,this.colixB,this.endcaps,this.mad,-2),this.stepAxisCoordinates(),this.fillCylinder(this.colixA,this.colixB,this.endcaps,this.width,this.xAxis1,this.yAxis1,this.zA,this.xAxis2,this.yAxis2,this.zB);else for(;;){0!=(a&1)?this.drawDashed(this.xAxis1,this.yAxis1,this.zA,this.xAxis2,this.yAxis2,this.zB,this.dashDots):this.fillCylinder(this.colixA,this.colixB,this.endcaps,this.width,this.xAxis1,this.yAxis1,this.zA,this.xAxis2, +this.yAxis2,this.zB);a>>=1;if(0>=--this.bondOrder)break;this.stepAxisCoordinates()}}}},"~N");c(c$,"resetAxisCoordinates",function(){var a=this.mag2d>>3;-1!=this.multipleBondSpacing&&0>this.multipleBondSpacing&&(a*=-this.multipleBondSpacing);a=this.width+a;this.dxStep=y(a*this.dy/this.mag2d);this.dyStep=y(a*-this.dx/this.mag2d);this.xAxis1=this.xA;this.yAxis1=this.yA;this.xAxis2=this.xB;this.yAxis2=this.yB;a=this.bondOrder-1;this.xAxis1-=y(this.dxStep*a/2);this.yAxis1-=y(this.dyStep*a/2);this.xAxis2-= +y(this.dxStep*a/2);this.yAxis2-=y(this.dyStep*a/2)});c(c$,"stepAxisCoordinates",function(){this.xAxis1+=this.dxStep;this.yAxis1+=this.dyStep;this.xAxis2+=this.dxStep;this.yAxis2+=this.dyStep});c(c$,"getAromaticDottedBondMask",function(){var a=this.b.findAromaticNeighbor(this.a.i);return null==a?1:0>this.dx*(a.sY-this.yA)-this.dy*(a.sX-this.xA)?2:1});c(c$,"drawBanana",function(a,b,d,c){this.g3d.addRenderer(553648145);this.vectorT.sub2(b,a);null==this.rot&&(this.rot=new JU.M3,this.a4=new JU.A4);this.a4.setVA(this.vectorT, +3.141592653589793*c/180);this.rot.setAA(this.a4);this.pointT.setT(a);this.pointT3.setT(b);this.pointT2.ave(a,b);this.rot.rotate2(d,this.vectorT);this.pointT2.add(this.vectorT);this.tm.transformPtScrT3(a,this.pointT);this.tm.transformPtScrT3(this.pointT2,this.pointT2);this.tm.transformPtScrT3(b,this.pointT3);a=Math.max(this.width,1);this.g3d.setC(this.colixA);this.g3d.fillHermite(5,a,a,a,this.pointT,this.pointT,this.pointT2,this.pointT3);this.g3d.setC(this.colixB);this.g3d.fillHermite(5,a,a,a,this.pointT, +this.pointT2,this.pointT3,this.pointT3)},"JM.Atom,JM.Atom,JU.V3,~N")});s("JS");u(["JS.T"],"JS.ContextToken",["java.util.Hashtable","JS.SV"],function(){c$=t(function(){this.name0=this.forVars=this.contextVariables=null;n(this,arguments)},JS,"ContextToken",JS.T);c$.newContext=c(c$,"newContext",function(a){a=a?JS.ContextToken.newCmd(1275335685,"{"):JS.ContextToken.newCmd(1275334681,"}");a.intValue=0;return a},"~B");c$.newCmd=c(c$,"newCmd",function(a,b){var d=new JS.ContextToken;d.tok=a;d.value=b;return d}, +"~N,~O");c(c$,"addName",function(a){null==this.contextVariables&&(this.contextVariables=new java.util.Hashtable);this.contextVariables.put(a,JS.SV.newS("").setName(a))},"~S")});s("JS");u(null,"JS.ScriptContext",["java.util.Hashtable","JS.SV"],function(){c$=t(function(){this.aatoken=null;this.chk=this.allowJSThreads=!1;this.contextPath=" >> ";this.vars=null;this.displayLoadErrorsSave=!1;this.errorType=this.errorMessageUntranslated=this.errorMessage=null;this.executionStepping=this.executionPaused= +!1;this.functionName=null;this.iCommandError=-1;this.id=0;this.isComplete=!0;this.isTryCatch=this.isStateScript=this.isJSThread=this.isFunction=!1;this.forVars=null;this.iToken=0;this.lineEnd=2147483647;this.lineNumbers=this.lineIndices=null;this.mustResumeEval=!1;this.parentContext=this.parallelProcessor=this.outputBuffer=null;this.pc0=this.pc=0;this.pcEnd=2147483647;this.scriptFileName=this.scriptExtensions=this.script=null;this.scriptLevel=0;this.htFileCache=this.statement=null;this.statementLength= +0;this.token=null;this.tryPt=0;this.theToken=null;this.theTok=0;this.privateFuncs=this.why=this.pointers=null;n(this,arguments)},JS,"ScriptContext");r(c$,function(){this.id=++JS.ScriptContext.contextCount});c(c$,"setMustResume",function(){for(var a=this;null!=a;)a.mustResumeEval=!0,a.pc=a.pc0,a=a.parentContext});c(c$,"getVariable",function(a){for(var b=this;null!=b&&!b.isFunction;){if(null!=b.vars&&b.vars.containsKey(a))return b.vars.get(a);b=b.parentContext}return null},"~S");c(c$,"getFullMap",function(){var a= +new java.util.Hashtable,b=this;for(null!=this.contextPath&&a.put("_path",JS.SV.newS(this.contextPath));null!=b&&!b.isFunction;){if(null!=b.vars)for(var d,c=b.vars.keySet().iterator();c.hasNext()&&((d=c.next())||1);)if(!a.containsKey(d)){var f=b.vars.get(d);(2!=f.tok||2147483647!=f.intValue)&&a.put(d,f)}b=b.parentContext}return a});c(c$,"saveTokens",function(a){this.aatoken=a;if(null==a)this.pointers=null;else{this.pointers=z(a.length,0);for(var b=this.pointers.length;0<=--b;)this.pointers[b]=null== +a[b]?-1:a[b][0].intValue}},"~A");c(c$,"restoreTokens",function(){if(null!=this.pointers)for(var a=this.pointers.length;0<=--a;)null!=this.aatoken[a]&&(this.aatoken[a][0].intValue=this.pointers[a]);return this.aatoken});c(c$,"getTokenCount",function(){return null==this.aatoken?-1:this.aatoken.length});c(c$,"getToken",function(a){return this.aatoken[a]},"~N");F(c$,"contextCount",0)});s("JS");u(["java.lang.Exception"],"JS.ScriptException",null,function(){c$=t(function(){this.untranslated=this.message= +this.eval=null;this.isError=!1;n(this,arguments)},JS,"ScriptException",Exception);r(c$,function(a,b,d,c){this.eval=a;this.message=b;(this.isError=c)&&this.eval.setException(this,b,d)},"JS.ScriptError,~S,~S,~B");c(c$,"getErrorMessageUntranslated",function(){return this.untranslated});j(c$,"getMessage",function(){return this.message});j(c$,"toString",function(){return this.message})});s("JS");u(["javajs.api.JSONEncodable","JS.T","JU.P3"],"JS.SV","java.lang.Boolean $.Float java.util.Arrays $.Collections $.Hashtable $.Map JU.AU $.BArray $.BS $.Base64 $.Lst $.M3 $.M34 $.M4 $.Measure $.P4 $.PT $.Quat $.SB $.T3 $.V3 JM.BondSet JS.ScriptContext JU.BSUtil $.Escape JV.Viewer".split(" "), +function(){c$=t(function(){this.index=2147483647;this.myName=null;T("JS.SV.Sort")||JS.SV.$SV$Sort$();n(this,arguments)},JS,"SV",JS.T,javajs.api.JSONEncodable);c$.newV=c(c$,"newV",function(a,b){var d=new JS.SV;d.tok=a;d.value=b;return d},"~N,~O");c$.newI=c(c$,"newI",function(a){var b=new JS.SV;b.tok=2;b.intValue=a;return b},"~N");c$.newF=c(c$,"newF",function(a){var b=new JS.SV;b.tok=3;b.value=Float.$valueOf(a);return b},"~N");c$.newS=c(c$,"newS",function(a){return JS.SV.newV(4,a)},"~S");c$.newT=c(c$, "newT",function(a){return JS.SV.newSV(a.tok,a.intValue,a.value)},"JS.T");c$.newSV=c(c$,"newSV",function(a,b,d){a=JS.SV.newV(a,d);a.intValue=b;return a},"~N,~N,~O");c(c$,"setv",function(a){this.index=a.index;this.intValue=a.intValue;this.tok=a.tok;this.value=a.value;return this},"JS.SV");c$.sizeOf=c(c$,"sizeOf",function(a){switch(null==a?0:a.tok){case 10:return JS.SV.bsSelectToken(a).cardinality();case 1073742335:case 1073742334:return-1;case 2:return-2;case 3:return-4;case 8:return-8;case 9:return-16; -case 11:return-32;case 12:return-64;case 15:return a.value.data.length;case 4:return a.value.length;case 7:return 2147483647==a.intValue?a.getList().size():JS.SV.sizeOf(JS.SV.selectItemTok(a,-2147483648));case 6:return a.value.size();case 14:return a.value.getFullMap().size();default:return 0}},"JS.T");c$.isVariableType=c(c$,"isVariableType",function(a){return p(a,JS.SV)||p(a,Boolean)||p(a,Integer)||p(a,Float)||p(a,String)||p(a,JU.T3)||p(a,JU.BS)||p(a,JU.P4)||p(a,JU.Quat)||p(a,JU.M34)||p(a,java.util.Map)|| -p(a,JU.Lst)||p(a,JU.BArray)||p(a,JS.ScriptContext)||JS.SV.isArray(a)},"~O");c$.isArray=c(c$,"isArray",function(a){return p(a,Array)},"~O");c$.getVariable=c(c$,"getVariable",function(a){return null==a?JS.SV.newS(""):p(a,JS.SV)?a:p(a,Boolean)?JS.SV.getBoolean(a.booleanValue()):p(a,Integer)?JS.SV.newI(a.intValue()):p(a,Float)?JS.SV.newV(3,a):p(a,String)?(a=JS.SV.unescapePointOrBitsetAsVariable(a),p(a,JS.SV)?a:JS.SV.newV(4,a)):p(a,JU.P3)?JS.SV.newV(8,a):p(a,JU.V3)?JS.SV.newV(8,JU.P3.newP(a)):p(a,JU.BS)? -JS.SV.newV(10,a):p(a,JU.P4)?JS.SV.newV(9,a):p(a,JU.Quat)?JS.SV.newV(9,a.toPoint4f()):p(a,JU.M34)?JS.SV.newV(p(a,JU.M4)?12:11,a):p(a,java.util.Map)?JS.SV.getVariableMap(a):p(a,JU.Lst)?JS.SV.getVariableList(a):p(a,JU.BArray)?JS.SV.newV(15,a):p(a,JS.ScriptContext)?JS.SV.newV(14,a):JS.SV.isASV(a)?JS.SV.getVariableAV(a):JU.AU.isAI(a)?JS.SV.getVariableAI(a):JU.AU.isAB(a)?JS.SV.getVariableAB(a):JU.AU.isAF(a)?JS.SV.getVariableAF(a):JU.AU.isAD(a)?JS.SV.getVariableAD(a):JU.AU.isAS(a)?JS.SV.getVariableAS(a): 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2);0!=k&&-2147483648!=k&&this.setFormalCharge(k);this.userDefinedVanDerWaalRadius=c;this.setT(d);return this},"~N,~N,JU.P3,~N,JU.BS,~N,~N,~N,~B");c(c$,"setShapeVisibility",function(a,b){this.shapeVisibilityFlags=b?this.shapeVisibilityFlags|a:this.shapeVisibilityFlags&~a},"~N,~B");c(c$,"isCovalentlyBonded",function(a){if(null!=this.bonds)for(var b=this.bonds.length;0<=--b;)if(this.bonds[b].isCovalent()&&this.bonds[b].getOtherAtom(this)===a)return!0;return!1},"JM.Atom");c(c$,"isBonded",function(a){if(null!= this.bonds)for(var b=this.bonds.length;0<=--b;)if(this.bonds[b].getOtherAtom(this)===a)return!0;return!1},"JM.Atom");c(c$,"getBond",function(a){if(null!=this.bonds)for(var b=this.bonds.length;0<=--b;)if(null!=this.bonds[b].getOtherAtom(a))return this.bonds[b];return null},"JM.Atom");c(c$,"addDisplayedBond",function(a,b){this.nBondsDisplayed+=b?1:-1;this.setShapeVisibility(a,0a)return a;var b=this.getImplicitHydrogenCount();return a+b+this.group.chain.model.ms.aaRet[4]});j(c$,"getCovalentBondCountPlusMissingH",function(){return this.getCovalentBondCount()+this.getImplicitHydrogenCount()});c(c$,"getTargetValence",function(){switch(this.getElementNumber()){case 6:case 14:case 32:return 4;case 5:case 7:case 15:return 3; case 8:case 16:return 2;case 1:case 9:case 17:case 35:case 53:return 1}return-1});c(c$,"getDimensionValue",function(a){return 0==a?this.x:1==a?this.y:this.z},"~N");c(c$,"getVanderwaalsRadiusFloat",function(a,b){return Float.isNaN(this.userDefinedVanDerWaalRadius)?a.getVanderwaalsMarType(this.atomicAndIsotopeNumber,this.getVdwType(b))/1E3:this.userDefinedVanDerWaalRadius},"JV.Viewer,J.c.VDW");c(c$,"getVdwType",function(a){switch(a){case J.c.VDW.AUTO:a=this.group.chain.model.ms.getDefaultVdwType(this.mi); -break;case J.c.VDW.NOJMOL:a=this.group.chain.model.ms.getDefaultVdwType(this.mi),a===J.c.VDW.AUTO_JMOL&&(a=J.c.VDW.AUTO_BABEL)}return a},"J.c.VDW");c(c$,"getBondingRadius",function(){var a=this.group.chain.model.ms.bondingRadii,a=null==a?0:a[this.i];return 0==a?JU.Elements.getBondingRadius(this.atomicAndIsotopeNumber,this.getFormalCharge()):a});c(c$,"getVolume",function(a,b){var d=null==b?this.userDefinedVanDerWaalRadius:NaN;Float.isNaN(d)&&(d=a.getVanderwaalsMarType(this.getElementNumber(),this.getVdwType(b))/ -1E3);var c=0;if(null!=this.bonds)for(var f=0;fd+h)){if(e+d<=h)return 0;h=d-(d*d+e*e-h*h)/(2*e);c-=1.0471975511965976*h*h*(3*d-h)}}return c+4.1887902047863905*d*d*d},"JV.Viewer,J.c.VDW");c(c$,"getCurrentBondCount",function(){return null==this.bonds?0:this.bonds.length}); -c(c$,"getRadius",function(){return Math.abs(this.madAtom/2E3)});j(c$,"getIndex",function(){return this.i});j(c$,"getAtomSite",function(){return this.atomSite});j(c$,"getGroupBits",function(a){this.group.setAtomBits(a)},"JU.BS");j(c$,"getAtomName",function(){return 0d)return!1;var e=this.sY-b;d-=f+e*e;if(0>d)return!1;if(null==c)return!0;var f=this.sZ,e=c.sZ,h=y(c.sD/2);if(fa?360+a:a}return this.group.getGroupParameter(b);case 1665140738:case 1112152075:return this.getRadius();case 1111490571:return a.antialiased?y(this.sX/2):this.sX;case 1111490572:return a.getScreenHeight()-(a.antialiased?y(this.sY/2):this.sY);case 1111490573:return a.antialiased?y(this.sZ/2):this.sZ;case 1113589787:return a.slm.isAtomSelected(this.i)?1:0;case 1111490575:return a.ms.getSurfaceDistanceMax(),this.getSurfaceDistance100()/ -100;case 1111492620:return this.getBfactor100()/100;case 1111490577:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"X",d);case 1111490578:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"Y",d);case 1111490579:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"Z",d);case 1648363544:return this.getVanderwaalsRadiusFloat(a,J.c.VDW.AUTO);case 1648361473:return b=this.getVibrationVector(),null==b?0:b.length()*a.getFloat(1648361473);case 1111492626:return this.getVib("x");case 1111492627:return this.getVib("y"); -case 1111492628:return this.getVib("z");case 1111490583:return this.getVib("X");case 1111490584:return this.getVib("Y");case 1111490585:return this.getVib("Z");case 1111490586:return this.getVib("O");case 1111490580:return this.getVib("1");case 1111490581:return this.getVib("2");case 1111490582:return this.getVib("3");case 1312817669:return this.getVolume(a,J.c.VDW.AUTO);case 1145047051:case 1145047053:case 1145045006:case 1145047052:case 1145047055:case 1145045008:case 1145047050:return a=this.atomPropertyTuple(a, -b,d),null==a?-1:a.length()}return this.atomPropertyInt(b)},"JV.Viewer,~N,JU.P3");c(c$,"getVib",function(a){return this.group.chain.model.ms.getVibCoord(this.i,a)},"~S");c(c$,"getNominalMass",function(){var a=this.getIsotopeNumber();return 0>4;0==b&&(1>9;return JV.JC.getCIPRuleName(a+1)});j(c$,"setCIPChirality",function(a){this.formalChargeAndFlags=this.formalChargeAndFlags&-4081|a<<4},"~N");j(c$,"getCIPChiralityCode",function(){return(this.formalChargeAndFlags&496)>>4});j(c$,"getInsertionCode",function(){return this.group.getInsertionCode()});c(c$,"atomPropertyTuple",function(a,b,d){switch(b){case 1073742329:return JU.P3.newP(this);case 1145047051:return this.getFractionalCoordPt(!a.g.legacyJavaFloat,!1,d);case 1145047053:return this.getFractionalCoordPt(!a.g.legacyJavaFloat, -!1,d);case 1145045006:return this.group.chain.model.isJmolDataFrame?this.getFractionalCoordPt(!a.g.legacyJavaFloat,!1,d):this.getFractionalUnitCoordPt(!a.g.legacyJavaFloat,!1,d);case 1145047052:return JU.P3.new3(a.antialiased?y(this.sX/2):this.sX,a.getScreenHeight()-(a.antialiased?y(this.sY/2):this.sY),a.antialiased?y(this.sZ/2):this.sZ);case 1145047055:return this.getVibrationVector();case 1145045008:return a=this.getModulation(),null==a?null:a.getV3();case 1145047050:return this;case 1765808134:return JU.CU.colorPtFromInt(this.group.chain.model.ms.vwr.gdata.getColorArgbOrGray(this.colixAtom), -d)}return null},"JV.Viewer,~N,JU.P3");j(c$,"getOffsetResidueAtom",function(a,b){return this.group.getAtomIndex(a,b)},"~S,~N");j(c$,"isCrossLinked",function(a){return this.group.isCrossLinked(a.group)},"JU.Node");j(c$,"getCrossLinkVector",function(a,b,d){return this.group.getCrossLinkVector(a,b,d)},"JU.Lst,~B,~B");j(c$,"toString",function(){return this.getInfo()});j(c$,"findAtomsLike",function(a){return this.group.chain.model.ms.vwr.getAtomBitSet(a)},"~S");c(c$,"getUnitID",function(a){var b=this.group.chain.model; -return b.isBioModel?b.getUnitID(this,a):""},"~N");j(c$,"getFloatProperty",function(a){a=this.group.chain.model.ms.vwr.getDataObj(a,null,1);var b=NaN;if(null!=a)try{b=a[this.i]}catch(d){if(!E(d,Exception))throw d;}return b},"~S");j(c$,"modelIsRawPDB",function(){var a=this.group.chain.model;return a.isBioModel&&!a.isPdbWithMultipleBonds&&0==a.hydrogenCount});F(c$,"ATOM_INFRAME",1,"ATOM_VISSET",2,"ATOM_VISIBLE",4,"ATOM_NOTHIDDEN",8,"ATOM_NOFLAGS",-64,"ATOM_INFRAME_NOTHIDDEN",9,"ATOM_SHAPE_VIS_MASK", --10,"RADIUS_MAX",16,"RADIUS_GLOBAL",16.1,"MAD_GLOBAL",32200,"CHARGE_OFFSET",24,"FLAG_MASK",15,"VIBRATION_VECTOR_FLAG",1,"IS_HETERO_FLAG",2,"CIP_CHIRALITY_OFFSET",4,"CIP_CHIRALITY_MASK",496,"CIP_CHIRALITY_RULE_OFFSET",9,"CIP_CHIRALITY_RULE_MASK",3584,"CIP_MASK",4080)});u("JM");x(["JU.V3"],"JM.AtomCollection","java.lang.Float java.util.Arrays $.Hashtable JU.A4 $.AU $.BS $.Lst $.M3 $.Measure $.P3 $.PT J.api.Interface $.JmolModulationSet J.atomdata.RadiusData J.c.PAL $.VDW JM.Group JS.T JU.BSUtil $.Elements $.Escape $.Logger $.Parser $.Vibration".split(" "), -function(){c$=t(function(){this.at=this.bioModelset=this.g3d=this.vwr=null;this.ac=0;this.labeler=this.pointGroup=this.trajectory=null;this.maxVanderwaalsRadius=this.maxBondingRadius=1.4E-45;this.hasBfactorRange=!1;this.bfactor100Hi=this.bfactor100Lo=0;this.haveBSClickable=this.haveBSVisible=!1;this.bsSurface=null;this.surfaceDistanceMax=this.nSurfaceAtoms=0;this.haveChirality=!1;this.bspf=null;this.canSkipLoad=this.preserveState=!0;this.haveStraightness=!1;this.aaRet=this.bsPartialCharges=this.hydrophobicities= -this.bondingRadii=this.partialCharges=this.bfactor100s=this.occupancies=this.vibrations=this.dssrData=this.atomSeqIDs=this.atomResnos=this.atomSerials=this.atomTypes=this.atomNames=this.tainted=this.surfaceDistance100s=this.atomTensors=this.atomTensorList=this.bsModulated=this.bsClickable=this.bsVisible=this.bsHidden=null;U("JM.AtomCollection.AtomSorter")||JM.AtomCollection.$AtomCollection$AtomSorter$();this.atomCapacity=0;s(this,arguments)},JM,"AtomCollection");c(c$,"getAtom",function(a){return 0<= -a&&aa?null:this.at[a].group.getQuaternion(b)},"~N,~S"); -c(c$,"getFirstAtomIndexFromAtomNumber",function(a,b){for(var d=0;dthis.maxBondingRadius)this.maxBondingRadius=a;if((a=d.getVanderwaalsRadiusFloat(this.vwr,J.c.VDW.AUTO))>this.maxVanderwaalsRadius)this.maxVanderwaalsRadius=a}});c(c$, -"clearBfactorRange",function(){this.hasBfactorRange=!1});c(c$,"calcBfactorRange",function(a){if(!this.hasBfactorRange){this.bfactor100Lo=2147483647;this.bfactor100Hi=-2147483648;if(null==a)for(var b=0;bthis.bfactor100Hi&&(this.bfactor100Hi=a)},"~N");c(c$,"getBfactor100Lo",function(){this.hasBfactorRange|| -(this.vwr.g.rangeSelected?this.calcBfactorRange(this.vwr.bsA()):this.calcBfactorRange(null));return this.bfactor100Lo});c(c$,"getBfactor100Hi",function(){this.getBfactor100Lo();return this.bfactor100Hi});c(c$,"getSurfaceDistanceMax",function(){null==this.surfaceDistance100s&&this.calcSurfaceDistances();return this.surfaceDistanceMax});c(c$,"calculateVolume",function(a,b){var d=0;if(null!=a)for(var c=a.nextSetBit(0);0<=c;c=a.nextSetBit(c+1))d+=this.at[c].getVolume(this.vwr,b);return d},"JU.BS,J.c.VDW"); -c(c$,"getSurfaceDistance100",function(a){if(0==this.nSurfaceAtoms)return-1;null==this.surfaceDistance100s&&this.calcSurfaceDistances();return this.surfaceDistance100s[a]},"~N");c(c$,"calcSurfaceDistances",function(){this.calculateSurface(null,-1)});c(c$,"calculateSurface",function(a,b){0>b&&(b=3);var d=J.api.Interface.getOption("geodesic.EnvelopeCalculation",this.vwr,"ms").set(this.vwr,this.ac,null);d.calculate(new J.atomdata.RadiusData(null,b,J.atomdata.RadiusData.EnumType.ABSOLUTE,null),3.4028235E38, -a,JU.BSUtil.copyInvert(a,this.ac),!1,!1,!1,!0);var c=d.getPoints();this.surfaceDistanceMax=0;this.bsSurface=d.getBsSurfaceClone();this.surfaceDistance100s=A(this.ac,0);this.nSurfaceAtoms=JU.BSUtil.cardinalityOf(this.bsSurface);if(0==this.nSurfaceAtoms||null==c||0==c.length)return c;for(var d=3.4028235E38==b?0:b,f=0;fj&&JU.Logger.debugging&& -JU.Logger.debug("draw d"+k+" "+JU.Escape.eP(c[k])+' "'+j+" ? "+h.getInfo()+'"');e=Math.min(j,e)}j=this.surfaceDistance100s[f]=y(Math.floor(100*e));this.surfaceDistanceMax=Math.max(this.surfaceDistanceMax,j)}return c},"JU.BS,~N");c(c$,"setAtomCoord2",function(a,b,d){var c=null,f=null,e=null,h=0,k=1;if(p(d,JU.P3))c=d;else if(p(d,JU.Lst)){e=d;if(0==(k=e.size()))return;h=1}else if(JU.AU.isAP(d)){f=d;if(0==(k=f.length))return;h=2}else return;d=0;if(null!=a)for(var j=a.nextSetBit(0);0<=j;j=a.nextSetBit(j+ -1)){switch(h){case 1:if(d>=k)return;c=e.get(d++);break;case 2:if(d>=k)return;c=f[d++]}if(null!=c)switch(b){case 1145047050:this.setAtomCoord(j,c.x,c.y,c.z);break;case 1145047051:this.at[j].setFractionalCoordTo(c,!0);this.taintAtom(j,2);break;case 1145047053:this.at[j].setFractionalCoordTo(c,!1);this.taintAtom(j,2);break;case 1145047055:this.setAtomVibrationVector(j,c)}}},"JU.BS,~N,~O");c(c$,"setAtomVibrationVector",function(a,b){this.setVibrationVector(a,b);this.taintAtom(a,12)},"~N,JU.T3");c(c$, -"setAtomCoord",function(a,b,d,c){if(!(0>a||a>=this.ac)){var f=this.at[a];f.set(b,d,c);this.fixTrajectory(f);this.taintAtom(a,2)}},"~N,~N,~N,~N");c(c$,"fixTrajectory",function(a){this.isTrajectory(a.mi)&&this.trajectory.fixAtom(a)},"JM.Atom");c(c$,"setAtomCoordRelative",function(a,b,d,c){if(!(0>a||a>=this.ac)){var f=this.at[a];f.add3(b,d,c);this.fixTrajectory(f);this.taintAtom(a,2)}},"~N,~N,~N,~N");c(c$,"setAtomsCoordRelative",function(a,b,d,c){if(null!=a)for(var f=a.nextSetBit(0);0<=f;f=a.nextSetBit(f+ -1))this.setAtomCoordRelative(f,b,d,c)},"JU.BS,~N,~N,~N");c(c$,"setAPa",function(a,b,d,c,f,e,h){var k=0;if(!(null!=e&&0==e.length||null==a)){for(var j=null!=e&&e.length==this.ac||null!=h&&h.length==this.ac,r=a.nextSetBit(0);0<=r;r=a.nextSetBit(r+1)){j&&(k=r);if(null!=e){if(k>=e.length)return;c=e[k++];if(Float.isNaN(c))continue;d=B(c)}else if(null!=h){if(k>=h.length)return;f=h[k++]}var m=this.at[r];switch(b){case 1086326786:this.setAtomName(r,f,!0);break;case 1086326785:this.setAtomType(r,f);break; -case 1086326788:this.setChainID(r,f);break;case 1094715393:this.setAtomNumber(r,d,!0);break;case 1094713365:this.setAtomSeqID(r,d);break;case 1111492609:case 1111492629:this.setAtomCoord(r,c,m.y,m.z);break;case 1111492610:case 1111492630:this.setAtomCoord(r,m.x,c,m.z);break;case 1111492611:case 1111492631:this.setAtomCoord(r,m.x,m.y,c);break;case 1111492626:case 1111492627:case 1111492628:this.setVibrationVector2(r,b,c);break;case 1111492612:case 1111492613:case 1111492614:m.setFractionalCoord(b, -c,!0);this.taintAtom(r,2);break;case 1111492615:case 1111492616:case 1111492617:m.setFractionalCoord(b,c,!1);this.taintAtom(r,2);break;case 1094715402:case 1086326789:this.setElement(m,d,!0);break;case 1631586315:this.resetPartialCharges();m.setFormalCharge(d);this.taintAtom(r,4);break;case 1113589786:this.setHydrophobicity(r,c);break;case 1128269825:2>c&&0.01c?c=0:16=c&&(null==this.atomNames&&(this.atomNames=Array(this.at.length)),this.atomNames[a]=b);d&&this.taintAtom(a,0)}},"~N,~S,~B");c(c$,"setAtomType",function(a,b){b.equals(this.at[a].getAtomType())||(null==this.atomTypes&&(this.atomTypes=Array(this.at.length)),this.atomTypes[a]= -b)},"~N,~S");c(c$,"setChainID",function(a,b){if(!b.equals(this.at[a].getChainIDStr())){var d=this.at[a].getChainID(),d=this.getChainBits(d);this.at[a].group.chain.chainID=this.vwr.getChainID(b,!0);for(var c=d.nextSetBit(0);0<=c;c=d.nextSetBit(c+1))this.taintAtom(c,16)}},"~N,~S");c(c$,"setAtomNumber",function(a,b,d){d&&b==this.at[a].getAtomNumber()||(null==this.atomSerials&&(this.atomSerials=A(this.at.length,0)),this.atomSerials[a]=b,d&&this.taintAtom(a,13))},"~N,~N,~B");c(c$,"setElement",function(a, -b,d){d&&a.getElementNumber()==b||(a.setAtomicAndIsotopeNumber(b),a.paletteID=J.c.PAL.CPK.id,a.colixAtom=this.vwr.cm.getColixAtomPalette(a,J.c.PAL.CPK.id),this.resetPartialCharges(),d&&this.taintAtom(a.i,3))},"JM.Atom,~N,~B");c(c$,"resetPartialCharges",function(){this.bsPartialCharges=this.partialCharges=null});c(c$,"setAtomResno",function(a,b){b!=this.at[a].getResno()&&(this.at[a].group.setResno(b),null==this.atomResnos&&(this.atomResnos=A(this.at.length,0)),this.atomResnos[a]=b,this.taintAtom(a, -15))},"~N,~N");c(c$,"setAtomSeqID",function(a,b){b!=this.at[a].getSeqID()&&(null==this.atomSeqIDs&&(this.atomSeqIDs=A(this.at.length,0)),this.atomSeqIDs[a]=b,this.taintAtom(a,14))},"~N,~N");c(c$,"setOccupancy",function(a,b,d){if(!(d&&b==this.at[a].getOccupancy100())){if(null==this.occupancies){if(100==b)return;this.occupancies=I(this.at.length,0);for(var c=this.at.length;0<=--c;)this.occupancies[c]=100}this.occupancies[a]=b;d&&this.taintAtom(a,7)}},"~N,~N,~B");c(c$,"setPartialCharge",function(a,b, -d){if(!Float.isNaN(b)){if(null==this.partialCharges){this.bsPartialCharges=new JU.BS;if(0==b)return;this.partialCharges=I(this.at.length,0)}this.bsPartialCharges.set(a);this.partialCharges[a]=b;d&&this.taintAtom(a,8)}},"~N,~N,~B");c(c$,"setBondingRadius",function(a,b){Float.isNaN(b)||b==this.at[a].getBondingRadius()||(null==this.bondingRadii&&(this.bondingRadii=I(this.at.length,0)),this.bondingRadii[a]=b,this.taintAtom(a,6))},"~N,~N");c(c$,"setBFactor",function(a,b,d){if(!(Float.isNaN(b)||d&&b==this.at[a].getBfactor100())){if(null== -this.bfactor100s){if(0==b)return;this.bfactor100s=S(this.at.length,0)}this.bfactor100s[a]=ua(100*(-327.68>b?-327.68:327.67b?-0.5:0.5));d&&this.taintAtom(a,9)}},"~N,~N,~B");c(c$,"setHydrophobicity",function(a,b){if(!(Float.isNaN(b)||b==this.at[a].getHydrophobicity())){if(null==this.hydrophobicities){this.hydrophobicities=I(this.at.length,0);for(var d=0;dm||m>=this.ac)){var q=this.at[m];h++;var z=r.length-1,w=JU.PT.parseFloat(r[z]);switch(a){case 17:f[m]= -w;e.set(m);continue;case 0:this.setAtomName(m,r[z],!0);break;case 13:this.setAtomNumber(m,B(w),!0);break;case 15:this.setAtomResno(m,B(w));break;case 14:this.setAtomSeqID(m,B(w));break;case 1:this.setAtomType(m,r[z]);break;case 16:this.setChainID(m,r[z]);break;case 3:q.setAtomicAndIsotopeNumber(B(w));q.paletteID=J.c.PAL.CPK.id;q.colixAtom=this.vwr.cm.getColixAtomPalette(q,J.c.PAL.CPK.id);break;case 4:q.setFormalCharge(B(w));break;case 5:this.setHydrophobicity(m,w);break;case 6:this.setBondingRadius(m, -w);break;case 8:this.setPartialCharge(m,w,!0);break;case 9:this.setBFactor(m,w,!0);break;case 10:q.setValence(B(w));break;case 11:q.setRadius(w)}this.taintAtom(m,a)}}17==a&&0d;d++)if(JM.AtomCollection.userSettableValues[d].equalsIgnoreCase(a))return d;return b?17:-1},"~S");c(c$,"getTaintedAtoms",function(a){return null==this.tainted?null:this.tainted[a]}, -"~N");c(c$,"taintAtoms",function(a,b){this.canSkipLoad=!1;if(this.preserveState)for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))this.taintAtom(d,b)},"JU.BS,~N");c(c$,"taintAtom",function(a,b){this.preserveState&&(null==this.tainted&&(this.tainted=Array(17)),null==this.tainted[b]&&(this.tainted[b]=JU.BS.newN(this.ac)),this.tainted[b].set(a));2==b&&this.taintModelCoord(a)},"~N,~N");c(c$,"taintModelCoord",function(a){a=this.am[this.at[a].mi];this.validateBspfForModel(a.trajectoryBaseIndex,!1);a.isBioModel&& -a.resetDSSR(!0);this.pointGroup=null},"~N");c(c$,"untaint",function(a,b){this.preserveState&&(null==this.tainted||null==this.tainted[b]||this.tainted[b].clear(a))},"~N,~N");c(c$,"setTaintedAtoms",function(a,b){if(this.preserveState){if(null==a){if(null==this.tainted)return;this.tainted[b]=null;return}null==this.tainted&&(this.tainted=Array(17));null==this.tainted[b]&&(this.tainted[b]=JU.BS.newN(this.ac));JU.BSUtil.copy2(a,this.tainted[b])}if(2==b){var d=a.nextSetBit(0);0<=d&&this.taintModelCoord(d)}}, -"JU.BS,~N");c(c$,"unTaintAtoms",function(a,b){if(!(null==this.tainted||null==this.tainted[b])){for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))this.tainted[b].clear(d);0>this.tainted[b].nextSetBit(0)&&(this.tainted[b]=null)}},"JU.BS,~N");c(c$,"findNearest2",function(a,b,d,c,f){for(var e=null,h=this.ac;0<=--h;)if(!(null!=c&&c.get(h))){var k=this.at[h];k.isClickable()&&this.isCursorOnTopOf(k,a,b,f,e)&&(e=k)}d[0]=e},"~N,~N,~A,JU.BS,~N");c(c$,"isCursorOnTopOf",function(a,b,d,c,f){return 1=w?1.1:10>=w?1:1.3;switch(w){case 7:case 8:p=1}if(!(d&&0d)return 0;var c=a.getFormalCharge(),f=a.getValence(),e=this.am[a.mi],e=e.isBioModel&&!e.isPdbWithMultipleBonds?a.group.getGroup3():null;null==this.aaRet&&(this.aaRet=A(5,0));this.aaRet[0]=d;this.aaRet[1]=c;this.aaRet[2]=0;this.aaRet[3]=a.getCovalentBondCount();this.aaRet[4]=null==e?0:f;null!=e&&0==c&&this.bioModelset.getAminoAcidValenceAndCharge(e,a.getAtomName(),this.aaRet)&&(d=this.aaRet[0],c=this.aaRet[1]);0!=c&&(d+=4==d?-Math.abs(c):c,this.aaRet[0]= -d);d-=f;return 0>d&&!b?0:d},"JM.Atom,~B");c(c$,"fixFormalCharges",function(a){for(var b=0,d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1)){var c=this.at[d],f=this.getMissingHydrogenCount(c,!0);if(0!=f){var e=c.getFormalCharge(),f=e-f;c.setFormalCharge(f);this.taintAtom(d,4);JU.Logger.debugging&&JU.Logger.debug("atom "+c+" formal charge "+e+" -> "+f);b++}}return b},"JU.BS");c(c$,"getHybridizationAndAxes",function(a,b,d,c,f,e,h){var k=0m||6c.angle(q[1])?a.cross(c,q[1]):a.cross(c,q[2]);a.normalize();var w=new JU.V3;2.984513>q[1].angle(q[2])?w.cross(q[1],q[2]):w.cross(c,q[2]);w.normalize();p=0.95<=Math.abs(w.dot(a))}var n=0==k.indexOf("sp3"), -s=!n&&0==k.indexOf("sp2"),t=!n&&!s&&0==k.indexOf("sp"),u=0==k.indexOf("p"),v=0==k.indexOf("lp"),w=null;if(e){if(0==r)return null;if(n){if(3d.length()){if(0<=k.indexOf("2")||0<=k.indexOf("3"))return null; -w="sp";break}w=n?"sp3":"sp2";if(0==k.indexOf("sp"))break;if(v){w="lp";break}w=k;break;default:if(p)w="sp2";else{if(v&&3==r){w="lp";break}w="sp3"}}if(null==w)return null;if(0==k.indexOf("p")){if("sp3"===w)return null}else if(0>k.indexOf(w))return null}if(md.length()){if(!k.equals("pz")){b=j[0];(f=3==b.getCovalentBondCount())||(f=3==(b=j[1]).getCovalentBondCount());if(f){this.getHybridizationAndAxes(b.i,0,c,d,"pz", -!1,h);k.equals("px")&&c.scale(-1);d.setT(q[0]);break}a.setT(JM.AtomCollection.vRef);d.cross(a,c);a.cross(d,c)}d.setT(c);c.cross(a,d);break}a.cross(d,c);if(s){c.cross(d,a);break}if(n||v){a.normalize();d.normalize();k.equals("lp")||(0==m||2==m?d.scaleAdd2(-1.2,a,d):d.scaleAdd2(1.2,a,d));c.cross(d,a);break}c.cross(d,a);d.setT(a);0>d.z&&(d.scale(-1),c.scale(-1));break;default:if(n)break;if(!p){c.cross(d,c);break}d.setT(a);0>d.z&&h&&(d.scale(-1),c.scale(-1))}c.normalize();d.normalize();return w},"~N,~N,JU.V3,JU.V3,~S,~B,~B"); -c(c$,"getHybridizationAndAxesD",function(a,b,d,c){c.startsWith("sp3d2")&&(c="d2sp3"+(5==c.length?"a":c.substring(5)));c.startsWith("sp3d")&&(c="dsp3"+(4==c.length?"a":c.substring(4)));if(c.equals("d2sp3")||c.equals("dsp3"))c+="a";var f=c.startsWith("dsp3"),e=c.charCodeAt(c.length-1)-97;if(null!=b&&(!f&&(5h&&null!=b)return null;for(var k=e>=h,j=y(h*(h-1)/2), -r=JU.AU.newInt2(j),m=A(3,0),j=A(3,j,0),q=0,p=0,w=0;ws?0:150<=s?2:1;j[s][m[s]]=q;m[s]++;r[q++]=A(-1,[w,n]);0==w&&1==s&&p++}q=100*m[0]+10*m[1]+m[2];if(null==b)switch(q){default:return"";case 0:return"";case 1:return"linear";case 100:case 10:return"bent";case 111:case 201:return"T-shaped";case 30:case 120:case 210:case 300:return 162b)return null;b=Array(c);if(0c)d.set(a);else if(8==(f=this.at[a]).getElementNumber()&&2==f.getCovalentBondCount()){for(var c=f.bonds,h=0,k=c.length;0<=--k&&3>h;)if(c[k].isCovalent()&&1==(e=c[k].getOtherAtom(f)).getElementNumber())b[h++%2]=e.i;2==h&&(d.set(b[1]),d.set(b[0]),d.set(a))}return d;case 1073742355:for(a=this.ac;0<=--a;)this.isAltLoc(this.at[a].altloc,b)&&d.set(a);return d;case 1073742356:f=b.toUpperCase();0<=f.indexOf("\\?")&&(f=JU.PT.rep(f,"\\?","\u0001")); -(e=f.startsWith("?*"))&&(f=f.substring(1));for(a=this.ac;0<=--a;)this.isAtomNameMatch(this.at[a],f,e,e)&&d.set(a);return d;case 1073742357:return JU.BSUtil.copy(this.getChainBits(c));case 1073742360:return this.getSpecName(b);case 1073742361:for(a=this.ac;0<=--a;)this.at[a].group.groupID==c&&d.set(a);return d;case 1073742362:return JU.BSUtil.copy(this.getSeqcodeBits(c,!0));case 5:for(a=this.ac;0<=--a;)this.at[a].group.getInsCode()==c&&d.set(a);return d;case 1296041986:for(a=this.ac;0<=--a;)this.at[a].getSymOp()== -c&&d.set(a);return d}e=b.nextSetBit(0);if(0>e)return d;switch(a){case 1094717454:f=JU.BSUtil.copy(b);for(a=e;0<=a;a=f.nextSetBit(a+1))d.or(this.am[this.at[a].mi].bsAtoms),f.andNot(d);return d;case 1086326788:f=JU.BSUtil.copy(b);for(a=e;0<=a;a=f.nextSetBit(a+1))this.at[a].group.chain.setAtomBits(d),f.andNot(d);return d;case 1086326789:f=new JU.BS;for(a=e;0<=a;a=b.nextSetBit(a+1))f.set(this.at[a].getElementNumber());for(a=this.ac;0<=--a;)f.get(this.at[a].getElementNumber())&&d.set(a);return d;case 1086324742:f= -JU.BSUtil.copy(b);for(a=e;0<=a;a=f.nextSetBit(a+1))this.at[a].group.setAtomBits(d),f.andNot(d);return d;case 1094713366:f=new JU.BS;for(a=e;0<=a;a=b.nextSetBit(a+1))f.set(this.at[a].atomSite);for(a=this.ac;0<=--a;)f.get(this.at[a].atomSite)&&d.set(a);return d}JU.Logger.error("MISSING getAtomBits entry for "+JS.T.nameOf(a));return d},"~N,~O,JU.BS");c(c$,"getChainBits",function(a){var b=this.vwr.getBoolean(603979822);0<=a&&(300>a&&!b)&&(a=this.chainToUpper(a));for(var d=new JU.BS,c=JU.BS.newN(this.ac), -f,e=c.nextClearBit(0);ef&&a==this.chainToUpper(f)?(h.setAtomBits(d),c.or(d)):h.setAtomBits(c)}return d},"~N");c(c$,"chainToUpper",function(a){return 97<=a&&122>=a?a-32:256<=a&&300>a?a-191:a},"~N");c(c$,"isAltLoc",function(a,b){if(null==b)return"\x00"==a;if(1!=b.length)return!1;var d=b.charAt(0);return"*"==d||"?"==d&&"\x00"!=a||a==d},"~S,~S");c(c$,"getSeqcodeBits",function(a,b){var d=new JU.BS,c=JM.Group.getSeqNumberFor(a), -f=2147483647!=c,e=!0,h=JM.Group.getInsertionCodeChar(a);switch(h){case "?":for(var k=this.ac;0<=--k;){var j=this.at[k].group.seqcode;if((!f||c==JM.Group.getSeqNumberFor(j))&&0!=JM.Group.getInsertionCodeFor(j))d.set(k),e=!1}break;default:for(k=this.ac;0<=--k;)if(j=this.at[k].group.seqcode,a==j||!f&&a==JM.Group.getInsertionCodeFor(j)||"*"==h&&c==JM.Group.getSeqNumberFor(j))d.set(k),e=!1}return!e||b?d:null},"~N,~B");c(c$,"getIdentifierOrNull",function(a){var b=this.getSpecNameOrNull(a,!1);0<=a.indexOf("\\?")&& -(a=JU.PT.rep(a,"\\?","\u0001"));return null!=b||0a&&0.1>=e&&e>=a||0==a&&0.01>Math.abs(e))&&d.set(f.i)}return d},"~N,JU.P4");c(c$,"clearVisibleSets",function(){this.haveBSClickable=this.haveBSVisible=!1});c(c$,"getAtomsInFrame",function(a){this.clearVisibleSets();a.clearAll();for(var b=this.ac;0<=--b;)this.at[b].isVisible(1)&& -a.set(b)},"JU.BS");c(c$,"getVisibleSet",function(a){if(a)this.vwr.setModelVisibility(),this.vwr.shm.finalizeAtoms(null,!0);else if(this.haveBSVisible)return this.bsVisible;this.bsVisible.clearAll();for(a=this.ac;0<=--a;)this.at[a].checkVisible()&&this.bsVisible.set(a);null!=this.vwr.shm.bsSlabbedInternal&&this.bsVisible.andNot(this.vwr.shm.bsSlabbedInternal);this.haveBSVisible=!0;return this.bsVisible},"~B");c(c$,"getClickableSet",function(a){if(a)this.vwr.setModelVisibility();else if(this.haveBSClickable)return this.bsClickable; -this.bsClickable.clearAll();for(a=this.ac;0<=--a;)this.at[a].isClickable()&&this.bsClickable.set(a);this.haveBSClickable=!0;return this.bsClickable},"~B");c(c$,"isModulated",function(a){return null!=this.bsModulated&&this.bsModulated.get(a)},"~N");c(c$,"deleteModelAtoms",function(a,b,d){this.at=JU.AU.deleteElements(this.at,a,b);this.ac=this.at.length;for(var c=a;ca;a++)JU.BSUtil.deleteBits(this.tainted[a],d)},"~N,~N,JU.BS");c(c$,"getAtomIdentityInfo",function(a,b,d){b.put("_ipt",Integer.$valueOf(a));b.put("atomIndex",Integer.$valueOf(a));b.put("atomno",Integer.$valueOf(this.at[a].getAtomNumber()));b.put("info",this.getAtomInfo(a,null,d)); -b.put("sym",this.at[a].getElementSymbol())},"~N,java.util.Map,JU.P3");c(c$,"getAtomTensorList",function(a){return 0>a||null==this.atomTensorList||a>=this.atomTensorList.length?null:this.atomTensorList[a]},"~N");c(c$,"deleteAtomTensors",function(a){if(null!=this.atomTensors){for(var b=new JU.Lst,d,c=this.atomTensors.keySet().iterator();c.hasNext()&&((d=c.next())||1);){for(var f=this.atomTensors.get(d),e=f.size();0<=--e;){var h=f.get(e);(a.get(h.atomIndex1)||0<=h.atomIndex2&&a.get(h.atomIndex2))&&f.removeItemAt(e)}0== -f.size()&&b.addLast(d)}for(e=b.size();0<=--e;)this.atomTensors.remove(b.get(e))}},"JU.BS");c(c$,"setCapacity",function(a){this.atomCapacity+=a},"~N");c(c$,"setAtomTensors",function(a,b){if(!(null==b||0==b.size())){null==this.atomTensors&&(this.atomTensors=new java.util.Hashtable);null==this.atomTensorList&&(this.atomTensorList=Array(this.at.length));this.atomTensorList=JU.AU.ensureLength(this.atomTensorList,this.at.length);this.atomTensorList[a]=JM.AtomCollection.getTensorList(b);for(var d=b.size();0<= ---d;){var c=b.get(d);c.atomIndex1=a;c.atomIndex2=-1;c.modelIndex=this.at[a].mi;this.addTensor(c,c.type);null!=c.altType&&this.addTensor(c,c.altType)}}},"~N,JU.Lst");c(c$,"addTensor",function(a,b){b=b.toLowerCase();var d=this.atomTensors.get(b);null==d&&(this.atomTensors.put(b,d=new JU.Lst),d.ensureCapacity(this.atomCapacity));d.addLast(a)},"JU.Tensor,~S");c$.getTensorList=c(c$,"getTensorList",function(a){for(var b=-1,d=!1,c=a.size(),f=c;0<=--f;){var e=a.get(f);e.forThermalEllipsoid?b=f:2==e.iType&& -(d=!0)}var h=Array((0<=b||!d?0:1)+c);if(0<=b&&(h[0]=a.get(b),1==a.size()))return h;if(d){b=0;for(f=c;0<=--f;)e=a.get(f),e.forThermalEllipsoid||(h[++b]=e)}else for(f=0;fa||a>=this.ac?null:this.at[a].getUnitCell(),c=null!=b&&Float.isNaN(b.x);return null==d?new JU.Lst: -d.generateCrystalClass(c?null:null!=b?b:this.at[a])},"~N,JU.P3");c$.$AtomCollection$AtomSorter$=function(){L(self.c$);c$=t(function(){V(this,arguments);s(this,arguments)},JM.AtomCollection,"AtomSorter",null,java.util.Comparator);j(c$,"compare",function(a,b){return a.i>b.i?1:a.ie?-1:c;if(this.isVdw=null!=h)this.radiusData=h,this.atoms=a.at,this.vwr=a.vwr,e=h.factorType===J.atomdata.RadiusData.EnumType.OFFSET?5+h.value:5*h.value,this.vdw1=this.atoms[c].getVanderwaalsRadiusFloat(this.vwr, -h.vdwType);this.checkGreater=this.isGreaterOnly&&2147483647!=c;this.setCenter(f,e)}},"JM.ModelSet,~N,~N,~N,JU.T3,~N,J.atomdata.RadiusData");j(c$,"setCenter",function(a,b){this.setCenter2(a,b)},"JU.T3,~N");c(c$,"setCenter2",function(a,b){null!=this.cubeIterator&&(this.cubeIterator.initialize(a,b,this.hemisphereOnly),this.distanceSquared=b*b)},"JU.T3,~N");j(c$,"hasNext",function(){return this.hasNext2()});c(c$,"hasNext2",function(){if(0<=this.atomIndex)for(;this.cubeIterator.hasMoreElements();){var a= -this.cubeIterator.nextElement();if((this.iNext=a.i)!=this.atomIndex&&(!this.checkGreater||this.iNext>this.atomIndex)&&(null==this.bsSelected||this.bsSelected.get(this.iNext)))return!0}else if(this.cubeIterator.hasMoreElements())return a=this.cubeIterator.nextElement(),this.iNext=a.i,!0;this.iNext=-1;return!1});j(c$,"next",function(){return this.iNext-this.zeroBase});j(c$,"foundDistance2",function(){return null==this.cubeIterator?-1:this.cubeIterator.foundDistance2()});j(c$,"addAtoms",function(a){for(var b;this.hasNext();)if(0<= -(b=this.next())){var d;if(this.isVdw){d=this.atoms[b].getVanderwaalsRadiusFloat(this.vwr,this.radiusData.vdwType)+this.vdw1;switch(this.radiusData.factorType){case J.atomdata.RadiusData.EnumType.OFFSET:d+=2*this.radiusData.value;break;case J.atomdata.RadiusData.EnumType.FACTOR:d*=this.radiusData.value}d*=d}else d=this.distanceSquared;this.foundDistance2()<=d&&a.set(b)}},"JU.BS");j(c$,"release",function(){null!=this.cubeIterator&&(this.cubeIterator.release(),this.cubeIterator=null)});j(c$,"getPosition", -function(){return null})});u("JM");x(["JM.AtomIteratorWithinModel"],"JM.AtomIteratorWithinModelSet",null,function(){c$=t(function(){this.center=this.bsModels=null;this.distance=0;s(this,arguments)},JM,"AtomIteratorWithinModelSet",JM.AtomIteratorWithinModel);n(c$,function(a){H(this,JM.AtomIteratorWithinModelSet,[]);this.bsModels=a},"JU.BS");j(c$,"setCenter",function(a,b){this.center=a;this.distance=b;this.set(0)},"JU.T3,~N");c(c$,"set",function(a){if(0>(this.modelIndex=this.bsModels.nextSetBit(a))|| -null==(this.cubeIterator=this.bspf.getCubeIterator(this.modelIndex)))return!1;this.setCenter2(this.center,this.distance);return!0},"~N");j(c$,"hasNext",function(){return this.hasNext2()?!0:!this.set(this.modelIndex+1)?!1:this.hasNext()})});u("JM");x(["JU.Edge","JV.JC"],"JM.Bond",["JU.C"],function(){c$=t(function(){this.atom2=this.atom1=null;this.shapeVisibilityFlags=this.colix=this.mad=0;s(this,arguments)},JM,"Bond",JU.Edge);n(c$,function(a,b,d,c,f){this.atom1=a;this.atom2=b;this.colix=f;this.setOrder(d); -this.setMad(c)},"JM.Atom,JM.Atom,~N,~N,~N");c(c$,"setMad",function(a){this.mad=a;this.setShapeVisibility(0!=a)},"~N");c(c$,"setShapeVisibility",function(a){0!=(this.shapeVisibilityFlags&JM.Bond.myVisibilityFlag)!=a&&(this.atom1.addDisplayedBond(JM.Bond.myVisibilityFlag,a),this.atom2.addDisplayedBond(JM.Bond.myVisibilityFlag,a),this.shapeVisibilityFlags=a?this.shapeVisibilityFlags|JM.Bond.myVisibilityFlag:this.shapeVisibilityFlags&~JM.Bond.myVisibilityFlag)},"~B");c(c$,"getIdentity",function(){return this.index+ -1+" "+JU.Edge.getBondOrderNumberFromOrder(this.order)+" "+this.atom1.getInfo()+" -- "+this.atom2.getInfo()+" "+this.atom1.distance(this.atom2)});j(c$,"isCovalent",function(){return 0!=(this.order&1023)});j(c$,"isHydrogen",function(){return JU.Edge.isOrderH(this.order)});c(c$,"isStereo",function(){return 0!=(this.order&1024)});c(c$,"isPartial",function(){return 0!=(this.order&224)});c(c$,"isAromatic",function(){return 0!=(this.order&512)});c(c$,"getEnergy",function(){return 0});c(c$,"getValence",function(){return!this.isCovalent()? -0:this.isPartial()||this.is(515)?1:this.order&7});c(c$,"deleteAtomReferences",function(){null!=this.atom1&&this.atom1.deleteBond(this);null!=this.atom2&&this.atom2.deleteBond(this);this.atom1=this.atom2=null});c(c$,"setTranslucent",function(a,b){this.colix=JU.C.getColixTranslucent3(this.colix,a,b)},"~B,~N");c(c$,"setOrder",function(a){16==this.atom1.getElementNumber()&&16==this.atom2.getElementNumber()&&(a|=256);512==a&&(a=515);this.order=a|this.order&131072},"~N");j(c$,"getAtomIndex1",function(){return this.atom1.i}); -j(c$,"getAtomIndex2",function(){return this.atom2.i});j(c$,"getCovalentOrder",function(){return JU.Edge.getCovalentBondOrder(this.order)});c(c$,"getOtherAtom",function(a){return this.atom1===a?this.atom2:this.atom2===a?this.atom1:null},"JM.Atom");c(c$,"is",function(a){return(this.order&-131073)==a},"~N");j(c$,"getOtherNode",function(a){return this.atom1===a?this.atom2:this.atom2===a||null==a?this.atom1:null},"JU.SimpleNode");c(c$,"setAtropisomerOptions",function(a,b){var d=b.get(this.atom1.i),c=d? -b:a,d=d?a:b,f,e=2147483647,h=this.atom1.bonds;for(f=0;f=h.length||2d&&0c&&200>this.numCached[c]&&(this.freeBonds[c][this.numCached[c]++]=b)}return d},"JM.Bond,~A");c(c$,"addHBond",function(a,b,d,c){this.bondCount== -this.bo.length&&(this.bo=JU.AU.arrayCopyObject(this.bo,this.bondCount+250));return this.setBond(this.bondCount++,this.bondMutually(a,b,d,1,c)).index},"JM.Atom,JM.Atom,~N,~N");c(c$,"deleteAllBonds2",function(){this.vwr.setShapeProperty(1,"reset",null);for(var a=this.bondCount;0<=--a;)this.bo[a].deleteAtomReferences(),this.bo[a]=null;this.bondCount=0});c(c$,"getDefaultMadFromOrder",function(a){return JU.Edge.isOrderH(a)?1:32768==a?y(Math.floor(2E3*this.vwr.getFloat(570425406))):this.defaultCovalentMad}, -"~N");c(c$,"deleteConnections",function(a,b,d,c,f,e,h){var k=0>a,j=0>b,r=k||j;a=this.fixD(a,k);b=this.fixD(b,j);var m=new JU.BS,q=0,p=d|=131072;!h&&JU.Edge.isOrderH(d)&&(d=30720);if(e)e=c;else{e=new JU.BS;for(var w=c.nextSetBit(0);0<=w;w=c.nextSetBit(w+1)){var n=this.at[w];if(null!=n.bonds)for(var s=n.bonds.length;0<=--s;)f.get(n.getBondedAtomIndex(s))&&e.set(n.bonds[s].index)}}for(w=e.nextSetBit(0);w=a*d:k>=d)&&(e?h<=a*c:k<=c)):k>=d&&k<=c},"JM.Atom,JM.Atom,~N,~N,~B,~B,~B");c(c$,"dBm",function(a,b){this.deleteBonds(a,b)},"JU.BS,~B");c(c$,"dBb",function(a,b){var d=a.nextSetBit(0); -if(!(0>d)){this.resetMolecules();for(var c=-1,f=a.cardinality(),e=d;e=d;)this.bo[c]=null;this.bondCount=d;d=this.vwr.getShapeProperty(1,"sets");if(null!=d)for(c=0;c=a.atom1.getCovalentBondCount()&&3>=a.atom2.getCovalentBondCount(); -default:return!1}},"JM.Bond");c(c$,"assignAromaticMustBeSingle",function(a){var b=a.getElementNumber();switch(b){case 6:case 7:case 8:case 16:break;default:return!0}var d=a.getValence();switch(b){case 6:return 4==d;case 7:return a.group.getNitrogenAtom()===a||3==d&&1>a.getFormalCharge();case 8:return a.group.getCarbonylOxygenAtom()!==a&&2==d&&1>a.getFormalCharge();case 16:return 5==a.group.groupID||2==d&&1>a.getFormalCharge()}return!1},"JM.Atom");c(c$,"assignAromaticNandO",function(a){for(var b,d= -null==a,c=d?this.bondCount-1:a.nextSetBit(0);0<=c;c=d?c-1:a.nextSetBit(c+1))if(b=this.bo[c],b.is(513)){var f,e=b.atom2,h,k=e.getElementNumber();7==k||8==k?(h=k,f=e,e=b.atom1,k=e.getElementNumber()):(f=b.atom1,h=f.getElementNumber());if(!(7!=h&&8!=h)){var j=f.getValence();if(!(0>j)){var r=f.getCovalentBondCount();f=f.getFormalCharge();switch(h){case 7:3==j&&(3==r&&1>f&&6==k&&3==e.getValence())&&b.setOrder(514);break;case 8:1==j&&(0==f&&(14==k||16==k))&&b.setOrder(514)}}}}},"JU.BS");c(c$,"getAtomBitsMDb", -function(a,b){var d=new JU.BS;switch(a){default:return this.getAtomBitsMDa(a,b,d);case 1677721602:for(var c=b.nextSetBit(0);0<=c;c=b.nextSetBit(c+1))d.set(this.bo[c].atom1.i),d.set(this.bo[c].atom2.i);return d;case 1073742331:for(c=this.bondCount;0<=--c;)this.bo[c].isAromatic()&&(d.set(this.bo[c].atom1.i),d.set(this.bo[c].atom2.i));return d}},"~N,~O");c(c$,"assignBond",function(a,b){var d=b.charCodeAt(0)-48,c=this.bo[a];this.clearDB(c.atom1.i);switch(b){case "0":case "1":case "2":case "3":break;case "p":case "m":d= -JU.Edge.getBondOrderNumberFromOrder(c.getCovalentOrder()).charCodeAt(0)-48+("p"==b?1:-1);3d&&(d=3);break;default:return null}var f=new JU.BS;try{if(0==d){var e=new JU.BS;e.set(c.index);f.set(c.atom1.i);f.set(c.atom2.i);this.dBm(e,!1);return f}c.setOrder(d|131072);1!=c.atom1.getElementNumber()&&1!=c.atom2.getElementNumber()&&(this.removeUnnecessaryBonds(c.atom1,!1),this.removeUnnecessaryBonds(c.atom2,!1));f.set(c.atom1.i);f.set(c.atom2.i)}catch(h){if(E(h,Exception))JU.Logger.error("Exception in seBondOrder: "+ -h.toString());else throw h;}return f},"~N,~S");c(c$,"removeUnnecessaryBonds",function(a,b){var d=new JU.BS,c=new JU.BS,f=a.bonds;if(null!=f){for(var e=0;eb?e.clear(k):d&&0==c&&e.set(k);return e}, -"~N,~N,~N,JU.BS");F(c$,"BOND_GROWTH_INCREMENT",250,"MAX_BONDS_LENGTH_TO_CACHE",5,"MAX_NUM_TO_CACHE",200)});u("JM");N(JM,"BondIterator");u("JM");x(["JM.BondIterator"],"JM.BondIteratorSelected",null,function(){c$=t(function(){this.bonds=null;this.iBond=this.bondType=this.bondCount=0;this.bsSelected=null;this.bondSelectionModeOr=!1;s(this,arguments)},JM,"BondIteratorSelected",null,JM.BondIterator);n(c$,function(a,b,d,c,f){this.bonds=a;this.bondCount=b;this.bondType=d;this.bsSelected=c;this.bondSelectionModeOr= -f},"~A,~N,~N,JU.BS,~B");j(c$,"hasNext",function(){if(131071==this.bondType)return this.iBond=this.bsSelected.nextSetBit(this.iBond),0<=this.iBond&&this.iBondthis.chainID?""+String.fromCharCode(this.chainID):this.model.ms.vwr.getChainIDStr(this.chainID)});c(c$,"calcSelectedGroupsCount",function(a){for(var b=this.selectedGroupCount=0;b=a.length?0:a[this.i];return 0==a?JU.Elements.getBondingRadius(this.atomicAndIsotopeNumber,this.getFormalCharge()):a});c(c$,"getVolume",function(a,b){var d=null==b?this.userDefinedVanDerWaalRadius:NaN;Float.isNaN(d)&&(d=a.getVanderwaalsMarType(this.getElementNumber(), +this.getVdwType(b))/1E3);var c=0;if(null!=this.bonds)for(var f=0;fd+h)){if(e+d<=h)return 0;h=d-(d*d+e*e-h*h)/(2*e);c-=1.0471975511965976*h*h*(3*d-h)}}return c+4.1887902047863905*d*d*d},"JV.Viewer,J.c.VDW");c(c$,"getCurrentBondCount",function(){return null== +this.bonds?0:this.bonds.length});c(c$,"getRadius",function(){return Math.abs(this.madAtom/2E3)});j(c$,"getIndex",function(){return this.i});j(c$,"getAtomSite",function(){return this.atomSite});j(c$,"getGroupBits",function(a){this.group.setAtomBits(a)},"JU.BS");j(c$,"getAtomName",function(){return 0d)return!1;var e=this.sY-b;d-=f+e*e;if(0>d)return!1;if(null==c)return!0;var f=this.sZ,e=c.sZ,h=y(c.sD/2);if(fa?360+a:a}return this.group.getGroupParameter(b);case 1665140738:case 1112152075:return this.getRadius();case 1111490571:return a.antialiased?y(this.sX/2):this.sX;case 1111490572:return a.getScreenHeight()-(a.antialiased? +y(this.sY/2):this.sY);case 1111490573:return a.antialiased?y(this.sZ/2):this.sZ;case 1113589787:return a.slm.isAtomSelected(this.i)?1:0;case 1111490575:return a.ms.getSurfaceDistanceMax(),this.getSurfaceDistance100()/100;case 1111492620:return this.getBfactor100()/100;case 1111490577:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"X",d);case 1111490578:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"Y",d);case 1111490579:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"Z", +d);case 1648363544:return this.getVanderwaalsRadiusFloat(a,J.c.VDW.AUTO);case 1648361473:return b=this.getVibrationVector(),null==b?0:b.length()*a.getFloat(1648361473);case 1111492626:return this.getVib("x");case 1111492627:return this.getVib("y");case 1111492628:return this.getVib("z");case 1111490583:return this.getVib("X");case 1111490584:return this.getVib("Y");case 1111490585:return this.getVib("Z");case 1111490586:return this.getVib("O");case 1111490580:return this.getVib("1");case 1111490581:return this.getVib("2"); +case 1111490582:return this.getVib("3");case 1312817669:return this.getVolume(a,J.c.VDW.AUTO);case 1145047051:case 1145047053:case 1145045006:case 1145047052:case 1145047055:case 1145045008:case 1145047050:return a=this.atomPropertyTuple(a,b,d),null==a?-1:a.length()}return this.atomPropertyInt(b)},"JV.Viewer,~N,JU.P3");c(c$,"getVib",function(a){return this.group.chain.model.ms.getVibCoord(this.i,a)},"~S");c(c$,"getNominalMass",function(){var a=this.getIsotopeNumber();return 0>4;0==b&&(1>9;return JV.JC.getCIPRuleName(a+1)});j(c$,"setCIPChirality",function(a){this.formalChargeAndFlags=this.formalChargeAndFlags&-4081|a<<4},"~N");j(c$,"getCIPChiralityCode",function(){return(this.formalChargeAndFlags&496)>>4});j(c$,"getInsertionCode",function(){return this.group.getInsertionCode()});c(c$, +"atomPropertyTuple",function(a,b,d){switch(b){case 1073742329:return JU.P3.newP(this);case 1145047051:return this.getFractionalCoordPt(!a.g.legacyJavaFloat,!1,d);case 1145047053:return this.getFractionalCoordPt(!a.g.legacyJavaFloat,!1,d);case 1145045006:return this.group.chain.model.isJmolDataFrame?this.getFractionalCoordPt(!a.g.legacyJavaFloat,!1,d):this.getFractionalUnitCoordPt(!a.g.legacyJavaFloat,!1,d);case 1145047052:return JU.P3.new3(a.antialiased?y(this.sX/2):this.sX,a.getScreenHeight()-(a.antialiased? +y(this.sY/2):this.sY),a.antialiased?y(this.sZ/2):this.sZ);case 1145047055:return this.getVibrationVector();case 1145045008:return a=this.getModulation(),null==a?null:a.getV3();case 1145047050:return this;case 1765808134:return JU.CU.colorPtFromInt(this.group.chain.model.ms.vwr.gdata.getColorArgbOrGray(this.colixAtom),d)}return null},"JV.Viewer,~N,JU.P3");j(c$,"getOffsetResidueAtom",function(a,b){return this.group.getAtomIndex(a,b)},"~S,~N");j(c$,"isCrossLinked",function(a){return this.group.isCrossLinked(a.group)}, +"JU.Node");j(c$,"getCrossLinkVector",function(a,b,d){return this.group.getCrossLinkVector(a,b,d)},"JU.Lst,~B,~B");j(c$,"toString",function(){return this.getInfo()});j(c$,"findAtomsLike",function(a){return this.group.chain.model.ms.vwr.getAtomBitSet(a)},"~S");c(c$,"getUnitID",function(a){var b=this.group.chain.model;return b.isBioModel?b.getUnitID(this,a):""},"~N");j(c$,"getFloatProperty",function(a){a=this.group.chain.model.ms.vwr.getDataObj(a,null,1);var b=NaN;if(null!=a)try{b=a[this.i]}catch(d){if(!G(d, +Exception))throw d;}return b},"~S");j(c$,"modelIsRawPDB",function(){var a=this.group.chain.model;return a.isBioModel&&!a.isPdbWithMultipleBonds&&0==a.hydrogenCount});F(c$,"ATOM_INFRAME",1,"ATOM_VISSET",2,"ATOM_VISIBLE",4,"ATOM_NOTHIDDEN",8,"ATOM_NOFLAGS",-64,"ATOM_INFRAME_NOTHIDDEN",9,"ATOM_SHAPE_VIS_MASK",-10,"RADIUS_MAX",16,"RADIUS_GLOBAL",16.1,"MAD_GLOBAL",32200,"CHARGE_OFFSET",24,"FLAG_MASK",15,"VIBRATION_VECTOR_FLAG",1,"IS_HETERO_FLAG",2,"CIP_CHIRALITY_OFFSET",4,"CIP_CHIRALITY_MASK",496,"CIP_CHIRALITY_RULE_OFFSET", +9,"CIP_CHIRALITY_RULE_MASK",3584,"CIP_MASK",4080)});s("JM");u(["JU.V3"],"JM.AtomCollection","java.lang.Float java.util.Arrays $.Hashtable JU.A4 $.AU $.BS $.Lst $.M3 $.Measure $.P3 $.PT J.api.Interface $.JmolModulationSet J.atomdata.RadiusData J.c.PAL $.VDW JM.Group JS.T JU.BSUtil $.Elements $.Logger $.Parser $.Vibration".split(" "),function(){c$=t(function(){this.at=this.bioModelset=this.g3d=this.vwr=null;this.ac=0;this.labeler=this.pointGroup=this.trajectory=null;this.maxVanderwaalsRadius=this.maxBondingRadius= +1.4E-45;this.hasBfactorRange=!1;this.bfactor100Hi=this.bfactor100Lo=0;this.haveBSClickable=this.haveBSVisible=!1;this.bsSurface=null;this.surfaceDistanceMax=this.nSurfaceAtoms=0;this.haveChirality=!1;this.bspf=null;this.canSkipLoad=this.preserveState=!0;this.haveStraightness=!1;this.aaRet=this.bsPartialCharges=this.hydrophobicities=this.bondingRadii=this.partialCharges=this.bfactor100s=this.occupancies=this.vibrations=this.dssrData=this.atomSeqIDs=this.atomResnos=this.atomSerials=this.atomTypes=this.atomNames= +this.tainted=this.surfaceDistance100s=this.atomTensors=this.atomTensorList=this.bsModulated=this.bsClickable=this.bsVisible=this.bsHidden=null;T("JM.AtomCollection.AtomSorter")||JM.AtomCollection.$AtomCollection$AtomSorter$();this.atomCapacity=0;n(this,arguments)},JM,"AtomCollection");c(c$,"getAtom",function(a){return 0<=a&&aa?null:this.at[a].group.getQuaternion(b)},"~N,~S");c(c$,"getFirstAtomIndexFromAtomNumber",function(a,b){for(var d=0;dthis.maxBondingRadius)this.maxBondingRadius=a;if((a=d.getVanderwaalsRadiusFloat(this.vwr,J.c.VDW.AUTO))>this.maxVanderwaalsRadius)this.maxVanderwaalsRadius=a}}});c(c$,"clearBfactorRange",function(){this.hasBfactorRange=!1});c(c$,"calcBfactorRange",function(a){if(!this.hasBfactorRange){this.bfactor100Lo=2147483647;this.bfactor100Hi= +-2147483648;if(null==a)for(var b=0;bthis.bfactor100Hi&&(this.bfactor100Hi=a))},"~N");c(c$,"getBfactor100Lo",function(){this.hasBfactorRange||(this.vwr.g.rangeSelected?this.calcBfactorRange(this.vwr.bsA()):this.calcBfactorRange(null));return this.bfactor100Lo}); +c(c$,"getBfactor100Hi",function(){this.getBfactor100Lo();return this.bfactor100Hi});c(c$,"getSurfaceDistanceMax",function(){null==this.surfaceDistance100s&&this.calcSurfaceDistances();return this.surfaceDistanceMax});c(c$,"calculateVolume",function(a,b){var d=0;if(null!=a)for(var c=a.nextSetBit(0);0<=c;c=a.nextSetBit(c+1))d+=this.at[c].getVolume(this.vwr,b);return d},"JU.BS,J.c.VDW");c(c$,"getSurfaceDistance100",function(a){if(0==this.nSurfaceAtoms)return-1;null==this.surfaceDistance100s&&this.calcSurfaceDistances(); +return this.surfaceDistance100s[a]},"~N");c(c$,"calcSurfaceDistances",function(){this.calculateSurface(null,-1)});c(c$,"calculateSurface",function(a,b){0>b&&(b=3);var d=J.api.Interface.getOption("geodesic.EnvelopeCalculation",this.vwr,"ms").set(this.vwr,this.ac,null);d.calculate(new J.atomdata.RadiusData(null,b,J.atomdata.RadiusData.EnumType.ABSOLUTE,null),3.4028235E38,a,JU.BSUtil.copyInvert(a,this.ac),!1,!1,!1,!0);var c=d.getPoints();this.surfaceDistanceMax=0;this.bsSurface=d.getBsSurfaceClone(); +this.surfaceDistance100s=z(this.ac,0);this.nSurfaceAtoms=JU.BSUtil.cardinalityOf(this.bsSurface);if(0==this.nSurfaceAtoms||null==c||0==c.length)return c;for(var d=3.4028235E38==b?0:b,f=0;f=k)return;c=e.get(d++);break;case 2:if(d>=k)return;c=f[d++]}if(null!=c)switch(b){case 1145047050:this.setAtomCoord(j,c.x,c.y,c.z);break;case 1145047051:this.at[j].setFractionalCoordTo(c,!0);this.taintAtom(j, +2);break;case 1145047053:this.at[j].setFractionalCoordTo(c,!1);this.taintAtom(j,2);break;case 1145047055:this.setAtomVibrationVector(j,c)}}},"JU.BS,~N,~O");c(c$,"setAtomVibrationVector",function(a,b){this.setVibrationVector(a,b);this.taintAtom(a,12)},"~N,JU.T3");c(c$,"setAtomCoord",function(a,b,d,c){if(!(0>a||a>=this.ac)){var f=this.at[a];f.set(b,d,c);this.fixTrajectory(f);this.taintAtom(a,2)}},"~N,~N,~N,~N");c(c$,"fixTrajectory",function(a){this.isTrajectory(a.mi)&&this.trajectory.fixAtom(a)},"JM.Atom"); +c(c$,"setAtomCoordRelative",function(a,b,d,c){if(!(0>a||a>=this.ac)){var f=this.at[a];f.add3(b,d,c);this.fixTrajectory(f);this.taintAtom(a,2)}},"~N,~N,~N,~N");c(c$,"setAtomsCoordRelative",function(a,b,d,c){if(null!=a)for(var f=a.nextSetBit(0);0<=f;f=a.nextSetBit(f+1))this.setAtomCoordRelative(f,b,d,c)},"JU.BS,~N,~N,~N");c(c$,"setAPa",function(a,b,d,c,f,e,h){var k=0;if(!(null!=e&&0==e.length||null==a)){for(var j=null!=e&&e.length==this.ac||null!=h&&h.length==this.ac,x=a.nextSetBit(0);0<=x;x=a.nextSetBit(x+ +1)){j&&(k=x);if(null!=e){if(k>=e.length)return;c=e[k++];if(Float.isNaN(c))continue;d=A(c)}else if(null!=h){if(k>=h.length)return;f=h[k++]}var m=this.at[x],p;switch(b){case 1086326786:this.setAtomName(x,f,!0);break;case 1086326785:this.setAtomType(x,f);break;case 1086326788:this.setChainID(x,f);break;case 1094715393:this.setAtomNumber(x,d,!0);break;case 1094713365:this.setAtomSeqID(x,d);break;case 1111492609:case 1111492629:this.setAtomCoord(x,c,m.y,m.z);break;case 1111492610:case 1111492630:this.setAtomCoord(x, +m.x,c,m.z);break;case 1111492611:case 1111492631:this.setAtomCoord(x,m.x,m.y,c);break;case 1111492626:case 1111492627:case 1111492628:this.setVibrationVector2(x,b,c);break;case 1111492612:case 1111492613:case 1111492614:m.setFractionalCoord(b,c,!0);this.taintAtom(x,2);break;case 1111492615:case 1111492616:case 1111492617:m.setFractionalCoord(b,c,!1);this.taintAtom(x,2);break;case 1094715402:case 1086326789:this.setElement(m,d,!0);break;case 1631586315:this.resetPartialCharges();m.setFormalCharge(d); +this.taintAtom(x,4);break;case 1113589786:this.setHydrophobicity(x,c);break;case 1128269825:p=2>c&&0.01<=c?100*c:c;this.setOccupancy(x,p,!0);break;case 1111492619:this.setPartialCharge(x,c,!0);break;case 1111492618:this.setBondingRadius(x,c);break;case 1111492620:this.setBFactor(x,c,!0);break;case 1094715412:this.setAtomResno(x,d);break;case 1825200146:case 1287653388:this.vwr.shm.setAtomLabel(f,x);break;case 1665140738:case 1112152075:p=c;0>p?p=0:16=c&&(null==this.atomNames&&(this.atomNames=Array(this.at.length)), +this.atomNames[a]=b);d&&this.taintAtom(a,0)}},"~N,~S,~B");c(c$,"setAtomType",function(a,b){b.equals(this.at[a].getAtomType())||(null==this.atomTypes&&(this.atomTypes=Array(this.at.length)),this.atomTypes[a]=b)},"~N,~S");c(c$,"setChainID",function(a,b){if(!b.equals(this.at[a].getChainIDStr())){var d=this.at[a].getChainID(),d=this.getChainBits(d);this.at[a].group.chain.chainID=this.vwr.getChainID(b,!0);for(var c=d.nextSetBit(0);0<=c;c=d.nextSetBit(c+1))this.taintAtom(c,16)}},"~N,~S");c(c$,"setAtomNumber", +function(a,b,d){d&&b==this.at[a].getAtomNumber()||(null==this.atomSerials&&(this.atomSerials=z(this.at.length,0)),this.atomSerials[a]=b,d&&this.taintAtom(a,13))},"~N,~N,~B");c(c$,"setElement",function(a,b,d){d&&a.getElementNumber()==b||(a.setAtomicAndIsotopeNumber(b),a.paletteID=J.c.PAL.CPK.id,a.colixAtom=this.vwr.cm.getColixAtomPalette(a,J.c.PAL.CPK.id),this.resetPartialCharges(),d&&this.taintAtom(a.i,3))},"JM.Atom,~N,~B");c(c$,"resetPartialCharges",function(){this.bsPartialCharges=this.partialCharges= +null});c(c$,"setAtomResno",function(a,b){b!=this.at[a].getResno()&&(this.at[a].group.setResno(b),null==this.atomResnos&&(this.atomResnos=z(this.at.length,0)),this.atomResnos[a]=b,this.taintAtom(a,15))},"~N,~N");c(c$,"setAtomSeqID",function(a,b){b!=this.at[a].getSeqID()&&(null==this.atomSeqIDs&&(this.atomSeqIDs=z(this.at.length,0)),this.atomSeqIDs[a]=b,this.taintAtom(a,14))},"~N,~N");c(c$,"setOccupancy",function(a,b,d){if(!(d&&b==this.at[a].getOccupancy100())){if(null==this.occupancies){if(100==b)return; +this.occupancies=H(this.at.length,0);for(var c=this.at.length;0<=--c;)this.occupancies[c]=100}this.occupancies[a]=b;d&&this.taintAtom(a,7)}},"~N,~N,~B");c(c$,"setPartialCharge",function(a,b,d){if(!Float.isNaN(b)){if(null==this.partialCharges){this.bsPartialCharges=new JU.BS;if(0==b)return;this.partialCharges=H(this.at.length,0)}this.bsPartialCharges.set(a);this.partialCharges[a]=b;d&&this.taintAtom(a,8)}},"~N,~N,~B");c(c$,"setBondingRadius",function(a,b){Float.isNaN(b)||b==this.at[a].getBondingRadius()|| +(null==this.bondingRadii?this.bondingRadii=H(this.at.length,0):this.bondingRadii.lengthb?-327.68:327.67b?-0.5:0.5));d&&this.taintAtom(a, +9)}},"~N,~N,~B");c(c$,"setHydrophobicity",function(a,b){if(!(Float.isNaN(b)||b==this.at[a].getHydrophobicity())){if(null==this.hydrophobicities){this.hydrophobicities=H(this.at.length,0);for(var d=0;dm||m>=this.ac)){var p=this.at[m];h++;var n=x.length-1,v=JU.PT.parseFloat(x[n]);switch(a){case 17:f[m]=v;e.set(m);continue;case 0:this.setAtomName(m,x[n],!0);break;case 13:this.setAtomNumber(m,A(v),!0);break;case 15:this.setAtomResno(m,A(v)); +break;case 14:this.setAtomSeqID(m,A(v));break;case 1:this.setAtomType(m,x[n]);break;case 16:this.setChainID(m,x[n]);break;case 3:p.setAtomicAndIsotopeNumber(A(v));p.paletteID=J.c.PAL.CPK.id;p.colixAtom=this.vwr.cm.getColixAtomPalette(p,J.c.PAL.CPK.id);break;case 4:p.setFormalCharge(A(v));break;case 5:this.setHydrophobicity(m,v);break;case 6:this.setBondingRadius(m,v);break;case 8:this.setPartialCharge(m,v,!0);break;case 9:this.setBFactor(m,v,!0);break;case 10:p.setValence(A(v));break;case 11:p.setRadius(v)}this.taintAtom(m, +a)}}17==a&&0d;d++)if(JM.AtomCollection.userSettableValues[d].equalsIgnoreCase(a))return d;return b?17:-1},"~S");c(c$,"getTaintedAtoms",function(a){return null==this.tainted?null:this.tainted[a]},"~N");c(c$,"taintAtoms",function(a,b){this.canSkipLoad=!1;if(this.preserveState)for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))this.taintAtom(d,b)},"JU.BS,~N");c(c$,"taintAtom", +function(a,b){this.preserveState&&(null==this.tainted&&(this.tainted=Array(17)),null==this.tainted[b]&&(this.tainted[b]=JU.BS.newN(this.ac)),this.tainted[b].set(a));2==b&&this.taintModelCoord(a)},"~N,~N");c(c$,"taintModelCoord",function(a){a=this.am[this.at[a].mi];this.validateBspfForModel(a.trajectoryBaseIndex,!1);a.isBioModel&&a.resetDSSR(!0);this.pointGroup=null},"~N");c(c$,"untaint",function(a,b){this.preserveState&&(null==this.tainted||null==this.tainted[b]||this.tainted[b].clear(a))},"~N,~N"); +c(c$,"setTaintedAtoms",function(a,b){if(this.preserveState){if(null==a){if(null==this.tainted)return;this.tainted[b]=null;return}null==this.tainted&&(this.tainted=Array(17));null==this.tainted[b]&&(this.tainted[b]=JU.BS.newN(this.ac));JU.BSUtil.copy2(a,this.tainted[b])}if(2==b){var d=a.nextSetBit(0);0<=d&&this.taintModelCoord(d)}},"JU.BS,~N");c(c$,"unTaintAtoms",function(a,b){if(!(null==this.tainted||null==this.tainted[b])){for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))this.tainted[b].clear(d); +0>this.tainted[b].nextSetBit(0)&&(this.tainted[b]=null)}},"JU.BS,~N");c(c$,"findNearest2",function(a,b,d,c,f){for(var e=null,h,k=this.ac;0<=--k;)if(!(null!=c&&c.get(k)||null==(h=this.at[k])))h.isClickable()&&this.isCursorOnTopOf(h,a,b,f,e)&&(e=h);d[0]=e},"~N,~N,~A,JU.BS,~N");c(c$,"isCursorOnTopOf",function(a,b,d,c,f){return 1=r?1.1:10>=r?1:1.3;switch(r){case 7:case 8:s=1}p=f||c?q.getCovalentHydrogenCount():0;if(!(f&&0d)return 0;var c=a.getFormalCharge(),f=a.getValence(),e=this.am[a.mi],e=e.isBioModel&&!e.isPdbWithMultipleBonds?a.group.getGroup3():null;null==this.aaRet&&(this.aaRet=z(5,0));this.aaRet[0]=d;this.aaRet[1]=c;this.aaRet[2]=0;this.aaRet[3]=a.getCovalentBondCount();this.aaRet[4]=null==e?0:f;null!=e&&0==c&&this.bioModelset.getAminoAcidValenceAndCharge(e,a.getAtomName(),this.aaRet)&&(d=this.aaRet[0],c=this.aaRet[1]); +0!=c&&(d+=4==d?-Math.abs(c):c,this.aaRet[0]=d);d-=f;return 0>d&&!b?0:d},"JM.Atom,~B");c(c$,"fixFormalCharges",function(a){for(var b=0,d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1)){var c=this.at[d],f=this.getMissingHydrogenCount(c,!0);if(0!=f){var e=c.getFormalCharge(),f=e-f;c.setFormalCharge(f);this.taintAtom(d,4);JU.Logger.debugging&&JU.Logger.debug("atom "+c+" formal charge "+e+" -> "+f);b++}}return b},"JU.BS");c(c$,"getHybridizationAndAxes",function(a,b,d,c,f,e,h,k){var j=0p||6c.angle(q[1])?a.cross(c,q[1]):a.cross(c,q[2]);a.normalize();var r= +new JU.V3;2.984513>q[1].angle(q[2])?r.cross(q[1],q[2]):r.cross(c,q[2]);r.normalize();n=0.95<=Math.abs(r.dot(a))}var v=0==j.indexOf("sp3"),s=!v&&0==j.indexOf("sp2"),t=!v&&!s&&0==j.indexOf("sp"),u=0==j.indexOf("p"),w=0==j.indexOf("lp"),r=null;if(e){if(0==m)return null;if(v){if(3d.length()){if(0<=j.indexOf("2")||0<=j.indexOf("3"))return null;r="sp";break}r=v?"sp3":"sp2";if(0==j.indexOf("sp"))break;if(w){r="lp";break}r=j;break;default:if(n&&!k)r="sp2";else{n&&d.setT(a);if(w&&3==m){r="lp";break}r="sp3"}}if(null==r)return null;if(0==j.indexOf("p")){if("sp3"===r)return null}else if(0>j.indexOf(r))return null}if(p +d.length()){if(!j.equals("pz")){n=x[0];(b=3==n.getCovalentBondCount())||(b=3==(n=x[1]).getCovalentBondCount());if(b){this.getHybridizationAndAxes(n.i,0,c,d,"pz",!1,h,k);j.equals("px")&&c.scale(-1);d.setT(q[0]);break}a.setT(JM.AtomCollection.vRef);d.cross(a,c);a.cross(d,c)}d.setT(c);c.cross(a,d);break}a.cross(d,c);if(s){c.cross(d,a);break}if(v||w){a.normalize();d.normalize();j.equals("lp")||(0==p||2==p?d.scaleAdd2(-1.2,a,d):d.scaleAdd2(1.2,a,d));c.cross(d,a);break}c.cross(d,a);d.setT(a);0>d.z&&(d.scale(-1), +c.scale(-1));break;default:if(v)break;if(!n){c.cross(d,c);break}d.setT(a);0>d.z&&h&&(d.scale(-1),c.scale(-1))}c.normalize();d.normalize();return r},"~N,~N,JU.V3,JU.V3,~S,~B,~B,~B");c(c$,"getHybridizationAndAxesD",function(a,b,d,c){c.startsWith("sp3d2")&&(c="d2sp3"+(5==c.length?"a":c.substring(5)));c.startsWith("sp3d")&&(c="dsp3"+(4==c.length?"a":c.substring(4)));if(c.equals("d2sp3")||c.equals("dsp3"))c+="a";var f=c.startsWith("dsp3"),e=c.charCodeAt(c.length-1)-97;if(null!=b&&(!f&&(5h&&null!=b)return null;for(var k=e>=h,j=y(h*(h-1)/2),x=JU.AU.newInt2(j),m=z(3,0),j=z(3,j,0),p=0,q=0,v=0;vr?0:150<=r?2:1;j[r][m[r]]=p;m[r]++;x[p++]=z(-1,[v,n]);0==v&&1==r&&q++}p=100*m[0]+10*m[1]+m[2];if(null==b)switch(p){default:return"";case 0:return"";case 1:return"linear";case 100:case 10:return"bent"; +case 111:case 201:return"T-shaped";case 30:case 120:case 210:case 300:return 162b)return null;b=Array(f);if(0c)d.set(a);else if(8==(f=this.at[a]).getElementNumber()&&2==f.getCovalentBondCount()){for(var c=f.bonds, +h=0,k=c.length;0<=--k&&3>h;)if(c[k].isCovalent()&&1==(e=c[k].getOtherAtom(f)).getElementNumber())b[h++%2]=e.i;2==h&&(d.set(b[1]),d.set(b[0]),d.set(a))}return d;case 1073742355:for(a=this.ac;0<=--a;)null!=this.at[a]&&this.isAltLoc(this.at[a].altloc,b)&&d.set(a);return d;case 1073742356:f=b.toUpperCase();0<=f.indexOf("\\?")&&(f=JU.PT.rep(f,"\\?","\u0001"));(e=f.startsWith("?*"))&&(f=f.substring(1));for(a=this.ac;0<=--a;)null!=this.at[a]&&this.isAtomNameMatch(this.at[a],f,e,e)&&d.set(a);return d;case 1073742357:return JU.BSUtil.copy(this.getChainBits(c)); +case 1073742360:return this.getSpecName(b);case 1073742361:for(a=this.ac;0<=--a;)null!=this.at[a]&&this.at[a].group.groupID==c&&d.set(a);return d;case 1073742362:return JU.BSUtil.copy(this.getSeqcodeBits(c,!0));case 5:for(a=this.ac;0<=--a;)null!=this.at[a]&&this.at[a].group.getInsCode()==c&&d.set(a);return d;case 1296041986:for(a=this.ac;0<=--a;)null!=this.at[a]&&this.at[a].getSymOp()==c&&d.set(a);return d}e=b.nextSetBit(0);if(0>e)return d;switch(a){case 1094717454:f=JU.BSUtil.copy(b);for(a=e;0<= +a;a=f.nextSetBit(a+1))d.or(this.am[this.at[a].mi].bsAtoms),f.andNot(d);return d;case 1086326788:f=JU.BSUtil.copy(b);for(a=e;0<=a;a=f.nextSetBit(a+1))this.at[a].group.chain.setAtomBits(d),f.andNot(d);return d;case 1086326789:f=new JU.BS;for(a=e;0<=a;a=b.nextSetBit(a+1))f.set(this.at[a].getElementNumber());for(a=this.ac;0<=--a;)null!=this.at[a]&&f.get(this.at[a].getElementNumber())&&d.set(a);return d;case 1086324742:f=JU.BSUtil.copy(b);for(a=e;0<=a;a=f.nextSetBit(a+1))this.at[a].group.setAtomBits(d), +f.andNot(d);return d;case 1094713366:f=new JU.BS;for(a=e;0<=a;a=b.nextSetBit(a+1))f.set(this.at[a].atomSite);for(a=this.ac;0<=--a;)null!=this.at[a]&&f.get(this.at[a].atomSite)&&d.set(a);return d}JU.Logger.error("MISSING getAtomBits entry for "+JS.T.nameOf(a));return d},"~N,~O,JU.BS");c(c$,"getChainBits",function(a){var b=this.vwr.getBoolean(603979822);b?97<=a&&122>=a&&(a+=159):0<=a&&300>a&&(a=this.chainToUpper(a));for(var d=new JU.BS,c=JU.BS.newN(this.ac),f,e=c.nextClearBit(0);ef&&a==this.chainToUpper(f)?(h.setAtomBits(d),c.or(d)):h.setAtomBits(c)}return d},"~N");c(c$,"chainToUpper",function(a){return 97<=a&&122>=a?a-32:256<=a&&300>a?a-191:a},"~N");c(c$,"isAltLoc",function(a,b){if(null==b)return"\x00"==a;if(1!=b.length)return!1;var d=b.charAt(0);return"*"==d||"?"==d&&"\x00"!=a||a==d},"~S,~S");c(c$,"getSeqcodeBits",function(a,b){var d=new JU.BS,c=JM.Group.getSeqNumberFor(a),f=2147483647!= +c,e=!0,h=JM.Group.getInsertionCodeChar(a);switch(h){case "?":for(var k=this.ac;0<=--k;)if(null!=this.at[k]){var j=this.at[k].group.seqcode;if((!f||c==JM.Group.getSeqNumberFor(j))&&0!=JM.Group.getInsertionCodeFor(j))d.set(k),e=!1}break;default:for(k=this.ac;0<=--k;)if(null!=this.at[k]&&(j=this.at[k].group.seqcode,a==j||!f&&a==JM.Group.getInsertionCodeFor(j)||"*"==h&&c==JM.Group.getSeqNumberFor(j)))d.set(k),e=!1}return!e||b?d:null},"~N,~B");c(c$,"getIdentifierOrNull",function(a){var b=this.getSpecNameOrNull(a, +!1);0<=a.indexOf("\\?")&&(a=JU.PT.rep(a,"\\?","\u0001"));return null!=b||0a&&0.1>=e&&e>=a||0==a&&0.01>Math.abs(e))&&d.set(f.i)}}return d},"~N,JU.P4");c(c$,"clearVisibleSets",function(){this.haveBSClickable=this.haveBSVisible=!1});c(c$,"getAtomsInFrame",function(a){this.clearVisibleSets(); +a.clearAll();for(var b=this.ac;0<=--b;)null!=this.at[b]&&this.at[b].isVisible(1)&&a.set(b)},"JU.BS");c(c$,"getVisibleSet",function(a){if(a)this.vwr.setModelVisibility(),this.vwr.shm.finalizeAtoms(null,!0);else if(this.haveBSVisible)return this.bsVisible;this.bsVisible.clearAll();for(a=this.ac;0<=--a;)null!=this.at[a]&&this.at[a].checkVisible()&&this.bsVisible.set(a);null!=this.vwr.shm.bsSlabbedInternal&&this.bsVisible.andNot(this.vwr.shm.bsSlabbedInternal);this.haveBSVisible=!0;return this.bsVisible}, +"~B");c(c$,"getClickableSet",function(a){if(a)this.vwr.setModelVisibility();else if(this.haveBSClickable)return this.bsClickable;this.bsClickable.clearAll();for(a=this.ac;0<=--a;)null!=this.at[a]&&this.at[a].isClickable()&&this.bsClickable.set(a);this.haveBSClickable=!0;return this.bsClickable},"~B");c(c$,"isModulated",function(a){return null!=this.bsModulated&&this.bsModulated.get(a)},"~N");c(c$,"deleteModelAtoms",function(a,b,d){this.at=JU.AU.deleteElements(this.at,a,b);this.ac=this.at.length;for(var c= +a;ca;a++)JU.BSUtil.deleteBits(this.tainted[a],d)},"~N,~N,JU.BS");c(c$,"getAtomIdentityInfo",function(a,b,d){b.put("_ipt",Integer.$valueOf(a));b.put("atomIndex",Integer.$valueOf(a)); +b.put("atomno",Integer.$valueOf(this.at[a].getAtomNumber()));b.put("info",this.getAtomInfo(a,null,d));b.put("sym",this.at[a].getElementSymbol())},"~N,java.util.Map,JU.P3");c(c$,"getAtomTensorList",function(a){return 0>a||null==this.atomTensorList||a>=this.atomTensorList.length?null:this.atomTensorList[a]},"~N");c(c$,"deleteAtomTensors",function(a){if(null!=this.atomTensors){for(var b=new JU.Lst,d,c=this.atomTensors.keySet().iterator();c.hasNext()&&((d=c.next())||1);){for(var f=this.atomTensors.get(d), +e=f.size();0<=--e;){var h=f.get(e);(a.get(h.atomIndex1)||0<=h.atomIndex2&&a.get(h.atomIndex2))&&f.removeItemAt(e)}0==f.size()&&b.addLast(d)}for(e=b.size();0<=--e;)this.atomTensors.remove(b.get(e))}},"JU.BS");c(c$,"setCapacity",function(a){this.atomCapacity+=a},"~N");c(c$,"setAtomTensors",function(a,b){if(!(null==b||0==b.size())){null==this.atomTensors&&(this.atomTensors=new java.util.Hashtable);null==this.atomTensorList&&(this.atomTensorList=Array(this.at.length));this.atomTensorList=JU.AU.ensureLength(this.atomTensorList, +this.at.length);this.atomTensorList[a]=JM.AtomCollection.getTensorList(b);for(var d=b.size();0<=--d;){var c=b.get(d);c.atomIndex1=a;c.atomIndex2=-1;c.modelIndex=this.at[a].mi;this.addTensor(c,c.type);null!=c.altType&&this.addTensor(c,c.altType)}}},"~N,JU.Lst");c(c$,"addTensor",function(a,b){b=b.toLowerCase();var d=this.atomTensors.get(b);null==d&&(this.atomTensors.put(b,d=new JU.Lst),d.ensureCapacity(this.atomCapacity));d.addLast(a)},"JU.Tensor,~S");c$.getTensorList=c(c$,"getTensorList",function(a){for(var b= +-1,d=!1,c=a.size(),f=c;0<=--f;){var e=a.get(f);e.forThermalEllipsoid?b=f:2==e.iType&&(d=!0)}var h=Array((0<=b||!d?0:1)+c);if(0<=b&&(h[0]=a.get(b),1==a.size()))return h;if(d){b=0;for(f=c;0<=--f;)e=a.get(f),e.forThermalEllipsoid||(h[++b]=e)}else for(f=0;f +a||a>=this.ac?null:this.at[a].getUnitCell(),c=null!=b&&Float.isNaN(b.x);return null==d?new JU.Lst:d.generateCrystalClass(c?null:null!=b?b:this.at[a])},"~N,JU.P3");c$.$AtomCollection$AtomSorter$=function(){M(self.c$);c$=t(function(){V(this,arguments);n(this,arguments)},JM.AtomCollection,"AtomSorter",null,java.util.Comparator);j(c$,"compare",function(a,b){return a.i>b.i?1:a.ie?-1:c;if(this.isVdw=null!= +h)this.radiusData=h,this.atoms=a.at,this.vwr=a.vwr,e=h.factorType===J.atomdata.RadiusData.EnumType.OFFSET?5+h.value:5*h.value,this.vdw1=this.atoms[c].getVanderwaalsRadiusFloat(this.vwr,h.vdwType);this.checkGreater=this.isGreaterOnly&&2147483647!=c;this.setCenter(f,e)}},"JM.ModelSet,~N,~N,~N,JU.T3,~N,J.atomdata.RadiusData");j(c$,"setCenter",function(a,b){this.setCenter2(a,b)},"JU.T3,~N");c(c$,"setCenter2",function(a,b){null!=this.cubeIterator&&(this.cubeIterator.initialize(a,b,this.hemisphereOnly), +this.distanceSquared=b*b)},"JU.T3,~N");j(c$,"hasNext",function(){return this.hasNext2()});c(c$,"hasNext2",function(){if(0<=this.atomIndex)for(;this.cubeIterator.hasMoreElements();){var a=this.cubeIterator.nextElement();if((this.iNext=a.i)!=this.atomIndex&&(!this.checkGreater||this.iNext>this.atomIndex)&&(null==this.bsSelected||this.bsSelected.get(this.iNext)))return!0}else if(this.cubeIterator.hasMoreElements())return a=this.cubeIterator.nextElement(),this.iNext=a.i,!0;this.iNext=-1;return!1});j(c$, +"next",function(){return this.iNext-this.zeroBase});j(c$,"foundDistance2",function(){return null==this.cubeIterator?-1:this.cubeIterator.foundDistance2()});j(c$,"addAtoms",function(a){for(var b;this.hasNext();)if(0<=(b=this.next())){var d;if(this.isVdw){d=this.atoms[b].getVanderwaalsRadiusFloat(this.vwr,this.radiusData.vdwType)+this.vdw1;switch(this.radiusData.factorType){case J.atomdata.RadiusData.EnumType.OFFSET:d+=2*this.radiusData.value;break;case J.atomdata.RadiusData.EnumType.FACTOR:d*=this.radiusData.value}d*= +d}else d=this.distanceSquared;this.foundDistance2()<=d&&a.set(b)}},"JU.BS");j(c$,"release",function(){null!=this.cubeIterator&&(this.cubeIterator.release(),this.cubeIterator=null)});j(c$,"getPosition",function(){return null})});s("JM");u(["JM.AtomIteratorWithinModel"],"JM.AtomIteratorWithinModelSet",null,function(){c$=t(function(){this.center=this.bsModels=null;this.distance=0;n(this,arguments)},JM,"AtomIteratorWithinModelSet",JM.AtomIteratorWithinModel);r(c$,function(a){K(this,JM.AtomIteratorWithinModelSet, +[]);this.bsModels=a},"JU.BS");j(c$,"setCenter",function(a,b){this.center=a;this.distance=b;this.set(0)},"JU.T3,~N");c(c$,"set",function(a){if(0>(this.modelIndex=this.bsModels.nextSetBit(a))||null==(this.cubeIterator=this.bspf.getCubeIterator(this.modelIndex)))return!1;this.setCenter2(this.center,this.distance);return!0},"~N");j(c$,"hasNext",function(){return this.hasNext2()?!0:!this.set(this.modelIndex+1)?!1:this.hasNext()})});s("JM");u(["JU.Edge","JV.JC"],"JM.Bond",["JU.C"],function(){c$=t(function(){this.atom2= +this.atom1=null;this.shapeVisibilityFlags=this.colix=this.mad=0;n(this,arguments)},JM,"Bond",JU.Edge);r(c$,function(a,b,d,c,f){K(this,JM.Bond,[]);this.atom1=a;this.atom2=b;this.colix=f;this.setOrder(d);this.setMad(c)},"JM.Atom,JM.Atom,~N,~N,~N");c(c$,"setMad",function(a){this.mad=a;this.setShapeVisibility(0!=a)},"~N");c(c$,"setShapeVisibility",function(a){0!=(this.shapeVisibilityFlags&JM.Bond.myVisibilityFlag)!=a&&(this.atom1.addDisplayedBond(JM.Bond.myVisibilityFlag,a),this.atom2.addDisplayedBond(JM.Bond.myVisibilityFlag, +a),this.shapeVisibilityFlags=a?this.shapeVisibilityFlags|JM.Bond.myVisibilityFlag:this.shapeVisibilityFlags&~JM.Bond.myVisibilityFlag)},"~B");c(c$,"getIdentity",function(){return this.index+1+" "+JU.Edge.getBondOrderNumberFromOrder(this.order)+" "+this.atom1.getInfo()+" -- "+this.atom2.getInfo()+" "+this.atom1.distance(this.atom2)});j(c$,"isCovalent",function(){return 0!=(this.order&1023)});j(c$,"isHydrogen",function(){return JU.Edge.isOrderH(this.order)});c(c$,"isStereo",function(){return 0!=(this.order& +1024)});c(c$,"isPartial",function(){return 0!=(this.order&224)});c(c$,"isAromatic",function(){return 0!=(this.order&512)});c(c$,"getEnergy",function(){return 0});c(c$,"getValence",function(){return!this.isCovalent()?0:this.isPartial()||this.is(515)?1:this.order&7});c(c$,"deleteAtomReferences",function(){null!=this.atom1&&this.atom1.deleteBond(this);null!=this.atom2&&this.atom2.deleteBond(this);this.atom1=this.atom2=null});c(c$,"setTranslucent",function(a,b){this.colix=JU.C.getColixTranslucent3(this.colix, +a,b)},"~B,~N");c(c$,"setOrder",function(a){16==this.atom1.getElementNumber()&&16==this.atom2.getElementNumber()&&(a|=256);512==a&&(a=515);this.order=a|this.order&131072},"~N");j(c$,"getAtomIndex1",function(){return this.atom1.i});j(c$,"getAtomIndex2",function(){return this.atom2.i});j(c$,"getCovalentOrder",function(){return JU.Edge.getCovalentBondOrder(this.order)});c(c$,"getOtherAtom",function(a){return this.atom1===a?this.atom2:this.atom2===a?this.atom1:null},"JM.Atom");c(c$,"is",function(a){return(this.order& +-131073)==a},"~N");j(c$,"getOtherNode",function(a){return this.atom1===a?this.atom2:this.atom2===a||null==a?this.atom1:null},"JU.SimpleNode");c(c$,"setAtropisomerOptions",function(a,b){b.get(this.atom1.i);var d,c=2147483647,f=this.atom1.bonds;for(d=0;d=f.length||2d&&0c&&200>this.numCached[c]&&(this.freeBonds[c][this.numCached[c]++]=b)}return d},"JM.Bond,~A");c(c$,"addHBond",function(a,b,d,c){this.bondCount==this.bo.length&&(this.bo=JU.AU.arrayCopyObject(this.bo,this.bondCount+250));return this.setBond(this.bondCount++,this.bondMutually(a,b,d,1,c)).index},"JM.Atom,JM.Atom,~N,~N");c(c$,"deleteAllBonds2",function(){this.vwr.setShapeProperty(1,"reset",null);for(var a=this.bondCount;0<= +--a;)this.bo[a].deleteAtomReferences(),this.bo[a]=null;this.bondCount=0});c(c$,"getDefaultMadFromOrder",function(a){return JU.Edge.isOrderH(a)?1:32768==a?y(Math.floor(2E3*this.vwr.getFloat(570425406))):this.defaultCovalentMad},"~N");c(c$,"deleteConnections",function(a,b,d,c,f,e,h){var k=0>a,j=0>b,x=k||j;a=this.fixD(a,k);b=this.fixD(b,j);var m=new JU.BS,p=0,q=d|=131072;!h&&JU.Edge.isOrderH(d)&&(d=30720);if(e)e=c;else{e=new JU.BS;for(var v=c.nextSetBit(0);0<=v;v=c.nextSetBit(v+1)){var n=this.at[v]; +if(null!=n.bonds)for(var r=n.bonds.length;0<=--r;)f.get(n.getBondedAtomIndex(r))&&e.set(n.bonds[r].index)}}for(v=e.nextSetBit(0);v=a*d:k>=d)&&(e?h<=a*c:k<=c)):k>=d&&k<=c},"JM.Atom,JM.Atom,~N,~N,~B,~B,~B");c(c$,"dBb",function(a,b){var d=a.nextSetBit(0);if(!(0>d)){this.resetMolecules();for(var c=-1,f=a.cardinality(),e=d;e=d;)this.bo[c]=null;this.bondCount=d;d=this.vwr.getShapeProperty(1, +"sets");if(null!=d)for(c=0;c=a.atom1.getCovalentBondCount()&&3>=a.atom2.getCovalentBondCount();default:return!1}},"JM.Bond");c(c$,"assignAromaticMustBeSingle",function(a){var b=a.getElementNumber();switch(b){case 6:case 7:case 8:case 16:break;default:return!0}var d=a.getValence();switch(b){case 6:return 4==d;case 7:return a.group.getNitrogenAtom()===a||3==d&&1>a.getFormalCharge();case 8:return a.group.getCarbonylOxygenAtom()!== +a&&2==d&&1>a.getFormalCharge();case 16:return 5==a.group.groupID||2==d&&1>a.getFormalCharge()}return!1},"JM.Atom");c(c$,"assignAromaticNandO",function(a){for(var b,d=null==a,c=d?this.bondCount-1:a.nextSetBit(0);0<=c;c=d?c-1:a.nextSetBit(c+1))if(b=this.bo[c],b.is(513)){var f,e=b.atom2,h,k=e.getElementNumber();7==k||8==k?(h=k,f=e,e=b.atom1,k=e.getElementNumber()):(f=b.atom1,h=f.getElementNumber());if(!(7!=h&&8!=h)){var j=f.getValence();if(!(0>j)){var x=f.getCovalentBondCount();f=f.getFormalCharge(); +switch(h){case 7:3==j&&(3==x&&1>f&&6==k&&3==e.getValence())&&b.setOrder(514);break;case 8:1==j&&(0==f&&(14==k||16==k))&&b.setOrder(514)}}}}},"JU.BS");c(c$,"getAtomBitsMDb",function(a,b){var d=new JU.BS;switch(a){default:return this.getAtomBitsMDa(a,b,d);case 1677721602:for(var c=b.nextSetBit(0);0<=c;c=b.nextSetBit(c+1))d.set(this.bo[c].atom1.i),d.set(this.bo[c].atom2.i);return d;case 1073742331:for(c=this.bondCount;0<=--c;)this.bo[c].isAromatic()&&(d.set(this.bo[c].atom1.i),d.set(this.bo[c].atom2.i)); +return d}},"~N,~O");c(c$,"removeUnnecessaryBonds",function(a,b){var d=new JU.BS,c=new JU.BS,f=a.bonds;if(null!=f){for(var e=0;eb?e.clear(k):d&&0==c&&e.set(k);return e},"~N,~N,~N,JU.BS"); +F(c$,"BOND_GROWTH_INCREMENT",250,"MAX_BONDS_LENGTH_TO_CACHE",5,"MAX_NUM_TO_CACHE",200)});s("JM");N(JM,"BondIterator");s("JM");u(["JM.BondIterator"],"JM.BondIteratorSelected",null,function(){c$=t(function(){this.bonds=null;this.iBond=this.bondType=this.bondCount=0;this.bsSelected=null;this.bondSelectionModeOr=!1;n(this,arguments)},JM,"BondIteratorSelected",null,JM.BondIterator);r(c$,function(a,b,d,c,f){this.bonds=a;this.bondCount=b;this.bondType=d;this.bsSelected=c;this.bondSelectionModeOr=f},"~A,~N,~N,JU.BS,~B"); +j(c$,"hasNext",function(){if(131071==this.bondType)return this.iBond=this.bsSelected.nextSetBit(this.iBond),0<=this.iBond&&this.iBondthis.chainID?""+String.fromCharCode(this.chainID):this.model.ms.vwr.getChainIDStr(this.chainID)});c(c$,"calcSelectedGroupsCount",function(a){for(var b=this.selectedGroupCount=0;bthis.groupID?"":JM.Group.group3Names[this.groupID]});c(c$,"getGroup1",function(){return"\x00"== this.group1?"?":this.group1});c(c$,"getBioPolymerLength",function(){return 0});c(c$,"getMonomerIndex",function(){return-1});c(c$,"getStructure",function(){return null});c(c$,"getStrucNo",function(){return 0});c(c$,"getProteinStructureType",function(){return J.c.STR.NOT});c(c$,"getProteinStructureSubType",function(){return this.getProteinStructureType()});c(c$,"setProteinStructureType",function(){return-1},"J.c.STR,~N");c(c$,"isProtein",function(){return 1<=this.groupID&&24>this.groupID});c(c$,"isNucleic", @@ -1371,29 +1381,29 @@ function(){return null});c(c$,"getQuaternion",function(){return null},"~S");c(c$ c(c$,"getStructureId",function(){return""});c(c$,"getBioPolymerIndexInModel",function(){return-1});c(c$,"isCrossLinked",function(){return!1},"JM.Group");c(c$,"getCrossLinkVector",function(){return!1},"JU.Lst,~B,~B");c(c$,"isConnectedPrevious",function(){return!1});c(c$,"getNitrogenAtom",function(){return null});c(c$,"getCarbonylOxygenAtom",function(){return null});c(c$,"fixIndices",function(a,b){this.firstAtomIndex-=a;this.leadAtomIndex-=a;this.lastAtomIndex-=a;null!=this.bsAdded&&JU.BSUtil.deleteBits(this.bsAdded, b)},"~N,JU.BS");c(c$,"getGroupInfo",function(a,b){var d=new java.util.Hashtable;d.put("groupIndex",Integer.$valueOf(a));d.put("groupID",Short.$valueOf(this.groupID));var c=this.getSeqcodeString();null!=c&&d.put("seqCode",c);d.put("_apt1",Integer.$valueOf(this.firstAtomIndex));d.put("_apt2",Integer.$valueOf(this.lastAtomIndex));null!=this.bsAdded&&d.put("addedAtoms",this.bsAdded);d.put("atomInfo1",this.chain.model.ms.getAtomInfo(this.firstAtomIndex,null,b));d.put("atomInfo2",this.chain.model.ms.getAtomInfo(this.lastAtomIndex, null,b));d.put("visibilityFlags",Integer.$valueOf(this.shapeVisibilityFlags));return d},"~N,JU.P3");c(c$,"getMinZ",function(a,b){b[0]=2147483647;for(var d=this.firstAtomIndex;d<=this.lastAtomIndex;d++)this.checkMinZ(a[d],b);if(null!=this.bsAdded)for(d=this.bsAdded.nextSetBit(0);0<=d;d=this.bsAdded.nextSetBit(d+1))this.checkMinZ(a[d],b)},"~A,~A");c(c$,"checkMinZ",function(a,b){var d=a.sZ-y(a.sD/2)-2;db.indexOf("%")||2>b.length)return v(-1,[(new JM.LabelToken).set(b,-1)]);for(var f=0,e=-1,h=b.length;++eb.indexOf("%")||2>b.length)return w(-1,[(new JM.LabelToken).set(b,-1)]);for(var f=0,e=-1,h=b.length;++e=j.tok||null!=j.key?null!=h&&(h.append(j.text),"\x00"!=j.ch1&&h.appendC(j.ch1)): JM.LabelToken.appendAtomTokenValue(a,b,j,h,f,e))}return null==h?null:h.toString().intern()},"JV.Viewer,JM.Atom,~A,~S,~A,JU.P3");c$.getBondLabelValues=c(c$,"getBondLabelValues",function(){var a=new java.util.Hashtable;a.put("#","");a.put("ORDER","");a.put("TYPE","");a.put("LENGTH",Float.$valueOf(0));a.put("ENERGY",Float.$valueOf(0));return a});c$.formatLabelBond=c(c$,"formatLabelBond",function(a,b,d,c,f,e){c.put("#",""+(b.index+1));c.put("ORDER",""+JU.Edge.getBondOrderNumberFromOrder(b.order));c.put("TYPE", JU.Edge.getBondOrderNameFromOrder(b.order));c.put("LENGTH",Float.$valueOf(b.atom1.distance(b.atom2)));c.put("ENERGY",Float.$valueOf(b.getEnergy()));JM.LabelToken.setValues(d,c);JM.LabelToken.formatLabelAtomArray(a,b.atom1,d,"1",f,e);JM.LabelToken.formatLabelAtomArray(a,b.atom2,d,"2",f,e);return JM.LabelToken.getLabel(d)},"JV.Viewer,JM.Bond,~A,java.util.Map,~A,JU.P3");c$.formatLabelMeasure=c(c$,"formatLabelMeasure",function(a,b,d,c,f){var e=new java.util.Hashtable;e.put("#",""+(b.index+1));e.put("VALUE", -Float.$valueOf(c));e.put("UNITS",f);d=JM.LabelToken.compile(a,d,"\u0001",e);if(null==d)return"";JM.LabelToken.setValues(d,e);e=b.ms.at;b=b.countPlusIndices;for(c=b[0];1<=c;--c)0<=b[c]&&JM.LabelToken.formatLabelAtomArray(a,e[b[c]],d,String.fromCharCode(48+c),null,null);d=JM.LabelToken.getLabel(d);return null==d?"":d},"JV.Viewer,JM.Measurement,~S,~N,~S");c$.setValues=c(c$,"setValues",function(a,b){for(var d=0;d=c)return d.text="%",h;var k;"-"==b.charAt(h)&&(d.alignLeft=!0,++h);hs?""+-s+"-":"";break;case 1094717454:h=b.getModelNumberForLabel();break;case 1128269825:h=""+b.atomPropertyInt(d.tok);break;case 1665140738:k=b.atomPropertyFloat(a,d.tok,e);break;case 1086324749:h=b.group.getStructureId();break;case 1094713367:var t=b.group.getStrucNo(),h=0>=t?"":""+t;break;case 1111490574:if(Float.isNaN(k=b.group.getGroupParameter(1111490574)))h= +2147483647;var j=!1;if(hr?""+-r+"-":"";break;case 1094717454:h=b.getModelNumberForLabel();break;case 1128269825:h=""+b.atomPropertyInt(d.tok);break;case 1665140738:k=b.atomPropertyFloat(a,d.tok,e);break;case 1086324749:h=b.group.getStructureId();break;case 1094713367:var s=b.group.getStrucNo(),h=0>=s?"":""+s;break;case 1111490574:if(Float.isNaN(k=b.group.getGroupParameter(1111490574)))h= "null";break;case 1111492626:case 1111492627:case 1111492628:case 1111490583:case 1111490584:case 1111490585:case 1111490586:k=b.atomPropertyFloat(a,d.tok,e);Float.isNaN(k)&&(h="");break;case 1073877011:h=a.getNBOAtomLabel(b);break;case 1086324747:case 1639976963:case 1237320707:h=b.atomPropertyString(a,d.tok);break;case 1140850705:h=b.getIdentityXYZ(!1,e);break;case 79:h=b.getSymmetryOperatorList(!1);break;case 81:k=b.getOccupancy100()/100;break;default:switch(d.tok&1136656384){case 1094713344:d.intAsFloat? -k=b.atomPropertyInt(d.tok):h=""+b.atomPropertyInt(d.tok);break;case 1111490560:k=b.atomPropertyFloat(a,d.tok,e);break;case 1086324736:h=b.atomPropertyString(a,d.tok);break;case 1077936128:j=b.atomPropertyTuple(a,d.tok,e),null==j&&(h="")}}}catch(u){if(E(u,IndexOutOfBoundsException))k=NaN,j=h=null;else throw u;}h=d.format(k,h,j);null==c?d.text=h:c.append(h)},"JV.Viewer,JM.Atom,JM.LabelToken,JU.SB,~A,JU.P3");c(c$,"format",function(a,b,d){return Float.isNaN(a)?null!=b?JU.PT.formatS(b,this.width,this.precision, -this.alignLeft,this.zeroPad):null!=d?(0==this.width&&2147483647==this.precision&&(this.width=6,this.precision=2),JU.PT.formatF(d.x,this.width,this.precision,!1,!1)+JU.PT.formatF(d.y,this.width,this.precision,!1,!1)+JU.PT.formatF(d.z,this.width,this.precision,!1,!1)):this.text:JU.PT.formatF(a,this.width,this.precision,this.alignLeft,this.zeroPad)},"~N,~S,JU.T3");F(c$,"labelTokenParams","AaBbCcDEefGgIiLlMmNnOoPpQqRrSsTtUuVvWXxxYyyZzz%%%gqW","labelTokenIds",A(-1,[1086324739,1086326786,1086326785,1111492620, +k=b.atomPropertyInt(d.tok):h=""+b.atomPropertyInt(d.tok);break;case 1111490560:k=b.atomPropertyFloat(a,d.tok,e);break;case 1086324736:h=b.atomPropertyString(a,d.tok);break;case 1077936128:j=b.atomPropertyTuple(a,d.tok,e),null==j&&(h="")}}}catch(t){if(G(t,IndexOutOfBoundsException))k=NaN,j=h=null;else throw t;}h=d.format(k,h,j);null==c?d.text=h:c.append(h)},"JV.Viewer,JM.Atom,JM.LabelToken,JU.SB,~A,JU.P3");c(c$,"format",function(a,b,d){return Float.isNaN(a)?null!=b?JU.PT.formatS(b,this.width,this.precision, +this.alignLeft,this.zeroPad):null!=d?(0==this.width&&2147483647==this.precision&&(this.width=6,this.precision=2),JU.PT.formatF(d.x,this.width,this.precision,!1,!1)+JU.PT.formatF(d.y,this.width,this.precision,!1,!1)+JU.PT.formatF(d.z,this.width,this.precision,!1,!1)):this.text:JU.PT.formatF(a,this.width,this.precision,this.alignLeft,this.zeroPad)},"~N,~S,JU.T3");F(c$,"labelTokenParams","AaBbCcDEefGgIiLlMmNnOoPpQqRrSsTtUuVvWXxxYyyZzz%%%gqW","labelTokenIds",z(-1,[1086324739,1086326786,1086326785,1111492620, 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+function(){c$=t(function(){this.ms=this.thisID=null;this.index=0;this.isVisible=!0;this.isTrajectory=this.isHidden=!1;this.$isValid=!0;this.colix=0;this.labelColix=-1;this.mad=0;this.tickInfo=null;this.traceX=-2147483648;this.count=this.traceY=0;this.pts=this.countPlusIndices=null;this.value=0;this.type=this.strMeasurement=this.vwr=this.text=this.units=this.property=this.strFormat=null;this.tainted=!1;this.newUnits=this.renderArc=this.renderAxis=null;this.fixedValue=NaN;this.isPending=!1;n(this,arguments)}, +JM,"Measurement");O(c$,function(){this.countPlusIndices=z(5,0)});c(c$,"isTainted",function(){return this.tainted&&!(this.tainted=!1)});c(c$,"setM",function(a,b,d,c,f,e){this.ms=a;this.index=e;this.vwr=a.vwr;this.colix=c;this.strFormat=f;null!=b&&(this.tickInfo=b.tickInfo,this.pts=b.pts,this.mad=b.mad,this.thisID=b.thisID,this.text=b.text,this.property=b.property,this.units=b.units,null==this.property&&"+hz".equals(this.units)&&(this.property="property_J"),null!=this.thisID&&null!=this.text&&(this.labelColix= this.text.colix));null==this.pts&&(this.pts=Array(4));b=null==b?null:b.countPlusIndices;this.count=null==b?0:b[0];0a?this.pts[-2-a]:this.ms.at[a]},"~N");c(c$,"getLastIndex",function(){return 0a.indexOf("hz")?0:a.equals("noe_hz")?3:a.startsWith("dc_")||a.equals("khz")?1:2},"~S");c(c$,"formatAngle",function(a){var b=this.getLabelString();0<=b.indexOf("%V")&&(a=Math.round(10*a)/10);return this.formatString(a,"\u00b0",b)},"~N");c(c$,"getLabelString",function(){var a= this.countPlusIndices[0]+":",b=null;if(null!=this.strFormat){if(0==this.strFormat.length)return 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\t").append(this.thisID);return a.toString()},"~S");c(c$,"isInRange",function(a,b){if(a.factorType===J.atomdata.RadiusData.EnumType.FACTOR){var d= -this.getAtom(1),c=this.getAtom(2),d=(d.getVanderwaalsRadiusFloat(this.vwr,a.vdwType)+c.getVanderwaalsRadiusFloat(this.vwr,a.vdwType))*a.value;return b<=d}return 3.4028235E38==a.values[0]||b>=a.values[0]&&b<=a.values[1]},"J.atomdata.RadiusData,~N");c(c$,"isIntramolecular",function(a,b){for(var d=-1,c=1;c<=b;c++){var f=this.getAtomIndex(c);if(!(0>f))if(f=a[f].getMoleculeNumber(!1),0>d)d=f;else if(f!=d)return!1}return!0},"~A,~N");c(c$,"isMin",function(a){var b=this.getAtom(1),d=this.getAtom(2),c=B(100* -d.distanceSquared(b)),b=b.getAtomName(),d=d.getAtomName(),d=0>b.compareTo(d)?b+d:d+b;a=a.get(d);return null!=a&&c==a.intValue()},"java.util.Map");c$.isUnits=c(c$,"isUnits",function(a){return JU.PT.isOneOf((a.startsWith("+")?a.substring(1):a).toLowerCase(),";nm;nanometers;pm;picometers;angstroms;angstroms;ang;\u00c5;au;vanderwaals;vdw;%;noe;")||0>a.indexOf(" ")&&a.endsWith("hz")},"~S");F(c$,"NMR_NOT",0,"NMR_DC",1,"NMR_JC",2,"NMR_NOE_OR_J",3)});u("JM");x(["J.api.JmolMeasurementClient"],"JM.MeasurementData", +this.getAtom(1),c=this.getAtom(2),d=(d.getVanderwaalsRadiusFloat(this.vwr,a.vdwType)+c.getVanderwaalsRadiusFloat(this.vwr,a.vdwType))*a.value;return b<=d}return 3.4028235E38==a.values[0]||b>=a.values[0]&&b<=a.values[1]},"J.atomdata.RadiusData,~N");c(c$,"isIntramolecular",function(a,b){for(var d=-1,c=1;c<=b;c++){var f=this.getAtomIndex(c);if(!(0>f))if(f=a[f].getMoleculeNumber(!1),0>d)d=f;else if(f!=d)return!1}return!0},"~A,~N");c(c$,"isMin",function(a){var b=this.getAtom(1),d=this.getAtom(2),c=A(100* +d.distanceSquared(b)),b=b.getAtomName(),d=d.getAtomName(),d=0>b.compareTo(d)?b+d:d+b;a=a.get(d);return null!=a&&c==a.intValue()},"java.util.Map");c$.isUnits=c(c$,"isUnits",function(a){return JU.PT.isOneOf((a.startsWith("+")?a.substring(1):a).toLowerCase(),";nm;nanometers;pm;picometers;angstroms;angstroms;ang;\u00c5;au;vanderwaals;vdw;%;noe;")||0>a.indexOf(" ")&&a.endsWith("hz")},"~S");F(c$,"NMR_NOT",0,"NMR_DC",1,"NMR_JC",2,"NMR_NOE_OR_J",3)});s("JM");u(["J.api.JmolMeasurementClient"],"JM.MeasurementData", ["java.lang.Float","JU.BS","$.Lst","JM.Measurement","JU.BSUtil"],function(){c$=t(function(){this.points=this.measurements=this.measurementStrings=this.client=null;this.mustNotBeConnected=this.mustBeConnected=!1;this.tickInfo=null;this.tokAction=12290;this.note=this.property=this.strFormat=this.radiusData=null;this.isAll=!1;this.colix=0;this.intramolecular=null;this.mad=0;this.units=this.text=this.thisID=null;this.fixedValue=0;this.ms=this.minArray=this.atoms=null;this.allowSelf=!1;this.vwr=null;this.iFirstAtom= -0;this.justOneModel=!0;this.htMin=null;s(this,arguments)},JM,"MeasurementData",null,J.api.JmolMeasurementClient);n(c$,function(){});c(c$,"init",function(a,b,d){this.vwr=b;this.points=d;this.thisID=a;return this},"~S,JV.Viewer,JU.Lst");c(c$,"setModelSet",function(a){this.ms=a;return this},"JM.ModelSet");c(c$,"set",function(a,b,d,c,f,e,h,k,j,r,m,q,n,w,s){this.ms=this.vwr.ms;this.tokAction=a;2<=this.points.size()&&(p(this.points.get(0),JU.BS)&&p(this.points.get(1),JU.BS))&&(this.justOneModel=JU.BSUtil.haveCommon(this.vwr.ms.getModelBS(this.points.get(0), -!1),this.vwr.ms.getModelBS(this.points.get(1),!1)));this.htMin=b;this.radiusData=d;this.property=c;this.strFormat=f;this.units=e;this.tickInfo=h;this.mustBeConnected=k;this.mustNotBeConnected=j;this.intramolecular=r;this.isAll=m;this.mad=q;this.colix=n;this.text=w;this.fixedValue=s;return this},"~N,java.util.Map,J.atomdata.RadiusData,~S,~S,~S,JM.TickInfo,~B,~B,Boolean,~B,~N,~N,JM.Text,~N");c(c$,"processNextMeasure",function(a){var 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this},"~N,java.util.Map,J.atomdata.RadiusData,~S,~S,~S,JM.TickInfo,~B,~B,Boolean,~B,~N,~N,JM.Text,~N");c(c$,"processNextMeasure",function(a){var b=a.getMeasurement(null);if(!(null!=this.htMin&&!a.isMin(this.htMin)|| null!=this.radiusData&&!a.isInRange(this.radiusData,b)))if(null==this.measurementStrings&&null==this.measurements){var d=this.minArray[this.iFirstAtom];a.value=b;b=a.fixValue(this.units,!1);this.minArray[this.iFirstAtom]=-Infinity==1/d?b:Math.min(d,b)}else null!=this.measurementStrings?this.measurementStrings.addLast(a.getStringUsing(this.vwr,this.strFormat,this.units)):this.measurements.addLast(Float.$valueOf(a.getMeasurement(null)))},"JM.Measurement");c(c$,"getMeasurements",function(a,b){if(b){this.minArray= -I(this.points.get(0).cardinality(),0);for(var d=0;dd)){var c=-1,f=Array(4),e=A(5,0),h=(new JM.Measurement).setPoints(b, -e,f,null);h.setCount(d);h.property=this.property;h.strFormat=this.strFormat;h.units=this.units;h.fixedValue=this.fixedValue;for(var k=-1,j=0;jb)(this.allowSelf&&!this.mustBeConnected&&!this.mustNotBeConnected||d.isValid())&& -((!this.mustBeConnected||d.isConnected(this.atoms,a))&&(!this.mustNotBeConnected||!d.isConnected(this.atoms,a))&&(null==this.intramolecular||d.isIntramolecular(this.atoms,a)==this.intramolecular.booleanValue()))&&this.client.processNextMeasure(d);else{var f=this.points.get(a),e=d.countPlusIndices,h=0==a?2147483647:e[a];if(0>h)this.nextMeasure(a+1,b,d,c);else{for(var k=!1,j=f.nextSetBit(0),r=0;0<=j;j=f.nextSetBit(j+1),r++)if(j!=h||this.allowSelf){var m=this.atoms[j].mi;if(0<=c&&this.justOneModel)if(0== -a)c=m;else if(c!=m)continue;e[a+1]=j;0==a&&(this.iFirstAtom=r);k=!0;this.nextMeasure(a+1,b,d,c)}k||this.nextMeasure(a+1,b,d,c)}}},"~N,~N,JM.Measurement,~N")});u("JM");x(["JM.Measurement"],"JM.MeasurementPending",null,function(){c$=t(function(){this.haveModified=this.haveTarget=!1;this.numSet=0;this.lastIndex=-1;s(this,arguments)},JM,"MeasurementPending",JM.Measurement);c(c$,"set",function(a){return this.setM(a,null,NaN,0,null,0)},"JM.ModelSet");c(c$,"checkPoint",function(a){for(var b=1;b<=this.numSet;b++)if(this.countPlusIndices[b]== +H(this.points.get(0).cardinality(),0);for(var d=0;dd)){var c=-1,f=Array(4),e=z(5,0),h=(new JM.Measurement).setPoints(b, +e,f,null);h.setCount(d);h.property=this.property;h.strFormat=this.strFormat;h.units=this.units;h.fixedValue=this.fixedValue;for(var k=-1,j=0;jb)(this.allowSelf&&!this.mustBeConnected&&!this.mustNotBeConnected||d.isValid())&& 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b=1;b<=this.numSet;b++)if(this.countPlusIndices[b]== -1-b&&0.01>this.pts[b-1].distance(a))return!1;return!0},"JU.Point3fi");c(c$,"getIndexOf",function(a){for(var b=1;b<=this.numSet;b++)if(this.countPlusIndices[b]==a)return b;return 0},"~N");j(c$,"setCount",function(a){this.setCountM(a);this.numSet=a},"~N");c(c$,"addPoint",function(a,b,d){this.haveModified=a!=this.lastIndex;this.lastIndex=a;if(null==b){if(0this.groupCount){this.groupCount=0;for(var a=this.chainCount;0<=--a;)this.groupCount+=this.chains[a].groupCount}return this.groupCount});c(c$,"getChainAt",function(a){return aa&&this.dataSourceFrame--;this.trajectoryBaseIndex>a&&this.trajectoryBaseIndex--;this.firstAtomIndex-=b;for(a=0;a=this.group3Of.length?null:this.group3Of[a]},"~N");c(c$,"getFirstAtomIndex", -function(a){return this.firstAtomIndexes[a]},"~N");c(c$,"getAtomCount",function(){return this.ms.ac});c(c$,"createModelSet",function(a,b,d){var 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this.firstAtomIndexes[a]},"~N");c(c$,"getAtomCount",function(){return this.ms.ac});c(c$,"createModelSet",function(a,b,d){var c=null==a?0:a.getAtomCount(b);0this.baseModelIndex||this.baseModelIndex>=this.baseModelCount)this.baseModelIndex=this.baseModelCount-1;this.ms.mc=this.baseModelCount}this.ms.ac=this.baseAtomIndex=this.modelSet0.ac;this.ms.bondCount=this.modelSet0.bondCount;this.$mergeGroups= +this.modelSet0.getGroups();this.groupCount=this.baseGroupIndex=this.$mergeGroups.length;this.ms.mergeModelArrays(this.modelSet0);this.ms.growAtomArrays(this.ms.ac+a)}else this.ms.mc=this.adapterModelCount,this.ms.ac=0,this.ms.bondCount=0,this.ms.at=Array(a),this.ms.bo=Array(250+a);this.doAddHydrogens&&this.jbr.initializeHydrogenAddition();1e.indexOf("Viewer.AddHydrogens")||!d.isModelKit){h=JU.PT.split(f,"\n");k=new JU.SB;for(f=0;fj||j!=d.loadState.lastIndexOf(h[f]))&&k.append(h[f]).appendC("\n");d.loadState+=d.loadScript.toString()+k.toString(); -d.loadScript=new JU.SB;0<=e.indexOf("load append ")&&e.append("; set appendNew true");d.loadScript.append(" ").appendSB(e).append(";\n")}if(this.isTrajectory){f=this.ms.mc-c+1;JU.Logger.info(f+" trajectory steps read");this.ms.setInfo(this.baseModelCount,"trajectoryStepCount",Integer.$valueOf(f));d=this.adapterModelCount;for(f=c;fe[0])for(k=0;ke[a]&&(j+=1E6);for(k=a;k=this.group3Of.length;)this.chainOf=JU.AU.doubleLength(this.chainOf),this.group3Of=JU.AU.doubleLengthS(this.group3Of),this.seqcodes=JU.AU.doubleLengthI(this.seqcodes),this.firstAtomIndexes= -JU.AU.doubleLengthI(this.firstAtomIndexes);this.firstAtomIndexes[this.groupCount]=this.ms.ac;this.chainOf[this.groupCount]=this.currentChain;this.group3Of[this.groupCount]=d;this.seqcodes[this.groupCount]=JM.Group.getSeqcodeFor(c,f);++this.groupCount}},"J.api.JmolAdapter,~N,~S,~N,~S,~B,~B");c(c$,"getOrAllocateChain",function(a,b){var d=a.getChain(b);if(null!=d)return d;a.chainCount==a.chains.length&&(a.chains=JU.AU.doubleLength(a.chains));return a.chains[a.chainCount++]=new JM.Chain(a,b,0==b||32== -b?0:++this.iChain)},"JM.Model,~N");c(c$,"iterateOverAllNewBonds",function(a,b){var d=a.getBondIterator(b);if(null!=d){var c=this.vwr.getMadBond();this.ms.defaultCovalentMad=null==this.jmolData?c:0;for(var f=!1;d.hasNext();){var e=d.getEncodedOrder(),h=e,k=this.bondAtoms(d.getAtomUniqueID1(),d.getAtomUniqueID2(),h);null!=k&&(1=c&&this.ms.bsSymmetry.set(b)}if(this.appendNew&&this.ms.someModelsHaveFractionalCoordinates){for(var a=this.ms.at,d=-1,c=null,f=!1,e=!this.vwr.g.legacyJavaFloat,b=this.baseAtomIndex;bm&&(m=this.ms.bondCount);if(f||c&&(0==m||q&&null==this.jmolData&&(this.ms.getMSInfoB("havePDBHeaderName")||m"):c=h.isProtein()?"p>":h.isNucleic()?"n>":h.isCarbohydrate()?"c>":"o>";null!=d&&(this.countGroup(this.ms.at[f].mi,c,d),h.isNucleic()&& -(d=null==this.htGroup1?null:this.htGroup1.get(d),null!=d&&(h.group1=d.charAt(0))));this.addGroup(b,h);this.groups[a]=h;h.groupIndex=a;for(a=e+1;--a>=f;)this.ms.at[a].group=h},"~N,JM.Chain,~S,~N,~N,~N");c(c$,"addGroup",function(a,b){a.groupCount==a.groups.length&&(a.groups=JU.AU.doubleLength(a.groups));a.groups[a.groupCount++]=b},"JM.Chain,JM.Group");c(c$,"countGroup",function(a,b,d){var c=a+1;if(!(null==this.group3Lists||null==this.group3Lists[c])){var f=(d+" ").substring(0,3),e=this.group3Lists[c].indexOf(f); -0>e&&(this.group3Lists[c]+=",["+f+"]",e=this.group3Lists[c].indexOf(f),this.group3Counts[c]=JU.AU.arrayCopyI(this.group3Counts[c],this.group3Counts[c].length+10));this.group3Counts[c][y(e/6)]++;e=this.group3Lists[c].indexOf(",["+f);0<=e&&(this.group3Lists[c]=this.group3Lists[c].substring(0,e)+b+this.group3Lists[c].substring(e+2));0<=a&&this.countGroup(-1,b,d)}},"~N,~S,~S");c(c$,"freeze",function(){this.htAtomMap.clear();this.ms.ac=JU.Elements.elementNumberMax&&(b=JU.Elements.elementNumberMax+JU.Elements.altElementIndexFromNumber(b));this.ms.elementsPresent[this.ms.at[a].mi].set(b)}});c(c$,"applyStereochemistry", -function(){this.set2dZ(this.baseAtomIndex,this.ms.ac);if(null!=this.vStereo){var a=new JU.BS;a.setBits(this.baseAtomIndex,this.ms.ac);for(var b=this.vStereo.size();0<=--b;){var d=this.vStereo.get(b),c=1025==d.order?3:-3;d.order=1;d.atom2.z!=d.atom1.z&&0>c==d.atom2.za)return c;var k=new JU.BS;k.or(d);0<=b&&k.clear(b);JM.ModelLoader.setBranch2dZ(this.ms.at[a],c,k,f,e,h);return c},"~N,~N,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3"); -c$.setBranch2dZ=c(c$,"setBranch2dZ",function(a,b,d,c,f,e){var h=a.i;if(d.get(h)&&(d.clear(h),b.set(h),null!=a.bonds))for(h=a.bonds.length;0<=--h;){var k=a.bonds[h];k.isHydrogen()||(k=k.getOtherAtom(a),JM.ModelLoader.setAtom2dZ(a,k,c,f,e),JM.ModelLoader.setBranch2dZ(k,b,d,c,f,e))}},"JM.Atom,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3");c$.setAtom2dZ=c(c$,"setAtom2dZ",function(a,b,d,c,f){d.sub2(b,a);d.z=0;d.normalize();f.cross(c,d);d=Math.acos(d.dot(c));b.z=a.z+0.8*Math.sin(4*d)},"JM.Atom,JM.Atom,JU.V3,JU.V3,JU.V3"); -c(c$,"finalizeShapes",function(){this.ms.sm=this.vwr.shm;this.ms.sm.setModelSet(this.ms);this.ms.setBsHidden(this.vwr.slm.getHiddenSet());this.merging||this.ms.sm.resetShapes();this.ms.sm.loadDefaultShapes(this.ms);this.ms.someModelsHaveAromaticBonds&&this.vwr.getBoolean(603979944)&&this.ms.assignAromaticBondsBs(!1,null);this.merging&&1==this.baseModelCount&&this.ms.sm.setShapePropertyBs(6,"clearModelIndex",null,null)});c(c$,"undeleteAtom",function(a){this.ms.at[a].valence=0},"~N");c$.createAtomDataSet= -c(c$,"createAtomDataSet",function(a,b,d,c,f){if(null==c)return null;var e=a.getModelAdapter(),h=new JU.P3,k=b.at,j=a.getFloat(570425363);if(null!=b.unitCells)for(var r=f.nextSetBit(0);0<=r;r=f.nextSetBit(r+1))if(null!=k[r].atomSymmetry){j=-j;break}for(var r=-1,m=0,q=JU.BSUtil.cardinalityOf(f)==a.ms.ac,p=e.getAtomIterator(c);p.hasNext();){var w=p.getXYZ();if(!Float.isNaN(w.x+w.y+w.z))if(1145047050==d){r=f.nextSetBit(r+1);if(0>r)break;m++;JU.Logger.debugging&&JU.Logger.debug("atomIndex = "+r+": "+k[r]+ -" --\x3e ("+w.x+","+w.y+","+w.z);b.setAtomCoord(r,w.x,w.y,w.z)}else{h.setT(w);w=JU.BS.newN(b.ac);b.getAtomsWithin(j,h,w,-1);w.and(f);if(q)if(m=JU.BSUtil.cardinalityOf(w),0==m){JU.Logger.warn("createAtomDataSet: no atom found at position "+h);continue}else 1e.indexOf("Viewer.AddHydrogens")||!d.isModelKit){h=JU.PT.split(f,"\n");k=new JU.SB;for(f=0;fj||j!=d.loadState.lastIndexOf(h[f]))&&k.append(h[f]).appendC("\n");d.loadState+= +d.loadScript.toString()+k.toString();d.loadScript=new JU.SB;if(0<=e.indexOf("load append ")||0<=e.indexOf('data "append '))e.insert(0,";var anew = appendNew;"),e.append(";set appendNew anew");d.loadScript.append(" ").appendSB(e).append(";\n")}if(this.isTrajectory){f=this.ms.mc-c+1;JU.Logger.info(f+" trajectory steps read");this.ms.setInfo(this.baseModelCount,"trajectoryStepCount",Integer.$valueOf(f));d=this.adapterModelCount;for(f=c;fe[0])for(k=0;ke[a]&&(j+=1E6);for(k=a;kd&&(d=f[e].mi,k[d].firstAtomIndex=e,j=this.ms.getDefaultVdwType(d),j!==c&&(JU.Logger.info("Default Van der Waals type for model set to "+j.getVdwLabel()),c=j));JU.Logger.info(h+" atoms created")},"J.api.JmolAdapter,~O");c(c$,"addJmolDataProperties",function(a,b){if(null!=b)for(var d=a.bsAtoms,c=d.cardinality(),f,e=b.entrySet().iterator();e.hasNext()&&((f=e.next())||1);){var h=f.getKey(),k=f.getValue();if(k.length!=c)break;var j=h.startsWith("property_")? +1715472409:JS.T.getTokFromName(h);switch(j){default:if(JS.T.tokAttr(j,2048)){this.vwr.setAtomProperty(d,j,0,0,null,k,null);break}case 1111492629:case 1111492630:case 1111492631:h="property_"+h;case 1715472409:this.vwr.setData(h,w(-1,[h,k,d,Integer.$valueOf(1)]),0,0,0,0,0)}}},"JM.Model,java.util.Map");c(c$,"getPdbCharge",function(a,b){return a.equals("ARG")&&b.equals("NH1")||a.equals("LYS")&&b.equals("NZ")||a.equals("HIS")&&b.equals("ND1")?1:0},"~S,~S");c(c$,"addAtom",function(a,b,d,c,f,e,h,k,j,x, +m,p,n,v,q,r,s,t,u,w){var y=0,z=null;if(null!=e){var A;if(0<=(A=e.indexOf("\x00")))z=e.substring(A+1),e=e.substring(0,A);a&&(0<=e.indexOf("*")&&(e=e.$replace("*","'")),y=this.vwr.getJBR().lookupSpecialAtomID(e),2==y&&"CA".equalsIgnoreCase(r)&&(y=0))}a=this.ms.addAtom(this.iModel,this.nullGroup,f,e,z,v,q,d,p,u,s,h,k,x,m,j,n,y,b,w);a.altloc=t;this.htAtomMap.put(c,a)},"~B,JU.BS,~N,~O,~N,~S,~N,~N,JU.Lst,~N,~N,JU.P3,~B,~N,~N,~S,JU.V3,~S,~N,~N");c(c$,"checkNewGroup",function(a,b,d,c,f,e,h){var k=null==d? +null:d.intern();b!=this.currentChainID&&(this.currentChainID=b,this.currentChain=this.getOrAllocateChain(this.model,b),this.currentGroupInsertionCode="\uffff",this.currentGroupSequenceNumber=-1,this.currentGroup3="xxxx",this.isNewChain=!0);if(c!=this.currentGroupSequenceNumber||f!=this.currentGroupInsertionCode||k!==this.currentGroup3){0=this.group3Of.length;)this.chainOf=JU.AU.doubleLength(this.chainOf),this.group3Of=JU.AU.doubleLengthS(this.group3Of),this.seqcodes=JU.AU.doubleLengthI(this.seqcodes),this.firstAtomIndexes=JU.AU.doubleLengthI(this.firstAtomIndexes);this.firstAtomIndexes[this.groupCount]=this.ms.ac;this.chainOf[this.groupCount]=this.currentChain;this.group3Of[this.groupCount]=d;this.seqcodes[this.groupCount]=JM.Group.getSeqcodeFor(c,f);++this.groupCount}}, +"J.api.JmolAdapter,~N,~S,~N,~S,~B,~B");c(c$,"getOrAllocateChain",function(a,b){var d=a.getChain(b);if(null!=d)return d;a.chainCount==a.chains.length&&(a.chains=JU.AU.doubleLength(a.chains));return a.chains[a.chainCount++]=new JM.Chain(a,b,0==b||32==b?0:++this.iChain)},"JM.Model,~N");c(c$,"iterateOverAllNewBonds",function(a,b){var d=a.getBondIterator(b);if(null!=d){var c=this.vwr.getMadBond();this.ms.defaultCovalentMad=null==this.jmolData?c:0;for(var f=!1;d.hasNext();){var e=d.getEncodedOrder(),h= +e,k=this.bondAtoms(d.getAtomUniqueID1(),d.getAtomUniqueID2(),h);null!=k&&(1=c&&this.ms.bsSymmetry.set(b)}if(this.appendNew&&this.ms.someModelsHaveFractionalCoordinates){for(var a=this.ms.at,d=-1,c=null,f=!1,e=!this.vwr.g.legacyJavaFloat,b=this.baseAtomIndex;bm&&(m=this.ms.bondCount);if(h||e&&(0==m||p&&null==this.jmolData&&(this.ms.getMSInfoB("havePDBHeaderName")||m"):c=h.isProtein()?"p>":h.isNucleic()?"n>":h.isCarbohydrate()?"c>":"o>";null!=d&&(this.countGroup(this.ms.at[f].mi,c,d),h.isNucleic()&&(d=null==this.htGroup1?null:this.htGroup1.get(d),null!=d&&(h.group1=d.charAt(0))));this.addGroup(b, +h);this.groups[a]=h;h.groupIndex=a;for(a=e+1;--a>=f;)this.ms.at[a].group=h},"~N,JM.Chain,~S,~N,~N,~N");c(c$,"addGroup",function(a,b){a.groupCount==a.groups.length&&(a.groups=JU.AU.doubleLength(a.groups));a.groups[a.groupCount++]=b},"JM.Chain,JM.Group");c(c$,"countGroup",function(a,b,d){var c=a+1;if(!(null==this.group3Lists||null==this.group3Lists[c])){var f=(d+" ").substring(0,3),e=this.group3Lists[c].indexOf(f);0>e&&(this.group3Lists[c]+=",["+f+"]",e=this.group3Lists[c].indexOf(f),this.group3Counts[c]= +JU.AU.arrayCopyI(this.group3Counts[c],this.group3Counts[c].length+10));this.group3Counts[c][y(e/6)]++;e=this.group3Lists[c].indexOf(",["+f);0<=e&&(this.group3Lists[c]=this.group3Lists[c].substring(0,e)+b+this.group3Lists[c].substring(e+2));0<=a&&this.countGroup(-1,b,d)}},"~N,~S,~S");c(c$,"freeze",function(){this.htAtomMap.clear();this.ms.ac=JU.Elements.elementNumberMax&&(d=JU.Elements.elementNumberMax+JU.Elements.altElementIndexFromNumber(d));this.ms.elementsPresent[b.mi].set(d)}}});c(c$,"applyStereochemistry",function(){this.set2DLengths(this.baseAtomIndex, +this.ms.ac);var a=new JU.V3;if(null!=this.vStereo){var b=this.vStereo.size();a:for(;0<=--b;)for(var d=this.vStereo.get(b),c=d.atom1,f=c.bonds,e=c.getBondCount();0<=--e;){var h=f[e];if(h!==d&&(h=h.getOtherAtom(c),a.sub2(h,c),0.1>Math.abs(a.x))){1025==d.order==0>a.y&&(this.stereodir=-1);break a}}}this.set2dZ(this.baseAtomIndex,this.ms.ac,a);if(null!=this.vStereo){a=new JU.BS;a.setBits(this.baseAtomIndex,this.ms.ac);for(b=this.vStereo.size();0<=--b;){d=this.vStereo.get(b);c=1025==d.order?3:-3;d.order= +1;d.atom2.z!=d.atom1.z&&0>c==d.atom2.zf&&(d+=j.distance(e),c++)}}if(0!=c){d=1.45/(d/c);for(f=a;fa)return c;var j=new JU.BS;j.or(d);0<=b&&j.clear(b);JM.ModelLoader.setBranch2dZ(this.ms.at[a], +c,j,f,e,h,k);return c},"~N,~N,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3,~N");c$.setBranch2dZ=c(c$,"setBranch2dZ",function(a,b,d,c,f,e,h){var k=a.i;if(d.get(k)&&(d.clear(k),b.set(k),null!=a.bonds))for(k=a.bonds.length;0<=--k;){var j=a.bonds[k];j.isHydrogen()||(j=j.getOtherAtom(a),JM.ModelLoader.setAtom2dZ(a,j,c,f,e,h),JM.ModelLoader.setBranch2dZ(j,b,d,c,f,e,h))}},"JM.Atom,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3,~N");c$.setAtom2dZ=c(c$,"setAtom2dZ",function(a,b,d,c,f,e){d.sub2(b,a);d.z=0;d.normalize();f.cross(c,d);d=Math.acos(d.dot(c)); +e=0.4*-e*Math.sin(4*d);b.z=a.z+e},"JM.Atom,JM.Atom,JU.V3,JU.V3,JU.V3,~N");c(c$,"finalizeShapes",function(){this.ms.sm=this.vwr.shm;this.ms.sm.setModelSet(this.ms);this.ms.setBsHidden(this.vwr.slm.getHiddenSet());this.merging||this.ms.sm.resetShapes();this.ms.sm.loadDefaultShapes(this.ms);this.ms.someModelsHaveAromaticBonds&&this.vwr.getBoolean(603979944)&&this.ms.assignAromaticBondsBs(!1,null);this.merging&&1==this.baseModelCount&&this.ms.sm.setShapePropertyBs(6,"clearModelIndex",null,null)});c(c$, +"undeleteAtom",function(a){this.ms.at[a].valence=0},"~N");c$.createAtomDataSet=c(c$,"createAtomDataSet",function(a,b,d,c,f){if(null==c)return null;var e=a.getModelAdapter(),h=new JU.P3,k=b.at,j=a.getFloat(570425363);if(null!=b.unitCells)for(var x=f.nextSetBit(0);0<=x;x=f.nextSetBit(x+1))if(null!=k[x].atomSymmetry){j=-j;break}for(var x=-1,m=0,p=JU.BSUtil.cardinalityOf(f)==a.ms.ac,n=e.getAtomIterator(c);n.hasNext();){var v=n.getXYZ();if(!Float.isNaN(v.x+v.y+v.z))if(1145047050==d){x=f.nextSetBit(x+1); +if(0>x)break;m++;JU.Logger.debugging&&JU.Logger.debug("atomIndex = "+x+": "+k[x]+" --\x3e ("+v.x+","+v.y+","+v.z);b.setAtomCoord(x,v.x,v.y,v.z)}else{h.setT(v);v=JU.BS.newN(b.ac);b.getAtomsWithin(j,h,v,-1);v.and(f);if(p)if(m=JU.BSUtil.cardinalityOf(v),0==m){JU.Logger.warn("createAtomDataSet: no atom found at position "+h);continue}else 1a&&this.modelNumbers[b]==1E6+a)return b;return-1}if(1E6>a)return a;for(b=0;b=this.translations.length?null:this.translations[a]},"~N");c(c$,"translateModel",function(a,b){if(null==b){var d=this.getTranslation(a);null!=d&&(b=JU.P3.newP(d),b.scale(-1),this.translateModel(a,b),this.translations[a]=null)}else{if(null==this.translations||this.translations.length<=a)this.translations=Array(this.mc);null==this.translations[a]&&(this.translations[a]=new JU.P3);this.translations[a].add(b);for(var d=this.am[a].bsAtoms,c=d.nextSetBit(0);0<=c;c=d.nextSetBit(c+1))this.at[c].add(b)}}, "~N,JU.T3");c(c$,"getFrameOffsets",function(a,b){if(null==a){if(b)for(var d=this.mc;0<=--d;){var c=this.am[d];!c.isJmolDataFrame&&!c.isTrajectory&&this.translateModel(c.modelIndex,null)}return null}if(0>a.nextSetBit(0))return null;if(b){for(var f=JU.BSUtil.copy(a),e=null,h=new JU.P3,d=0;dc&&0c&&0t&&0<=h&&(t=this.at[h].mi),0>t&&(t=this.vwr.getVisibleFramesBitSet().nextSetBit(0),a=null),q=this.vwr.getModelUndeletedAtomsBitSet(t),n=null!=a&&q.cardinality()!=a.cardinality(),null!=a&&q.and(a),h=q.nextSetBit(0),0>h&&(q=this.vwr.getModelUndeletedAtomsBitSet(t),h=q.nextSetBit(0)), -w=this.vwr.shm.getShapePropertyIndex(18,"mad",h),p=null!=w&&0!=w.intValue()||this.vwr.tm.vibrationOn,w=null!=c&&0<=c.toUpperCase().indexOf(":POLY")){r=v(-1,[Integer.$valueOf(h),null]);this.vwr.shm.getShapePropertyData(21,"points",r);h=r[1];if(null==h)return null;q=null;p=!1;r=null}else h=this.at;null!=c&&0<=c.indexOf(":")&&(c=c.substring(0,c.indexOf(":")));r=m.setPointGroup(r,k,h,q,p,s?0:this.vwr.getFloat(570425382),this.vwr.getFloat(570425384),n);!w&&!s&&(this.pointGroup=r);if(!b&&!d)return r.getPointGroupName(); -b=r.getPointGroupInfo(t,j,d,c,f,e);return d?b:(1m||0>q||m>h||q>h))if(m=r[m]-1,q=r[q]-1,!(0>m||0>q)){var p=this.at[m],w=this.at[q];null!=d&&(p.isHetero()&&d.set(m),w.isHetero()&&d.set(q));if(p.altloc==w.altloc||"\x00"==p.altloc||"\x00"==w.altloc)this.getOrAddBond(p,w,k,2048==k?1:c,null,0,!1)}}}}},"~N,~N,JU.BS");c(c$,"deleteAllBonds",function(){this.moleculeCount=0;for(var a=this.stateScripts.size();0<= ---a;)this.stateScripts.get(a).isConnect()&&this.stateScripts.removeItemAt(a);this.deleteAllBonds2()});c(c$,"includeAllRelatedFrames",function(a){for(var b=0,d=0;dd;)f[q].fixIndices(e,j,r);this.vwr.shm.deleteShapeAtoms(v(-1,[c,this.at,A(-1,[e,m,j])]),r);this.mc--}}else e++;this.haveBioModels=!1;for(d=this.mc;0<=--d;)this.am[d].isBioModel&&(this.haveBioModels=!0,this.bioModelset.set(this.vwr,this));this.validateBspf(!1); -this.bsAll=null;this.resetMolecules();this.isBbcageDefault=!1;this.calcBoundBoxDimensions(null,1);return b},"JU.BS");c(c$,"resetMolecules",function(){this.molecules=null;this.moleculeCount=0;this.resetChirality()});c(c$,"resetChirality",function(){if(this.haveChirality)for(var a=-1,b=this.ac;0<=--b;){var d=this.at[b];d.setCIPChirality(0);d.mi!=a&&(this.am[a=d.mi].hasChirality=!1)}});c(c$,"deleteModel",function(a,b,d,c,f){if(!(0>a)){this.modelNumbers=JU.AU.deleteElements(this.modelNumbers,a,1);this.modelFileNumbers= -JU.AU.deleteElements(this.modelFileNumbers,a,1);this.modelNumbersForAtomLabel=JU.AU.deleteElements(this.modelNumbersForAtomLabel,a,1);this.modelNames=JU.AU.deleteElements(this.modelNames,a,1);this.frameTitles=JU.AU.deleteElements(this.frameTitles,a,1);this.thisStateModel=-1;var e=this.getInfoM("group3Lists"),h=this.getInfoM("group3Counts"),k=a+1;if(null!=e&&null!=e[k])for(var j=y(e[k].length/6);0<=--j;)0c&&(c=0),d=y(Math.floor(2E3*c))):k=new J.atomdata.RadiusData(e,0,null,null);this.sm.setShapeSizeBs(JV.JC.shapeTokenIndex(b),d,k,a);return}this.setAPm(a,b,d,c,f,e,h)},"JU.BS,~N,~N,~N,~S,~A,~A");c(c$,"getFileData",function(a){if(0>a)return"";var b=this.getInfo(a,"fileData");if(null!= -b)return b;if(!this.getInfoB(a,"isCIF"))return this.getPDBHeader(a);b=this.vwr.getCifData(a);this.setInfo(a,"fileData",b);return b},"~N");c(c$,"addHydrogens",function(a,b){var d=this.mc-1,c=new JU.BS;if(this.isTrajectory(d)||1a||a>=this.mc?null:null!=this.am[a].simpleCage?this.am[a].simpleCage:null!=this.unitCells&&athis.mc?"":0<=a?this.modelNames[a]:this.modelNumbersForAtomLabel[-1-a]},"~N");c(c$,"getModelTitle",function(a){return this.getInfo(a,"title")},"~N");c(c$,"getModelFileName",function(a){return this.getInfo(a,"fileName")},"~N"); -c(c$,"getModelFileType",function(a){return this.getInfo(a,"fileType")},"~N");c(c$,"setFrameTitle",function(a,b){if(p(b,String))for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))this.frameTitles[d]=b;else for(var d=a.nextSetBit(0),c=0;0<=d;d=a.nextSetBit(d+1))cd&&(d=a);return 0==d?10:d},"~N,JU.P3,~B");c(c$,"calcBoundBoxDimensions",function(a,b){null!=a&&0>a.nextSetBit(0)&& -(a=null);if(!(null==a&&this.isBbcageDefault||0==this.ac)){if(null==this.getDefaultBoundBox())this.bboxModels=this.getModelBS(this.bboxAtoms=JU.BSUtil.copy(a),!1),this.calcAtomsMinMax(a,this.boxInfo)==this.ac&&(this.isBbcageDefault=!0),null==a&&null!=this.unitCells&&this.calcUnitCellMinMax();else{var d=this.defaultBBox.getBoundBoxVertices();this.boxInfo.reset();for(var c=0;8>c;c++)this.boxInfo.addBoundBoxPoint(d[c])}this.boxInfo.setBbcage(b)}},"JU.BS,~N");c(c$,"getDefaultBoundBox",function(){var a= -this.getInfoM("boundbox");null==a?this.defaultBBox=null:(null==this.defaultBBox&&(this.defaultBBox=new JU.BoxInfo),this.defaultBBox.setBoundBoxFromOABC(a));return this.defaultBBox});c(c$,"getBoxInfo",function(a,b){if(null==a)return this.boxInfo;var d=new JU.BoxInfo;this.calcAtomsMinMax(a,d);d.setBbcage(b);return d},"JU.BS,~N");c(c$,"calcAtomsMinMax",function(a,b){b.reset();for(var d=0,c=null==a,f=c?this.ac-1:a.nextSetBit(0);0<=f;f=c?f-1:a.nextSetBit(f+1))d++,this.isJmolDataFrameForAtom(this.at[f])|| -b.addBoundBoxPoint(this.at[f]);return d},"JU.BS,JU.BoxInfo");c(c$,"calcUnitCellMinMax",function(){for(var a=new JU.P3,b=0;bf;f++)a.add2(c,d[f]),this.boxInfo.addBoundBoxPoint(a)});c(c$,"calcRotationRadiusBs",function(a){for(var b=this.getAtomSetCenter(a),d=0,c=a.nextSetBit(0);0<=c;c=a.nextSetBit(c+1)){var f=this.at[c],f=b.distance(f)+ -this.getRadiusVdwJmol(f);f>d&&(d=f)}return 0==d?10:d},"JU.BS");c(c$,"getCenterAndPoints",function(a,b){for(var d,c,f=b?1:0,e=a.size();0<=--e;){var h=a.get(e);d=h[0];p(h[1],JU.BS)?(c=h[1],f+=Math.min(d.cardinality(),c.cardinality())):f+=Math.min(d.cardinality(),h[1].length)}var k=v(2,f,null);b&&(k[0][0]=new JU.P3,k[1][0]=new JU.P3);for(e=a.size();0<=--e;)if(h=a.get(e),d=h[0],p(h[1],JU.BS)){c=h[1];for(var h=d.nextSetBit(0),j=c.nextSetBit(0);0<=h&&0<=j;h=d.nextSetBit(h+1),j=c.nextSetBit(j+1))k[0][--f]= -this.at[h],k[1][f]=this.at[j],b&&(k[0][0].add(this.at[h]),k[1][0].add(this.at[j]))}else{c=h[1];h=d.nextSetBit(0);for(j=0;0<=h&&jk?"all #"+k:this.getModelNumberDotted(k))+";\n "+a),this.thisStateModel= -k):this.thisStateModel=-1;a=new JM.StateScript(this.thisStateModel,a,b,d,c,f,h);a.isValid()&&this.stateScripts.addLast(a);return a},"~S,JU.BS,JU.BS,JU.BS,~S,~B,~B");c(c$,"freezeModels",function(){this.haveBioModels=!1;for(var a=this.mc;0<=--a;)this.haveBioModels=(new Boolean(this.haveBioModels|this.am[a].freeze())).valueOf()});c(c$,"getStructureList",function(){return this.vwr.getStructureList()});c(c$,"getInfoM",function(a){return null==this.msInfo?null:this.msInfo.get(a)},"~S");c(c$,"getMSInfoB", -function(a){a=this.getInfoM(a);return p(a,Boolean)&&a.booleanValue()},"~S");c(c$,"isTrajectory",function(a){return this.am[a].isTrajectory},"~N");c(c$,"isTrajectorySubFrame",function(a){return this.am[a].trajectoryBaseIndex!=a},"~N");c(c$,"isTrajectoryMeasurement",function(a){return null!=this.trajectory&&this.trajectory.hasMeasure(a)},"~A");c(c$,"getModelBS",function(a,b){var d=new JU.BS,c=0,f=null==a;b=(new Boolean(b&null!=this.trajectory)).valueOf();for(c=f?0:a.nextSetBit(0);0<=c&&ca.modelIndex?null==a.bsSelected?0:Math.max(0,a.bsSelected.nextSetBit(0)):this.am[a.modelIndex].firstAtomIndex,a.lastModelIndex=a.firstModelIndex=0==this.ac?0:this.at[a.firstAtomIndex].mi,a.modelName=this.getModelNumberDotted(a.firstModelIndex), -this.fillADa(a,b))},"J.atomdata.AtomData,~N");c(c$,"getModelNumberDotted",function(a){return 1>this.mc||a>=this.mc||0>a?"":JU.Escape.escapeModelFileNumber(this.modelFileNumbers[a])},"~N");c(c$,"getModelNumber",function(a){return this.modelNumbers[2147483647==a?this.mc-1:a]},"~N");c(c$,"getModelProperty",function(a,b){var d=this.am[a].properties;return null==d?null:d.getProperty(b)},"~N,~S");c(c$,"getModelAuxiliaryInfo",function(a){return 0>a?null:this.am[a].auxiliaryInfo},"~N");c(c$,"setInfo",function(a, -b,d){0<=a&&aa?null:this.am[a].auxiliaryInfo.get(b)},"~N,~S");c(c$,"getInfoB",function(a,b){var d=this.am[a].auxiliaryInfo;return null!=d&&d.containsKey(b)&&d.get(b).booleanValue()},"~N,~S");c(c$,"getInfoI",function(a,b){var d=this.am[a].auxiliaryInfo;return null!=d&&d.containsKey(b)?d.get(b).intValue():-2147483648},"~N,~S");c(c$,"getInsertionCountInModel",function(a){return this.am[a].insertionCount},"~N"); -c$.modelFileNumberFromFloat=c(c$,"modelFileNumberFromFloat",function(a){var b=y(Math.floor(a));for(a=y(Math.floor(1E4*(a-b+1E-5)));0!=a&&0==a%10;)a/=10;return 1E6*b+a},"~N");c(c$,"getChainCountInModelWater",function(a,b){if(0>a){for(var d=0,c=this.mc;0<=--c;)d+=this.am[c].getChainCount(b);return d}return this.am[a].getChainCount(b)},"~N,~B");c(c$,"getGroupCountInModel",function(a){if(0>a){a=0;for(var b=this.mc;0<=--b;)a+=this.am[b].getGroupCount();return a}return this.am[a].getGroupCount()},"~N"); -c(c$,"calcSelectedGroupsCount",function(){for(var a=this.vwr.bsA(),b=this.mc;0<=--b;)this.am[b].calcSelectedGroupsCount(a)});c(c$,"isJmolDataFrameForModel",function(a){return 0<=a&&aa.indexOf("deriv")&&(a=a.substring(0,a.indexOf(" ")),c.dataFrames.put(a,Integer.$valueOf(d)))},"~S,~N,~N");c(c$,"getJmolDataFrameIndex",function(a,b){if(null==this.am[a].dataFrames)return-1;var d=this.am[a].dataFrames.get(b);return null==d?-1:d.intValue()},"~N,~S");c(c$,"clearDataFrameReference",function(a){for(var b=0;ba)return"";if(this.am[a].isBioModel)return this.getPDBHeader(a);a=this.getInfo(a,"fileHeader");null==a&&(a=this.modelSetName);return null!=a?a:"no header information found"},"~N");c(c$,"getAltLocCountInModel",function(a){return this.am[a].altLocCount},"~N");c(c$,"getAltLocIndexInModel",function(a,b){if("\x00"==b)return 0;var d=this.getAltLocListInModel(a);return 0==d.length?0:d.indexOf(b)+1},"~N,~S"); -c(c$,"getInsertionCodeIndexInModel",function(a,b){if("\x00"==b)return 0;var d=this.getInsertionListInModel(a);return 0==d.length?0:d.indexOf(b)+1},"~N,~S");c(c$,"getAltLocListInModel",function(a){a=this.getInfo(a,"altLocs");return null==a?"":a},"~N");c(c$,"getInsertionListInModel",function(a){a=this.getInfo(a,"insertionCodes");return null==a?"":a},"~N");c(c$,"getModelSymmetryCount",function(a){return 0a||this.isTrajectory(a)||a>=this.mc-1?this.ac:this.am[a+1].firstAtomIndex,f=0>=a?0:this.am[a].firstAtomIndex;--c>=f;)if((0>a||this.at[c].mi==a)&&((1275072532==b||0==b)&&null!=(d=this.getModulation(c))||(4166==b||0==b)&&null!=(d=this.getVibration(c, -!1)))&&d.isNonzero())return c;return-1},"~N,~N");c(c$,"getModulationList",function(a,b,d){var c=new JU.Lst;if(null!=this.vibrations)for(var f=a.nextSetBit(0);0<=f;f=a.nextSetBit(f+1))p(this.vibrations[f],J.api.JmolModulationSet)?c.addLast(this.vibrations[f].getModulation(b,d)):c.addLast(Float.$valueOf("O"==b?NaN:-1));return c},"JU.BS,~S,JU.P3");c(c$,"getElementsPresentBitSet",function(a){if(0<=a)return this.elementsPresent[a];a=new JU.BS;for(var b=0;ba)return null;var b=this.getInfo(a,"dipole");null==b&&(b=this.getInfo(a,"DIPOLE_VEC"));return b},"~N");c(c$,"calculateMolecularDipole",function(a,b){if(null!=b){var d=b.nextSetBit(0);if(0>d)return null;a=this.at[d].mi}if(0>a)return null;var c=d=0,f=0,e= -0,h=new JU.V3,k=new JU.V3;null==b&&(b=this.getModelAtomBitSetIncludingDeleted(-1,!1));this.vwr.getOrCalcPartialCharges(this.am[a].bsAtoms,null);for(var j=b.nextSetBit(0);0<=j;j=b.nextSetBit(j+1))if(!(this.at[j].mi!=a||this.at[j].isDeleted())){var r=this.partialCharges[j];0>r?(c++,e+=r,k.scaleAdd2(r,this.at[j],k)):0a)return this.moleculeCount;for(var d=0;dd)return null;d=this.getUnitCell(this.at[d].mi);return null==d?null:d.notInCentroid(this,a,b)},"JU.BS,~A");c(c$,"getMolecules",function(){if(0b?a.setCenter(d,c):(this.initializeBspt(b),a.setModel(this,b,this.am[b].firstAtomIndex,2147483647,d,c,null))},"J.api.AtomIndexIterator,~N,JU.T3,~N");c(c$,"setIteratorForAtom",function(a,b,d,c,f){0>b&&(b=this.at[d].mi);b=this.am[b].trajectoryBaseIndex;this.initializeBspt(b);a.setModel(this,b,this.am[b].firstAtomIndex,d,this.at[d],c,f)},"J.api.AtomIndexIterator,~N,~N,~N,J.atomdata.RadiusData"); -c(c$,"getSelectedAtomIterator",function(a,b,d,c,f){this.initializeBspf();if(f){f=this.getModelBS(a,!1);for(var e=f.nextSetBit(0);0<=e;e=f.nextSetBit(e+1))this.initializeBspt(e);f=new JM.AtomIteratorWithinModelSet(f)}else f=new JM.AtomIteratorWithinModel;f.initialize(this.bspf,a,b,d,c,this.vwr.isParallel());return f},"JU.BS,~B,~B,~B,~B");j(c$,"getBondCountInModel",function(a){return 0>a?this.bondCount:this.am[a].getBondCount()},"~N");c(c$,"getAtomCountInModel",function(a){return 0>a?this.ac:this.am[a].act}, -"~N");c(c$,"getModelAtomBitSetIncludingDeletedBs",function(a){var b=new JU.BS;null==a&&null==this.bsAll&&(this.bsAll=JU.BSUtil.setAll(this.ac));if(null==a)b.or(this.bsAll);else for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))b.or(this.getModelAtomBitSetIncludingDeleted(d,!1));return b},"JU.BS");c(c$,"getModelAtomBitSetIncludingDeleted",function(a,b){var d=0>a?this.bsAll:this.am[a].bsAtoms;null==d&&(d=this.bsAll=JU.BSUtil.setAll(this.ac));return b?JU.BSUtil.copy(d):d},"~N,~B");c(c$,"getAtomBitsMaybeDeleted", -function(a,b){var d,c;switch(a){default:return this.getAtomBitsMDa(a,b,new JU.BS);case 1073741925:case 1073742189:case 1111490587:case 1073742128:case 1073741863:case 1086324744:return c=new JU.BS,this.haveBioModels?this.bioModelset.getAtomBitsStr(a,b,c):c;case 1677721602:case 1073742331:return this.getAtomBitsMDb(a,b);case 1678381065:var f=this.getBoxInfo(b,1);c=this.getAtomsWithin(f.getBoundBoxCornerVector().length()+1E-4,f.getBoundBoxCenter(),null,-1);for(d=c.nextSetBit(0);0<=d;d=c.nextSetBit(d+ -1))f.isWithin(this.at[d])||c.clear(d);return c;case 1094713349:c=new JU.BS;d=b;this.ptTemp1.set(d[0]/1E3,d[1]/1E3,d[2]/1E3);for(d=this.ac;0<=--d;)this.isInLatticeCell(d,this.ptTemp1,this.ptTemp2,!1)&&c.set(d);return c;case 1094713350:c=JU.BSUtil.newBitSet2(0,this.ac);d=b;f=A(-1,[y(d[0]/1E3)-1,y(d[1]/1E3)-1,y(d[2]/1E3)-1,y(d[0]/1E3),y(d[1]/1E3),y(d[2]/1E3),0]);for(d=this.mc;0<=--d;){var e=this.getUnitCell(d);null==e?JU.BSUtil.andNot(c,this.am[d].bsAtoms):c.andNot(e.notInCentroid(this,this.am[d].bsAtoms, -f))}return c;case 1094713360:return this.getMoleculeBitSet(b);case 1073742363:return this.getSelectCodeRange(b);case 2097196:c=JU.BS.newN(this.ac);f=-1;e=0;for(d=this.ac;0<=--d;){var h=this.at[d],k=h.atomSymmetry;if(null!=k){if(h.mi!=f){f=h.mi;if(null==this.getModelCellRange(f))continue;e=this.getModelSymmetryCount(f)}for(var h=0,j=e;0<=--j;)if(k.get(j)&&1<++h){c.set(d);break}}}return c;case 1088421903:return JU.BSUtil.copy(null==this.bsSymmetry?this.bsSymmetry=JU.BS.newN(this.ac):this.bsSymmetry); -case 1814695966:c=new JU.BS;if(null==this.vwr.getCurrentUnitCell())return c;this.ptTemp1.set(1,1,1);for(d=this.ac;0<=--d;)this.isInLatticeCell(d,this.ptTemp1,this.ptTemp2,!1)&&c.set(d);return c}},"~N,~O");c(c$,"getSelectCodeRange",function(a){var b=new JU.BS,d=a[0],c=a[1];a=a[2];var f=this.vwr.getBoolean(603979822);0<=a&&(300>a&&!f)&&(a=this.chainToUpper(a));for(var e=this.mc;0<=--e;)if(this.am[e].isBioModel)for(var h=this.am[e],k,j=h.chainCount;0<=--j;){var r=h.chains[j];if(-1==a||a==(k=r.chainID)|| -!f&&0k&&a==this.chainToUpper(k))for(var m=r.groups,r=r.groupCount,q=0;0<=q;)q=JM.ModelSet.selectSeqcodeRange(m,r,q,d,c,b)}return b},"~A");c$.selectSeqcodeRange=c(c$,"selectSeqcodeRange",function(a,b,d,c,f,e){var h,k,j,r=!1;for(k=d;kc&&h-ca?this.getAtomsWithin(a,this.at[j].getFractionalUnitCoordPt(d,!0,k),f,-1):(this.setIteratorForAtom(h,r,j,a,c),h.addAtoms(f)))}else{f.or(b);for(j=b.nextSetBit(0);0<=j;j=b.nextSetBit(j+1))0>a?this.getAtomsWithin(a,this.at[j],f,this.at[j].mi):(this.setIteratorForAtom(h,-1,j,a,c),h.addAtoms(f))}h.release();return f},"~N,JU.BS,~B,J.atomdata.RadiusData");c(c$, -"getAtomsWithin",function(a,b,d,c){null==d&&(d=new JU.BS);if(0>a){a=-a;for(var f=this.ac;0<=--f;){var e=this.at[f];0<=c&&this.at[f].mi!=c||!d.get(f)&&e.getFractionalUnitDistance(b,this.ptTemp1,this.ptTemp2)<=a&&d.set(e.i)}return d}c=this.getIterativeModels(!0);f=this.getSelectedAtomIterator(null,!1,!1,!1,!1);for(e=this.mc;0<=--e;)c.get(e)&&!this.am[e].bsAtoms.isEmpty()&&(this.setIteratorForAtom(f,-1,this.am[e].firstAtomIndex,-1,null),f.setCenter(b,a),f.addAtoms(d));f.release();return d},"~N,JU.T3,JU.BS,~N"); -c(c$,"deleteBonds",function(a,b){if(!b)for(var d=new JU.BS,c=new JU.BS,f=a.nextSetBit(0);0<=f;f=a.nextSetBit(f+1)){var e=this.bo[f].atom1;this.am[e.mi].isModelKit||(d.clearAll(),c.clearAll(),d.set(e.i),c.set(this.bo[f].getAtomIndex2()),this.addStateScript("connect ",null,d,c,"delete",!1,!0))}this.dBb(a,b)},"JU.BS,~B");c(c$,"makeConnections2",function(a,b,d,c,f,e,h,k,j,r){null==h&&(h=new JU.BS);var m=65535==d,q=131071==d,p=65537==d;q&&(d=1);var w=JU.Edge.isOrderH(d),n=!1,s=!1,t=!1,u=!1;switch(c){case 12291:return this.deleteConnections(a, -b,d,f,e,k,q);case 603979872:case 1073741852:if(515!=d){if(k){a=f;f=new JU.BS;e=new JU.BS;for(var v=a.nextSetBit(0);0<=v;v=a.nextSetBit(v+1))f.set(this.bo[v].atom1.i),e.set(this.bo[v].atom2.i)}return A(-1,[w?this.autoHbond(f,e,!1):this.autoBondBs4(f,e,null,h,this.vwr.getMadBond(),603979872==c),0])}s=u=!0;break;case 1086324745:n=s=!0;break;case 1073742025:s=!0;break;case 1073741904:t=!0}c=!n||m;m=!n&&!m;this.defaultCovalentMad=this.vwr.getMadBond();var q=0>a,x=0>b,y=q||x,B=!k||0.1!=a||1E8!=b;B&&(a= -this.fixD(a,q),b=this.fixD(b,x));var C=this.getDefaultMadFromOrder(d),D=0,F=0,H=null,I=null,L=null,M="\x00",N=d|131072,O=0!=(d&512);try{for(v=f.nextSetBit(0);0<=v;v=f.nextSetBit(v+1)){if(k)H=this.bo[v],I=H.atom1,L=H.atom2;else{I=this.at[v];if(I.isDeleted())continue;M=this.isModulated(v)?"\x00":I.altloc}for(var P=k?0:e.nextSetBit(0);0<=P;P=e.nextSetBit(P+1)){if(k)P=2147483646;else{if(P==v)continue;L=this.at[P];if(I.mi!=L.mi||L.isDeleted())continue;if("\x00"!=M&&M!=L.altloc&&"\x00"!=L.altloc)continue; -H=I.getBond(L)}if(!(null==H?s:t)&&!(B&&!this.isInRange(I,L,a,b,q,x,y)||O&&!this.allowAromaticBond(H)))if(null==H)h.set(this.bondAtoms(I,L,d,C,h,r,j,!0).index),D++;else if(m&&(H.setOrder(d),p&&H.setAtropisomerOptions(f,e),this.bsAromatic.clear(H.index)),c||d==H.order||N==H.order||w&&H.isHydrogen())h.set(H.index),F++}}}catch(Q){if(!E(Q,Exception))throw Q;}u&&this.assignAromaticBondsBs(!0,h);n||this.sm.setShapeSizeBs(1,-2147483648,null,h);return A(-1,[D,F])},"~N,~N,~N,~N,JU.BS,JU.BS,JU.BS,~B,~B,~N"); -c(c$,"autoBondBs4",function(a,b,d,c,f,e){if(e)return this.autoBond_Pre_11_9_24(a,b,d,c,f);if(0==this.ac)return 0;0==f&&(f=1);1.4E-45==this.maxBondingRadius&&this.findMaxRadii();e=this.vwr.getFloat(570425348);var h=this.vwr.getFloat(570425364),h=h*h,k=0;this.showRebondTimes&&JU.Logger.startTimer("autobond");var j=-1,r=null==a,m,q;r?(q=0,m=null):(a.equals(b)?m=a:(m=JU.BSUtil.copy(a),m.or(b)),q=m.nextSetBit(0));for(var p=this.getSelectedAtomIterator(null,!1,!1,!0,!1),w=!1;0<=q&&qthis.occupancies[q]!=50>this.occupancies[y])||(y=this.isBondable(u,x.getBondingRadius(),p.foundDistance2(),h,e)?1:0,0e&&0>h||0JM.ModelSet.hbondMaxReal&&(h=JM.ModelSet.hbondMaxReal),k=1):k=JM.ModelSet.hbondMinRasmol*JM.ModelSet.hbondMinRasmol;var j=h*h,r=3.141592653589793*this.vwr.getFloat(570425360)/180,m=0,q=0,p=new JU.V3,w=new JU.V3;this.showRebondTimes&&JU.Logger.debugging&&JU.Logger.startTimer("hbond");var n=null,s=null;b=this.getSelectedAtomIterator(b,!1,!1,!1,!1);for(f=a.nextSetBit(0);0<=f;f=a.nextSetBit(f+1)){var t=this.at[f],u=t.getElementNumber(),v=1==u;if(!(v?!d:d||7!=u&&8!=u)){if(v){var u=!1,x=t.bonds; -if(null==x)continue;for(var y=!1,A=0;!y&&Aj||u&&e.get(x.i)||t.isBonded(x))){if(0\n');if(null!=this.modelSetProperties){for(var b=this.modelSetProperties.propertyNames();b.hasMoreElements();){var d=b.nextElement();a.append('\n ');a.append("\n");return a.toString()});c(c$,"getSymmetryInfoAsString",function(){for(var a=(new JU.SB).append("Symmetry Information:"),b=0;b=this.at.length&&this.growAtomArrays(this.ac+100);this.at[this.ac]=k;this.setBFactor(this.ac,s,!1);this.setOccupancy(this.ac, -n,!1);this.setPartialCharge(this.ac,p,!1);null!=t&&this.setAtomTensors(this.ac,t);k.group=b;k.colixAtom=this.vwr.cm.getColixAtomPalette(k,J.c.PAL.CPK.id);null!=c&&(null!=f&&(null==this.atomTypes&&(this.atomTypes=Array(this.at.length)),this.atomTypes[this.ac]=f),k.atomID=v,0==v&&(null==this.atomNames&&(this.atomNames=Array(this.at.length)),this.atomNames[this.ac]=c.intern()));-2147483648!=e&&(null==this.atomSerials&&(this.atomSerials=A(this.at.length,0)),this.atomSerials[this.ac]=e);0!=h&&(null==this.atomSeqIDs&& -(this.atomSeqIDs=A(this.at.length,0)),this.atomSeqIDs[this.ac]=h);null!=m&&this.setVibrationVector(this.ac,m);this.ac++;return k},"~N,JM.Group,~N,~S,~S,~N,~N,~N,JU.P3,~N,JU.V3,~N,~N,~N,~N,JU.Lst,~B,~N,JU.BS");c(c$,"getInlineData",function(a){var b=null;if(0<=a)b=this.am[a].loadScript;else for(a=this.mc;0<=--a&&!(0<(b=this.am[a].loadScript).length()););a=b.lastIndexOf('data "');if(0>a)return b=JU.PT.getQuotedStringAt(b.toString(),0),JS.ScriptCompiler.unescapeString(b,0,b.length);a=b.indexOf2('"',a+ -7);var d=b.lastIndexOf('end "');return da?null:b.substring2(a+2,d)},"~N");c(c$,"isAtomPDB",function(a){return 0<=a&&this.am[this.at[a].mi].isBioModel},"~N");c(c$,"isAtomInLastModel",function(a){return 0<=a&&this.at[a].mi==this.mc-1},"~N");c(c$,"haveModelKit",function(){for(var a=0;ab&&(a=this.am[this.at[a].mi].firstAtomIndex);null==this.atomSerials&&(this.atomSerials=A(this.ac,0));null==this.atomNames&&(this.atomNames=Array(this.ac));for(var c=this.isXYZ&&this.vwr.getBoolean(603979978),f=2147483647,e=1;a=-b){if(0==this.atomSerials[a]||0>b)this.atomSerials[a]=ab)this.atomNames[a]=(h.getElementSymbol()+ -this.atomSerials[a]).intern()}(!this.am[f].isModelKit||0c.length)){var f=B(c[0]),e=0>f;e&&(f=-1-f);var h=B(c[1]);if(!(0>h||f>=this.ac||h>=this.ac)){var k=2k&&(k&= -65535);var j=3k;)if(c=this.at[a[k]],f=this.at[a[j]],c.isBonded(f))for(var r=d;0<=--r;)if(r!=k&&r!=j&&(e=this.at[a[r]]).isBonded(c))for(var m=d;0<=--m;)if(m!=k&&m!=j&&m!=r&&(h=this.at[a[m]]).isBonded(f)){var q=A(4,0);q[0]=e.i;q[1]=c.i;q[2]=f.i;q[3]=h.i;b.addLast(q)}d=b.size();a=JU.AU.newInt2(d);for(k=d;0<=--k;)a[d-k-1]=b.get(k);return a},"~A");c(c$,"setModulation",function(a,b,d,c){if(null==this.bsModulated)if(b)this.bsModulated=new JU.BS;else if(null==a)return;null==a&&(a=this.getModelAtomBitSetIncludingDeleted(-1, -!1));for(var f=this.vwr.getFloat(1275072532),e=!1,h=a.nextSetBit(0);0<=h;h=a.nextSetBit(h+1)){var k=this.getModulation(h);null!=k&&(k.setModTQ(this.at[h],b,d,c,f),null!=this.bsModulated&&this.bsModulated.setBitTo(h,b),e=!0)}e||(this.bsModulated=null)},"JU.BS,~B,JU.P3,~B");c(c$,"getBoundBoxOrientation",function(a,b){var d=0,c=0,f=0,e=null,h=null,k=b.nextSetBit(0),j=0;if(0<=k){c=null==this.vOrientations?0:this.vOrientations.length;if(0==c){e=Array(3375);c=0;j=new JU.P4;for(d=-7;7>=d;d++)for(f=-7;7>= -f;f++)for(var r=0;14>=r;r++,c++)1<(e[c]=JU.V3.new3(d/7,f/7,r/14)).length()&&--c;this.vOrientations=Array(c);for(d=c;0<=--d;)r=Math.sqrt(1-e[d].lengthSquared()),Float.isNaN(r)&&(r=0),j.set4(e[d].x,e[d].y,e[d].z,r),this.vOrientations[d]=JU.Quat.newP4(j)}var r=new JU.P3,j=3.4028235E38,m=null,q=new JU.BoxInfo;q.setMargin(1312817669==a?0:0.1);for(d=0;dd;d++)h.transform2(k[d],k[d]),0d&&(r.set(0,1,0),e=JU.Quat.newVA(r,90).mulQ(e),h=d,d=f,f=h),r.set(1,0,0),e=JU.Quat.newVA(r,90).mulQ(e),h=c,c=f,f=h)}}return 1312817669==a?j+"\t{"+d+" "+c+" "+f+"}\t"+b:1814695966==a?null:null==e||0==e.getTheta()?new JU.Quat:e},"~N,JU.BS");c(c$,"getUnitCellForAtom",function(a){if(0>a||a>this.ac)return null;if(null!=this.bsModulated){var b= -this.getModulation(a),b=null==b?null:b.getSubSystemUnitCell();if(null!=b)return b}return this.getUnitCell(this.at[a].mi)},"~N");c(c$,"clearCache",function(){for(var a=this.mc;0<=--a;)this.am[a].resetDSSR(!1)});c(c$,"getSymMatrices",function(a){var b=this.getModelSymmetryCount(a);if(0==b)return null;var d=Array(b),c=this.am[a].biosymmetry;null==c&&(c=this.getUnitCell(a));for(a=b;0<=--a;)d[a]=c.getSpaceGroupOperation(a);return d},"~N");c(c$,"getBsBranches",function(a){for(var b=y(a.length/6),d=Array(b), -c=new java.util.Hashtable,f=0,e=0;fMath.abs(a[e+5]-a[e+4]))){var h=B(a[e+1]),k=B(a[e+2]),j=""+h+"_"+k;if(!c.containsKey(j)){c.put(j,Boolean.TRUE);for(var j=this.vwr.getBranchBitSet(k,h,!0),r=this.at[h].bonds,h=this.at[h],m=0;mk.nextSetBit(0)))if(b>=h.altLocCount)0==b&&f.or(k);else if(!this.am[e].isBioModel||!this.am[e].getConformation(b,d,k,f)){for(var j=this.getAltLocCountInModel(e),h=this.getAltLocListInModel(e),r=new JU.BS;0<=--j;)j!=b&&k.andNot(this.getAtomBitsMDa(1073742355,h.substring(j,j+1),r));0<=k.nextSetBit(0)&& -f.or(k)}}return f},"~N,~N,~B,JU.BS");c(c$,"getSequenceBits",function(a,b,d){return this.haveBioModels?this.bioModelset.getAllSequenceBits(a,b,d):d},"~S,JU.BS,JU.BS");c(c$,"getBioPolymerCountInModel",function(a){return this.haveBioModels?this.bioModelset.getBioPolymerCountInModel(a):0},"~N");c(c$,"getPolymerPointsAndVectors",function(a,b,d,c){this.haveBioModels&&this.bioModelset.getAllPolymerPointsAndVectors(a,b,d,c)},"JU.BS,JU.Lst,~B,~N");c(c$,"recalculateLeadMidpointsAndWingVectors",function(a){this.haveBioModels&& -this.bioModelset.recalculatePoints(a)},"~N");c(c$,"calcRasmolHydrogenBonds",function(a,b,d,c,f,e,h){this.haveBioModels&&this.bioModelset.calcAllRasmolHydrogenBonds(a,b,d,c,f,e,h,2)},"JU.BS,JU.BS,JU.Lst,~B,~N,~B,JU.BS");c(c$,"calculateStraightnessAll",function(){this.haveBioModels&&!this.haveStraightness&&this.bioModelset.calculateStraightnessAll()});c(c$,"calculateStruts",function(a,b){return this.haveBioModels?this.bioModelset.calculateStruts(a,b):0},"JU.BS,JU.BS");c(c$,"getGroupsWithin",function(a, -b){return this.haveBioModels?this.bioModelset.getGroupsWithinAll(a,b):new JU.BS},"~N,JU.BS");c(c$,"getProteinStructureState",function(a,b){return this.haveBioModels?this.bioModelset.getFullProteinStructureState(a,b):""},"JU.BS,~N");c(c$,"calculateStructures",function(a,b,d,c,f,e){return this.haveBioModels?this.bioModelset.calculateAllStuctures(a,b,d,c,f,e):""},"JU.BS,~B,~B,~B,~B,~N");c(c$,"calculateStructuresAllExcept",function(a,b,d,c,f,e,h){this.freezeModels();return this.haveBioModels?this.bioModelset.calculateAllStructuresExcept(a, -b,d,c,f,e,h):""},"JU.BS,~B,~B,~B,~B,~B,~N");c(c$,"recalculatePolymers",function(a){this.bioModelset.recalculateAllPolymers(a,this.getGroups())},"JU.BS");c(c$,"calculatePolymers",function(a,b,d,c){null!=this.bioModelset&&this.bioModelset.calculateAllPolymers(a,b,d,c)},"~A,~N,~N,JU.BS");c(c$,"calcSelectedMonomersCount",function(){this.haveBioModels&&this.bioModelset.calcSelectedMonomersCount()});c(c$,"setProteinType",function(a,b){this.haveBioModels&&this.bioModelset.setAllProteinType(a,b)},"JU.BS,J.c.STR"); -c(c$,"setStructureList",function(a){this.haveBioModels&&this.bioModelset.setAllStructureList(a)},"java.util.Map");c(c$,"setConformation",function(a){this.haveBioModels&&this.bioModelset.setAllConformation(a);return a},"JU.BS");c(c$,"getHeteroList",function(a){a=this.haveBioModels?this.bioModelset.getAllHeteroList(a):null;return null==a?this.getInfoM("hetNames"):a},"~N");c(c$,"getUnitCellPointsWithin",function(a,b,d,c){var f=new JU.Lst,e=null,h=null;c&&(e=new java.util.Hashtable,h=new JU.Lst,e.put("atoms", -h),e.put("points",f));var k=null==b?-1:b.nextSetBit(0);b=this.vwr.getModelUndeletedAtomsBitSet(0>k?this.vwr.am.cmi:this.at[k].mi);0>k&&(k=b.nextSetBit(0));if(0<=k){var j=this.getUnitCellForAtom(k);if(null!=j){b=j.getIterator(this.vwr,this.at[k],this.at,b,a);for(null!=d&&b.setCenter(d,a);b.hasNext();)k=b.next(),d=b.getPosition(),f.addLast(d),c&&h.addLast(Integer.$valueOf(k))}}return c?e:f},"~N,JU.BS,JU.P3,~B");c(c$,"calculateDssrProperty",function(a){if(null!=a){if(null==this.dssrData||this.dssrData.length< -this.ac)this.dssrData=I(this.ac,0);for(var b=0;bthis.modelIndex)return!0;JU.BSUtil.deleteBits(this.bsBonds,b);JU.BSUtil.deleteBits(this.bsAtoms1,d);JU.BSUtil.deleteBits(this.bsAtoms2,d);return this.isValid()},"~N,JU.BS,JU.BS");c(c$,"setModelIndex",function(a){this.modelIndex=a},"~N")});u("JM");N(JM, -"Structure");u("JM");c$=t(function(){this.id="";this.type=" ";this.scale=this.tickLabelFormats=this.ticks=null;this.first=0;this.signFactor=1;this.reference=null;s(this,arguments)},JM,"TickInfo");n(c$,function(a){this.ticks=a},"JU.P3");u("JU");x(["JU.P3","$.V3"],"JU.BoxInfo",["JU.Point3fi"],function(){c$=t(function(){this.bbVertices=this.bbVector=this.bbCenter=this.bbCorner1=this.bbCorner0=null;this.isScaleSet=!1;this.margin=0;s(this,arguments)},JU,"BoxInfo");O(c$,function(){this.bbCorner0=new JU.P3; -this.bbCorner1=new JU.P3;this.bbCenter=new JU.P3;this.bbVector=new JU.V3;this.bbVertices=Array(8);for(var a=0;8>a;a++)JU.BoxInfo.unitBboxPoints[a]=JU.P3.new3(-1,-1,-1),JU.BoxInfo.unitBboxPoints[a].scaleAdd2(2,JU.BoxInfo.unitCubePoints[a],JU.BoxInfo.unitBboxPoints[a])});n(c$,function(){for(var a=8;0<=--a;)this.bbVertices[a]=new JU.Point3fi;this.reset()});c(c$,"reset",function(){this.isScaleSet=!1;this.bbCorner0.set(3.4028235E38,3.4028235E38,3.4028235E38);this.bbCorner1.set(-3.4028235E38,-3.4028235E38, --3.4028235E38)});c$.scaleBox=c(c$,"scaleBox",function(a,b){if(!(0==b||1==b)){for(var d=new JU.P3,c=new JU.V3,f=0;8>f;f++)d.add(a[f]);d.scale(0.125);for(f=0;8>f;f++)c.sub2(a[f],d),c.scale(b),a[f].add2(d,c)}},"~A,~N");c$.getVerticesFromOABC=c(c$,"getVerticesFromOABC",function(a){for(var b=Array(8),d=0;7>=d;d++)b[d]=JU.P3.newP(a[0]),4==(d&4)&&b[d].add(a[1]),2==(d&2)&&b[d].add(a[2]),1==(d&1)&&b[d].add(a[3]);return b},"~A");c$.getCanonicalCopy=c(c$,"getCanonicalCopy",function(a,b){for(var d=Array(8),c= -0;8>c;c++)d[JU.BoxInfo.toCanonical[c]]=JU.P3.newP(a[c]);JU.BoxInfo.scaleBox(d,b);return d},"~A,~N");c$.toOABC=c(c$,"toOABC",function(a,b){var d=JU.P3.newP(a[0]),c=JU.P3.newP(a[4]),f=JU.P3.newP(a[2]),e=JU.P3.newP(a[1]);c.sub(d);f.sub(d);e.sub(d);null!=b&&d.add(b);return v(-1,[d,c,f,e])},"~A,JU.T3");c(c$,"getBoundBoxCenter",function(){this.isScaleSet||this.setBbcage(1);return this.bbCenter});c(c$,"getBoundBoxCornerVector",function(){this.isScaleSet||this.setBbcage(1);return this.bbVector});c(c$,"getBoundBoxPoints", -function(a){this.isScaleSet||this.setBbcage(1);return a?v(-1,[this.bbCenter,JU.P3.newP(this.bbVector),this.bbCorner0,this.bbCorner1]):v(-1,[this.bbCorner0,this.bbCorner1])},"~B");c(c$,"getBoundBoxVertices",function(){this.isScaleSet||this.setBbcage(1);return this.bbVertices});c(c$,"setBoundBoxFromOABC",function(a){for(var b=JU.P3.newP(a[0]),d=new JU.P3,c=0;4>c;c++)d.add(a[c]);this.setBoundBox(b,d,!0,1)},"~A");c(c$,"setBoundBox",function(a,b,d,c){if(null!=a){if(0==c)return;if(d){if(0==a.distance(b))return; -this.bbCorner0.set(Math.min(a.x,b.x),Math.min(a.y,b.y),Math.min(a.z,b.z));this.bbCorner1.set(Math.max(a.x,b.x),Math.max(a.y,b.y),Math.max(a.z,b.z))}else{if(0==b.x||0==b.y&&0==b.z)return;this.bbCorner0.set(a.x-b.x,a.y-b.y,a.z-b.z);this.bbCorner1.set(a.x+b.x,a.y+b.y,a.z+b.z)}}this.setBbcage(c)},"JU.T3,JU.T3,~B,~N");c(c$,"setMargin",function(a){this.margin=a},"~N");c(c$,"addBoundBoxPoint",function(a){this.isScaleSet=!1;JU.BoxInfo.addPoint(a,this.bbCorner0,this.bbCorner1,this.margin)},"JU.T3");c$.addPoint= -c(c$,"addPoint",function(a,b,d,c){a.x-cd.x&&(d.x=a.x+c);a.y-cd.y&&(d.y=a.y+c);a.z-cd.z&&(d.z=a.z+c)},"JU.T3,JU.T3,JU.T3,~N");c$.addPointXYZ=c(c$,"addPointXYZ",function(a,b,d,c,f,e){a-ef.x&&(f.x=a+e);b-ef.y&&(f.y=b+e);d-ef.z&&(f.z=d+e)},"~N,~N,~N,JU.P3,JU.P3,~N");c(c$,"setBbcage",function(a){this.isScaleSet=!0;this.bbCenter.add2(this.bbCorner0,this.bbCorner1);this.bbCenter.scale(0.5); -this.bbVector.sub2(this.bbCorner1,this.bbCenter);0=this.bbCorner0.x&&a.x<=this.bbCorner1.x&& -a.y>=this.bbCorner0.y&&a.y<=this.bbCorner1.y&&a.z>=this.bbCorner0.z&&a.z<=this.bbCorner1.z},"JU.P3");c(c$,"getMaxDim",function(){return 2*this.bbVector.length()});F(c$,"X",4,"Y",2,"Z",1,"XYZ",7,"bbcageTickEdges",da(-1,"z\x00\x00yx\x00\x00\x00\x00\x00\x00\x00".split("")),"uccageTickEdges",da(-1,"zyx\x00\x00\x00\x00\x00\x00\x00\x00\x00".split("")),"edges",P(-1,[0,1,0,2,0,4,1,3,1,5,2,3,2,6,3,7,4,5,4,6,5,7,6,7]));c$.unitCubePoints=c$.prototype.unitCubePoints=v(-1,[JU.P3.new3(0,0,0),JU.P3.new3(0,0,1), -JU.P3.new3(0,1,0),JU.P3.new3(0,1,1),JU.P3.new3(1,0,0),JU.P3.new3(1,0,1),JU.P3.new3(1,1,0),JU.P3.new3(1,1,1)]);F(c$,"facePoints",v(-1,[A(-1,[4,0,6]),A(-1,[4,6,5]),A(-1,[5,7,1]),A(-1,[1,3,0]),A(-1,[6,2,7]),A(-1,[1,0,5]),A(-1,[0,2,6]),A(-1,[6,7,5]),A(-1,[7,3,1]),A(-1,[3,2,0]),A(-1,[2,3,7]),A(-1,[0,4,5])]),"toCanonical",A(-1,[0,3,4,7,1,2,5,6]));c$.unitBboxPoints=c$.prototype.unitBboxPoints=Array(8)});u("JU");x(["JU.BS"],"JU.BSUtil",null,function(){c$=C(JU,"BSUtil");c$.newAndSetBit=c(c$,"newAndSetBit", -function(a){var b=JU.BS.newN(a+1);b.set(a);return b},"~N");c$.areEqual=c(c$,"areEqual",function(a,b){return null==a||null==b?null==a&&null==b:a.equals(b)},"JU.BS,JU.BS");c$.haveCommon=c(c$,"haveCommon",function(a,b){return null==a||null==b?!1:a.intersects(b)},"JU.BS,JU.BS");c$.cardinalityOf=c(c$,"cardinalityOf",function(a){return null==a?0:a.cardinality()},"JU.BS");c$.newBitSet2=c(c$,"newBitSet2",function(a,b){var d=JU.BS.newN(b);d.setBits(a,b);return d},"~N,~N");c$.setAll=c(c$,"setAll",function(a){var b= -JU.BS.newN(a);b.setBits(0,a);return b},"~N");c$.andNot=c(c$,"andNot",function(a,b){null!=b&&null!=a&&a.andNot(b);return a},"JU.BS,JU.BS");c$.copy=c(c$,"copy",function(a){return null==a?null:a.clone()},"JU.BS");c$.copy2=c(c$,"copy2",function(a,b){if(null==a||null==b)return null;b.clearAll();b.or(a);return b},"JU.BS,JU.BS");c$.copyInvert=c(c$,"copyInvert",function(a,b){return null==a?null:JU.BSUtil.andNot(JU.BSUtil.setAll(b),a)},"JU.BS,~N");c$.invertInPlace=c(c$,"invertInPlace",function(a,b){return JU.BSUtil.copy2(JU.BSUtil.copyInvert(a, +c(c$,"calculatePointGroupForFirstModel",function(a,b,d,c,f,e,h,k,j){var x=this.pointGroup,m=J.api.Interface.getSymmetry(this.vwr,"ms"),p=null,n=!1,v=!1,q=!1,r=null!=h,s=this.vwr.am.cmi;if(!r)if(h=null==a?-1:a.nextSetBit(0),0>s&&0<=h&&(s=this.at[h].mi),0>s&&(s=this.vwr.getVisibleFramesBitSet().nextSetBit(0),a=null),p=this.vwr.getModelUndeletedAtomsBitSet(s),q=null!=a&&p.cardinality()!=a.cardinality(),null!=a&&p.and(a),h=p.nextSetBit(0),0>h&&(p=this.vwr.getModelUndeletedAtomsBitSet(s),h=p.nextSetBit(0)), +v=this.vwr.shm.getShapePropertyIndex(18,"mad",h),n=null!=v&&0!=v.intValue()||this.vwr.tm.vibrationOn,v=null!=c&&0<=c.toUpperCase().indexOf(":POLY")){x=w(-1,[Integer.$valueOf(h),null]);this.vwr.shm.getShapePropertyData(21,"points",x);h=x[1];if(null==h)return null;p=null;n=!1;x=null}else h=this.at;var t;if(null!=c&&0<=(t=c.indexOf(":")))c=c.substring(0,t);if(null!=c&&0<=(t=c.indexOf(".")))f=JU.PT.parseInt(c.substring(t+1)),0>f&&(f=0),c=c.substring(0,t);x=m.setPointGroup(x,k,h,p,n,r?0:this.vwr.getFloat(570425382), +this.vwr.getFloat(570425384),q);!v&&!r&&(this.pointGroup=x);if(!b&&!d)return x.getPointGroupName();b=x.getPointGroupInfo(s,j,d,c,f,e);return d?b:(1m||0>p||m>h||p>h))if(m=x[m]-1,p=x[p]-1,!(0>m||0>p)){var n=this.at[m],v=this.at[p];null!=d&&(n.isHetero()&&d.set(m),v.isHetero()&&d.set(p));if(n.altloc==v.altloc||"\x00"==n.altloc||"\x00"==v.altloc)this.getOrAddBond(n,v,k,2048==k?1:c,null,0,!1)}}}}}, +"~N,~N,JU.BS");c(c$,"deleteAllBonds",function(){this.moleculeCount=0;for(var a=this.stateScripts.size();0<=--a;)this.stateScripts.get(a).isConnect()&&this.stateScripts.removeItemAt(a);this.deleteAllBonds2()});c(c$,"includeAllRelatedFrames",function(a){for(var b=0,d=0;dd;)f[p].fixIndices(e,x,m);this.vwr.shm.deleteShapeAtoms(w(-1,[b,this.at,z(-1,[e,j,x])]),m);this.mc--}}else e++;this.haveBioModels=!1;for(d=this.mc;0<=--d;)this.am[d].isBioModel&&(this.haveBioModels=!0,this.bioModelset.set(this.vwr,this));this.validateBspf(!1);this.bsAll=null;this.resetMolecules();this.isBbcageDefault=!1;this.calcBoundBoxDimensions(null,1);return c},"JU.BS");c(c$,"resetMolecules", +function(){this.molecules=this.bsAll=null;this.moleculeCount=0;this.resetChirality()});c(c$,"resetChirality",function(){if(this.haveChirality)for(var a=-1,b=this.ac;0<=--b;){var d=this.at[b];null!=d&&(d.setCIPChirality(0),d.mi!=a&&d.mia)){this.modelNumbers=JU.AU.deleteElements(this.modelNumbers,a,1);this.modelFileNumbers=JU.AU.deleteElements(this.modelFileNumbers,a,1);this.modelNumbersForAtomLabel=JU.AU.deleteElements(this.modelNumbersForAtomLabel, +a,1);this.modelNames=JU.AU.deleteElements(this.modelNames,a,1);this.frameTitles=JU.AU.deleteElements(this.frameTitles,a,1);this.thisStateModel=-1;var c=this.getInfoM("group3Lists"),f=this.getInfoM("group3Counts"),e=a+1;if(null!=c&&null!=c[e])for(var h=y(c[e].length/6);0<=--h;)0c&&(c=0),d=y(Math.floor(2E3*c))):k=new J.atomdata.RadiusData(e,0,null,null);this.sm.setShapeSizeBs(JV.JC.shapeTokenIndex(b),d,k,a);return}this.setAPm(a,b,d,c,f,e,h)},"JU.BS,~N,~N,~N,~S,~A,~A");c(c$,"getFileData",function(a){if(0>a)return"";var b=this.getInfo(a,"fileData");if(null!=b)return b;if(!this.getInfoB(a,"isCIF"))return this.getPDBHeader(a);b=this.vwr.getCifData(a);this.setInfo(a,"fileData", +b);return b},"~N");c(c$,"addHydrogens",function(a,b){var d=this.mc-1,c=new JU.BS;if(this.isTrajectory(d)||1a||a>=this.mc?null:null!=this.am[a].simpleCage?this.am[a].simpleCage:null!=this.unitCells&&athis.mc?"":0<=a?this.modelNames[a]:this.modelNumbersForAtomLabel[-1-a]},"~N");c(c$,"getModelTitle",function(a){return this.getInfo(a,"title")},"~N");c(c$,"getModelFileName",function(a){return this.getInfo(a,"fileName")},"~N");c(c$,"getModelFileType",function(a){return this.getInfo(a,"fileType")},"~N");c(c$,"setFrameTitle",function(a,b){if(q(b,String))for(var d=a.nextSetBit(0);0<= +d;d=a.nextSetBit(d+1))this.frameTitles[d]=b;else for(var d=a.nextSetBit(0),c=0;0<=d;d=a.nextSetBit(d+1))cd&&(d=a));return 0==d?10:d},"~N,JU.P3,~B");c(c$,"calcBoundBoxDimensions",function(a,b){null!=a&&0>a.nextSetBit(0)&&(a=null);if(!(null==a&&this.isBbcageDefault||0==this.ac)){if(null==this.getDefaultBoundBox())this.bboxModels=this.getModelBS(this.bboxAtoms=JU.BSUtil.copy(a),!1),this.calcAtomsMinMax(a, +this.boxInfo)==this.ac&&(this.isBbcageDefault=!0),null==a&&null!=this.unitCells&&this.calcUnitCellMinMax();else{var d=this.defaultBBox.getBoundBoxVertices();this.boxInfo.reset();for(var c=0;8>c;c++)this.boxInfo.addBoundBoxPoint(d[c])}this.boxInfo.setBbcage(b)}},"JU.BS,~N");c(c$,"getDefaultBoundBox",function(){var a=this.getInfoM("boundbox");null==a?this.defaultBBox=null:(null==this.defaultBBox&&(this.defaultBBox=new JU.BoxInfo),this.defaultBBox.setBoundBoxFromOABC(a));return this.defaultBBox});c(c$, +"getBoxInfo",function(a,b){if(null==a)return this.boxInfo;var d=new JU.BoxInfo;this.calcAtomsMinMax(a,d);d.setBbcage(b);return d},"JU.BS,~N");c(c$,"calcAtomsMinMax",function(a,b){b.reset();for(var d=0,c=null==a,f=c?this.ac-1:a.nextSetBit(0);0<=f;f=c?f-1:a.nextSetBit(f+1))d++,this.isJmolDataFrameForAtom(this.at[f])||b.addBoundBoxPoint(this.at[f]);return d},"JU.BS,JU.BoxInfo");c(c$,"calcUnitCellMinMax",function(){for(var a=new JU.P3,b=0;bf;f++)a.add2(c,d[f]),this.boxInfo.addBoundBoxPoint(a)});c(c$,"calcRotationRadiusBs",function(a){for(var b=this.getAtomSetCenter(a),d=0,c=a.nextSetBit(0);0<=c;c=a.nextSetBit(c+1)){var f=this.at[c],f=b.distance(f)+this.getRadiusVdwJmol(f);f>d&&(d=f)}return 0==d?10:d},"JU.BS");c(c$,"getCenterAndPoints",function(a,b){for(var d,c,f=b?1:0,e=a.size();0<=--e;){var h=a.get(e);d=h[0];q(h[1],JU.BS)?(c=h[1],f+=Math.min(d.cardinality(), +c.cardinality())):f+=Math.min(d.cardinality(),h[1].length)}var k=w(2,f,null);b&&(k[0][0]=new JU.P3,k[1][0]=new JU.P3);for(e=a.size();0<=--e;)if(h=a.get(e),d=h[0],q(h[1],JU.BS)){c=h[1];for(var h=d.nextSetBit(0),j=c.nextSetBit(0);0<=h&&0<=j;h=d.nextSetBit(h+1),j=c.nextSetBit(j+1))k[0][--f]=this.at[h],k[1][f]=this.at[j],b&&(k[0][0].add(this.at[h]),k[1][0].add(this.at[j]))}else{c=h[1];h=d.nextSetBit(0);for(j=0;0<=h&&jk?"all #"+k:this.getModelNumberDotted(k))+";\n "+a),this.thisStateModel=k):this.thisStateModel=-1;a=new JM.StateScript(this.thisStateModel,a,b,d,c,f,h);a.isValid()&&this.stateScripts.addLast(a);return a},"~S,JU.BS,JU.BS,JU.BS,~S,~B,~B");c(c$,"freezeModels",function(){this.haveBioModels=!1;for(var a=this.mc;0<=--a;)this.haveBioModels= +(new Boolean(this.haveBioModels|this.am[a].freeze())).valueOf()});c(c$,"getStructureList",function(){return this.vwr.getStructureList()});c(c$,"getInfoM",function(a){return null==this.msInfo?null:this.msInfo.get(a)},"~S");c(c$,"getMSInfoB",function(a){a=this.getInfoM(a);return q(a,Boolean)&&a.booleanValue()},"~S");c(c$,"isTrajectory",function(a){return this.am[a].isTrajectory},"~N");c(c$,"isTrajectorySubFrame",function(a){return this.am[a].trajectoryBaseIndex!=a},"~N");c(c$,"isTrajectoryMeasurement", +function(a){return null!=this.trajectory&&this.trajectory.hasMeasure(a)},"~A");c(c$,"getModelBS",function(a,b){var d=new JU.BS,c=0,f=null==a;b=(new Boolean(b&null!=this.trajectory)).valueOf();for(var e=f?0:a.nextSetBit(0);0<=e&&ea.modelIndex?null==a.bsSelected?0:Math.max(0,a.bsSelected.nextSetBit(0)):this.am[a.modelIndex].firstAtomIndex,a.lastModelIndex=a.firstModelIndex=0==this.ac?0:this.at[a.firstAtomIndex].mi,a.modelName=this.getModelNumberDotted(a.firstModelIndex),this.fillADa(a,b))},"J.atomdata.AtomData,~N");c(c$,"getModelNumberDotted",function(a){return 1>this.mc||a>=this.mc||0>a?"":JU.Escape.escapeModelFileNumber(this.modelFileNumbers[a])},"~N");c(c$,"getModelNumber", +function(a){return this.modelNumbers[2147483647==a?this.mc-1:a]},"~N");c(c$,"getModelProperty",function(a,b){var d=this.am[a].properties;return null==d?null:d.getProperty(b)},"~N,~S");c(c$,"getModelAuxiliaryInfo",function(a){return 0>a?null:this.am[a].auxiliaryInfo},"~N");c(c$,"setInfo",function(a,b,d){0<=a&&aa?null:this.am[a].auxiliaryInfo.get(b)},"~N,~S");c(c$,"getInfoB",function(a,b){var d=this.am[a].auxiliaryInfo; +return null!=d&&d.containsKey(b)&&d.get(b).booleanValue()},"~N,~S");c(c$,"getInfoI",function(a,b){var d=this.am[a].auxiliaryInfo;return null!=d&&d.containsKey(b)?d.get(b).intValue():-2147483648},"~N,~S");c(c$,"getInsertionCountInModel",function(a){return this.am[a].insertionCount},"~N");c$.modelFileNumberFromFloat=c(c$,"modelFileNumberFromFloat",function(a){var b=y(Math.floor(a));for(a=y(Math.floor(1E4*(a-b+1E-5)));0!=a&&0==a%10;)a/=10;return 1E6*b+a},"~N");c(c$,"getChainCountInModelWater",function(a, +b){if(0>a){for(var d=0,c=this.mc;0<=--c;)d+=this.am[c].getChainCount(b);return d}return this.am[a].getChainCount(b)},"~N,~B");c(c$,"getGroupCountInModel",function(a){if(0>a){a=0;for(var b=this.mc;0<=--b;)a+=this.am[b].getGroupCount();return a}return this.am[a].getGroupCount()},"~N");c(c$,"calcSelectedGroupsCount",function(){for(var a=this.vwr.bsA(),b=this.mc;0<=--b;)this.am[b].calcSelectedGroupsCount(a)});c(c$,"isJmolDataFrameForModel",function(a){return 0<=a&&aa.indexOf("deriv")&&(a=a.substring(0,a.indexOf(" ")),c.dataFrames.put(a,Integer.$valueOf(d)))}, +"~S,~N,~N");c(c$,"getJmolDataFrameIndex",function(a,b){if(null==this.am[a].dataFrames)return-1;var d=this.am[a].dataFrames.get(b);return null==d?-1:d.intValue()},"~N,~S");c(c$,"clearDataFrameReference",function(a){for(var b=0;ba)return"";if(this.am[a].isBioModel)return this.getPDBHeader(a);a=this.getInfo(a,"fileHeader");null==a&&(a=this.modelSetName);return null!= +a?a:"no header information found"},"~N");c(c$,"getAltLocCountInModel",function(a){return this.am[a].altLocCount},"~N");c(c$,"getAltLocIndexInModel",function(a,b){if("\x00"==b)return 0;var d=this.getAltLocListInModel(a);return 0==d.length?0:d.indexOf(b)+1},"~N,~S");c(c$,"getInsertionCodeIndexInModel",function(a,b){if("\x00"==b)return 0;var d=this.getInsertionListInModel(a);return 0==d.length?0:d.indexOf(b)+1},"~N,~S");c(c$,"getAltLocListInModel",function(a){a=this.getInfo(a,"altLocs");return null== +a?"":a},"~N");c(c$,"getInsertionListInModel",function(a){a=this.getInfo(a,"insertionCodes");return null==a?"":a},"~N");c(c$,"getModelSymmetryCount",function(a){return 0a||this.isTrajectory(a)||a>=this.mc-1?this.ac:this.am[a+1].firstAtomIndex,f=0>=a?0:this.am[a].firstAtomIndex;--c>=f;)if((0>a||this.at[c].mi==a)&&((1275072532==b||0==b)&&null!=(d=this.getModulation(c))||(4166==b||0==b)&&null!=(d=this.getVibration(c,!1)))&&d.isNonzero())return c;return-1},"~N,~N");c(c$,"getModulationList",function(a,b,d){var c=new JU.Lst;if(null!=this.vibrations)for(var f=a.nextSetBit(0);0<=f;f=a.nextSetBit(f+1))q(this.vibrations[f],J.api.JmolModulationSet)? +c.addLast(this.vibrations[f].getModulation(b,d)):c.addLast(Float.$valueOf("O"==b?NaN:-1));return c},"JU.BS,~S,JU.P3");c(c$,"getElementsPresentBitSet",function(a){if(0<=a)return this.elementsPresent[a];a=new JU.BS;for(var b=0;ba)return null;var b=this.getInfo(a,"dipole");null==b&&(b=this.getInfo(a,"DIPOLE_VEC"));return b},"~N");c(c$,"calculateMolecularDipole",function(a,b){if(null!=b){var d=b.nextSetBit(0);if(0>d)return null;a=this.at[d].mi}if(0>a)return null;var c=d=0,f=0,e=0,h=new JU.V3,k=new JU.V3;null==b&&(b=this.getModelAtomBitSetIncludingDeleted(-1,!1));this.vwr.getOrCalcPartialCharges(this.am[a].bsAtoms,null);for(var j=b.nextSetBit(0);0<=j;j=b.nextSetBit(j+1))if(!(this.at[j].mi!=a||this.at[j].isDeleted())){var x= +this.partialCharges[j];0>x?(c++,e+=x,k.scaleAdd2(x,this.at[j],k)):0a)return this.moleculeCount;for(var d=0;dd)return null;d=this.getUnitCell(this.at[d].mi); +return null==d?null:d.notInCentroid(this,a,b)},"JU.BS,~A");c(c$,"getMolecules",function(){if(0b?a.setCenter(d,c):(this.initializeBspt(b),a.setModel(this,b,this.am[b].firstAtomIndex,2147483647,d,c,null))},"J.api.AtomIndexIterator,~N,JU.T3,~N");c(c$,"setIteratorForAtom", +function(a,b,d,c,f){0>b&&(b=this.at[d].mi);b=this.am[b].trajectoryBaseIndex;this.initializeBspt(b);a.setModel(this,b,this.am[b].firstAtomIndex,d,this.at[d],c,f)},"J.api.AtomIndexIterator,~N,~N,~N,J.atomdata.RadiusData");c(c$,"getSelectedAtomIterator",function(a,b,d,c,f){this.initializeBspf();if(f){f=this.getModelBS(a,!1);for(var e=f.nextSetBit(0);0<=e;e=f.nextSetBit(e+1))this.initializeBspt(e);f=new JM.AtomIteratorWithinModelSet(f)}else f=new JM.AtomIteratorWithinModel;f.initialize(this.bspf,a,b, +d,c,this.vwr.isParallel());return f},"JU.BS,~B,~B,~B,~B");j(c$,"getBondCountInModel",function(a){return 0>a?this.bondCount:this.am[a].getBondCount()},"~N");c(c$,"getAtomCountInModel",function(a){return 0>a?this.ac:this.am[a].act},"~N");c(c$,"getModelAtomBitSetIncludingDeletedBs",function(a){var b=new JU.BS;null==a&&null==this.bsAll&&(this.bsAll=JU.BSUtil.setAll(this.ac));if(null==a)b.or(this.bsAll);else for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))b.or(this.getModelAtomBitSetIncludingDeleted(d, +!1));return b},"JU.BS");c(c$,"getModelAtomBitSetIncludingDeleted",function(a,b){var d=0>a?this.bsAll:this.am[a].bsAtoms;null==d&&(d=this.bsAll=JU.BSUtil.setAll(this.ac));return b?JU.BSUtil.copy(d):d},"~N,~B");c(c$,"getAtomBitsMaybeDeleted",function(a,b){var d;switch(a){default:return this.getAtomBitsMDa(a,b,new JU.BS);case 1073741925:case 1073742189:case 1111490587:case 1073742128:case 1073741863:case 1086324744:return d=new JU.BS,this.haveBioModels?this.bioModelset.getAtomBitsStr(a,b,d):d;case 1677721602:case 1073742331:return this.getAtomBitsMDb(a, +b);case 1678381065:var c=this.getBoxInfo(b,1);d=this.getAtomsWithin(c.getBoundBoxCornerVector().length()+1E-4,c.getBoundBoxCenter(),null,-1);for(var f=d.nextSetBit(0);0<=f;f=d.nextSetBit(f+1))c.isWithin(this.at[f])||d.clear(f);return d;case 1094713349:d=new JU.BS;for(f=this.ac;0<=--f;)null!=this.at[f]&&this.isInLatticeCell(f,b,this.ptTemp2,!1)&&d.set(f);return d;case 1094713350:d=JU.BSUtil.newBitSet2(0,this.ac);c=z(-1,[A(b.x)-1,A(b.y)-1,A(b.z)-1,A(b.x),A(b.y),A(b.z),0]);for(f=this.mc;0<=--f;){var e= +this.getUnitCell(f);null==e?JU.BSUtil.andNot(d,this.am[f].bsAtoms):d.andNot(e.notInCentroid(this,this.am[f].bsAtoms,c))}return d;case 1094713360:return this.getMoleculeBitSet(b);case 1073742363:return this.getSelectCodeRange(b);case 2097196:d=JU.BS.newN(this.ac);c=-1;e=0;for(f=this.ac;0<=--f;){var h=this.at[f];if(null!=h){var k=h.atomSymmetry;if(null!=k){if(h.mi!=c){c=h.mi;if(null==this.getModelCellRange(c))continue;e=this.getModelSymmetryCount(c)}for(var h=0,j=e;0<=--j;)if(k.get(j)&&1<++h){d.set(f); +break}}}}return d;case 1088421903:return JU.BSUtil.copy(null==this.bsSymmetry?this.bsSymmetry=JU.BS.newN(this.ac):this.bsSymmetry);case 1814695966:d=new JU.BS;if(null==this.vwr.getCurrentUnitCell())return d;this.ptTemp1.set(1,1,1);for(f=this.ac;0<=--f;)null!=this.at[f]&&this.isInLatticeCell(f,this.ptTemp1,this.ptTemp2,!1)&&d.set(f);return d}},"~N,~O");c(c$,"getSelectCodeRange",function(a){var b=new JU.BS,d=a[0],c=a[1];a=a[2];var f=this.vwr.getBoolean(603979822);0<=a&&(300>a&&!f)&&(a=this.chainToUpper(a)); +for(var e=this.mc;0<=--e;)if(this.am[e].isBioModel)for(var h=this.am[e],k,j=h.chainCount;0<=--j;){var x=h.chains[j];if(-1==a||a==(k=x.chainID)||!f&&0k&&a==this.chainToUpper(k))for(var m=x.groups,x=x.groupCount,p=0;0<=p;)p=JM.ModelSet.selectSeqcodeRange(m,x,p,d,c,b)}return b},"~A");c$.selectSeqcodeRange=c(c$,"selectSeqcodeRange",function(a,b,d,c,f,e){var h,k,j,x=!1;for(k=d;kc&&h-ca?this.getAtomsWithin(a,this.at[j].getFractionalUnitCoordPt(d,!0,k),f,-1):(this.setIteratorForAtom(h,x,j,a,c),h.addAtoms(f)))}else{f.or(b);for(j=b.nextSetBit(0);0<=j;j=b.nextSetBit(j+1))0>a?this.getAtomsWithin(a, +this.at[j],f,this.at[j].mi):(this.setIteratorForAtom(h,-1,j,a,c),h.addAtoms(f))}h.release();return f},"~N,JU.BS,~B,J.atomdata.RadiusData");c(c$,"getAtomsWithin",function(a,b,d,c){null==d&&(d=new JU.BS);if(0>a){a=-a;for(var f=this.ac;0<=--f;){var e=this.at[f];null==e||0<=c&&e.mi!=c||!d.get(f)&&e.getFractionalUnitDistance(b,this.ptTemp1,this.ptTemp2)<=a&&d.set(e.i)}return d}c=this.getIterativeModels(!0);f=this.getSelectedAtomIterator(null,!1,!1,!1,!1);for(e=this.mc;0<=--e;)c.get(e)&&!this.am[e].bsAtoms.isEmpty()&& +(this.setIteratorForAtom(f,-1,this.am[e].firstAtomIndex,-1,null),f.setCenter(b,a),f.addAtoms(d));f.release();return d},"~N,JU.T3,JU.BS,~N");c(c$,"deleteBonds",function(a,b){if(!b)for(var d=new JU.BS,c=new JU.BS,f=a.nextSetBit(0);0<=f;f=a.nextSetBit(f+1)){var e=this.bo[f].atom1;this.am[e.mi].isModelKit||(d.clearAll(),c.clearAll(),d.set(e.i),c.set(this.bo[f].getAtomIndex2()),this.addStateScript("connect ",null,d,c,"delete",!1,!0))}this.dBb(a,b)},"JU.BS,~B");c(c$,"makeConnections2",function(a,b,d,c, +f,e,h,k,j,x){null==h&&(h=new JU.BS);var m=65535==d,p=131071==d,n=65537==d;p&&(d=1);var v=JU.Edge.isOrderH(d),q=!1,r=!1,s=!1,t=!1;switch(c){case 12291:return this.deleteConnections(a,b,d,f,e,k,p);case 603979872:case 1073741852:if(515!=d){if(k){a=f;f=new JU.BS;e=new JU.BS;for(var u=a.nextSetBit(0);0<=u;u=a.nextSetBit(u+1))f.set(this.bo[u].atom1.i),e.set(this.bo[u].atom2.i)}return z(-1,[v?this.autoHbond(f,e,!1):this.autoBondBs4(f,e,null,h,this.vwr.getMadBond(),603979872==c),0])}r=t=!0;break;case 1086324745:q= +r=!0;break;case 1073742025:r=!0;break;case 1073741904:s=!0}c=!q||m;m=!q&&!m;this.defaultCovalentMad=this.vwr.getMadBond();var p=0>a,w=0>b,y=p||w,A=!k||0.1!=a||1E8!=b;A&&(a=this.fixD(a,p),b=this.fixD(b,w));var C=this.getDefaultMadFromOrder(d),D=0,F=0,H=null,K=null,L=null,M="\x00",N=d|131072,O=0!=(d&512);try{for(u=f.nextSetBit(0);0<=u;u=f.nextSetBit(u+1)){if(k)H=this.bo[u],K=H.atom1,L=H.atom2;else{K=this.at[u];if(K.isDeleted())continue;M=this.isModulated(u)?"\x00":K.altloc}for(var P=k?0:e.nextSetBit(0);0<= +P;P=e.nextSetBit(P+1)){if(k)P=2147483646;else{if(P==u)continue;L=this.at[P];if(null==L||K.mi!=L.mi||L.isDeleted())continue;if("\x00"!=M&&M!=L.altloc&&"\x00"!=L.altloc)continue;H=K.getBond(L)}if(!(null==H?r:s)&&!(A&&!this.isInRange(K,L,a,b,p,w,y)||O&&!this.allowAromaticBond(H)))if(null==H)h.set(this.bondAtoms(K,L,d,C,h,x,j,!0).index),D++;else if(m&&(H.setOrder(d),n&&(this.haveAtropicBonds=!0,H.setAtropisomerOptions(f,e)),this.bsAromatic.clear(H.index)),c||d==H.order||N==H.order||v&&H.isHydrogen())h.set(H.index), +F++}}}catch(Q){if(!G(Q,Exception))throw Q;}t&&this.assignAromaticBondsBs(!0,h);q||this.sm.setShapeSizeBs(1,-2147483648,null,h);return z(-1,[D,F])},"~N,~N,~N,~N,JU.BS,JU.BS,JU.BS,~B,~B,~N");c(c$,"autoBondBs4",function(a,b,d,c,f,e){if(e)return this.autoBond_Pre_11_9_24(a,b,d,c,f);if(0==this.ac)return 0;0==f&&(f=1);1.4E-45==this.maxBondingRadius&&this.findMaxRadii();e=this.vwr.getFloat(570425348);var h=this.vwr.getFloat(570425364),h=h*h,k=0;this.showRebondTimes&&JU.Logger.startTimer("autobond");var j= +-1,x=null==a,m,p;x?(p=0,m=null):(a.equals(b)?m=a:(m=JU.BSUtil.copy(a),m.or(b)),p=m.nextSetBit(0));for(var n=this.getSelectedAtomIterator(null,!1,!1,!0,!1),q=!1;0<=p&&pthis.occupancies[p]!=50>this.occupancies[C]||y&&Math.signum(A.getFormalCharge())==w)||(C=this.isBondable(u,A.getBondingRadius(),n.foundDistance2(),h,e)?1:0,0e&&0>h||0j||u&&e.get(y.i)||t.isBonded(y))){if(0\n');if(null!=this.modelSetProperties){for(var b=this.modelSetProperties.propertyNames();b.hasMoreElements();){var d= +b.nextElement();a.append('\n '); +a.append("\n");return a.toString()});c(c$,"getSymmetryInfoAsString",function(){for(var a=(new JU.SB).append("Symmetry Information:"),b=0;b=this.at.length&&this.growAtomArrays(this.ac+100);this.at[this.ac]=k;this.setBFactor(this.ac,r,!1);this.setOccupancy(this.ac,q,!1);this.setPartialCharge(this.ac,n,!1);null!=s&&this.setAtomTensors(this.ac,s);k.group=b;k.colixAtom=this.vwr.cm.getColixAtomPalette(k,J.c.PAL.CPK.id);null!=c&&(null!=f&&(null==this.atomTypes&&(this.atomTypes=Array(this.at.length)),this.atomTypes[this.ac]= +f),k.atomID=u,0==u&&(null==this.atomNames&&(this.atomNames=Array(this.at.length)),this.atomNames[this.ac]=c.intern()));-2147483648!=e&&(null==this.atomSerials&&(this.atomSerials=z(this.at.length,0)),this.atomSerials[this.ac]=e);0!=h&&(null==this.atomSeqIDs&&(this.atomSeqIDs=z(this.at.length,0)),this.atomSeqIDs[this.ac]=h);null!=m&&this.setVibrationVector(this.ac,m);Float.isNaN(y)||this.setBondingRadius(this.ac,y);this.ac++;return k},"~N,JM.Group,~N,~S,~S,~N,~N,~N,JU.P3,~N,JU.V3,~N,~N,~N,~N,JU.Lst,~B,~N,JU.BS,~N"); +c(c$,"getInlineData",function(a){var b=null;if(0<=a)b=this.am[a].loadScript;else for(a=this.mc;0<=--a&&!(0<(b=this.am[a].loadScript).length()););a=b.lastIndexOf('data "');if(0>a)return b=JU.PT.getQuotedStringAt(b.toString(),0),JS.ScriptCompiler.unescapeString(b,0,b.length);a=b.indexOf2('"',a+7);var d=b.lastIndexOf('end "');return da?null:b.substring2(a+2,d)},"~N");c(c$,"isAtomPDB",function(a){return 0<=a&&this.am[this.at[a].mi].isBioModel},"~N");c(c$,"isAtomInLastModel",function(a){return 0<= +a&&this.at[a].mi==this.mc-1},"~N");c(c$,"haveModelKit",function(){for(var a=0;ab&&(a=this.am[this.at[a].mi].firstAtomIndex);null==this.atomSerials&&(this.atomSerials=z(this.ac,0));null==this.atomNames&&(this.atomNames= +Array(this.ac));for(var c=this.isXYZ&&this.vwr.getBoolean(603979978),f=2147483647,e=1;a=-b){if(0==k||0>b)this.atomSerials[a]=ab)this.atomNames[a]=(h.getElementSymbol()+this.atomSerials[a]).intern()}else k>e&&(e=k);(!this.am[f].isModelKit||0c.length)){var f=A(c[0]),e=0>f;e&&(f=-1-f);var h=A(c[1]);if(!(0>h||f>=this.ac||h>=this.ac)){var k=2k&&(k&=65535);var j=3k;)if(c=this.at[a[k]],f=this.at[a[j]],c.isBonded(f))for(var x=d;0<=--x;)if(x!=k&&x!=j&&(e=this.at[a[x]]).isBonded(c))for(var m= +d;0<=--m;)if(m!=k&&m!=j&&m!=x&&(h=this.at[a[m]]).isBonded(f)){var p=z(4,0);p[0]=e.i;p[1]=c.i;p[2]=f.i;p[3]=h.i;b.addLast(p)}d=b.size();a=JU.AU.newInt2(d);for(k=d;0<=--k;)a[d-k-1]=b.get(k);return a},"~A");c(c$,"setModulation",function(a,b,d,c){if(null==this.bsModulated)if(b)this.bsModulated=new JU.BS;else if(null==a)return;null==a&&(a=this.getModelAtomBitSetIncludingDeleted(-1,!1));for(var f=this.vwr.getFloat(1275072532),e=!1,h=a.nextSetBit(0);0<=h;h=a.nextSetBit(h+1)){var j=this.getModulation(h); +null!=j&&(j.setModTQ(this.at[h],b,d,c,f),null!=this.bsModulated&&this.bsModulated.setBitTo(h,b),e=!0)}e||(this.bsModulated=null)},"JU.BS,~B,JU.P3,~B");c(c$,"getBoundBoxOrientation",function(a,b){var d=0,c=0,f=0,e=null,h=null,j=b.nextSetBit(0),l=0;if(0<=j){c=null==this.vOrientations?0:this.vOrientations.length;if(0==c){e=Array(3375);c=0;l=new JU.P4;for(d=-7;7>=d;d++)for(f=-7;7>=f;f++)for(var x=0;14>=x;x++,c++)1<(e[c]=JU.V3.new3(d/7,f/7,x/14)).length()&&--c;this.vOrientations=Array(c);for(d=c;0<=--d;)x= +Math.sqrt(1-e[d].lengthSquared()),Float.isNaN(x)&&(x=0),l.set4(e[d].x,e[d].y,e[d].z,x),this.vOrientations[d]=JU.Quat.newP4(l)}var x=new JU.P3,l=3.4028235E38,m=null,p=new JU.BoxInfo;p.setMargin(1312817669==a?0:0.1);for(d=0;dd;d++)h.transform2(j[d],j[d]),0d&&(x.set(0,1,0),e=JU.Quat.newVA(x,90).mulQ(e),h=d,d=f,f=h),x.set(1,0,0),e=JU.Quat.newVA(x,90).mulQ(e),h=c,c=f,f=h)}}return 1312817669==a?l+"\t{"+d+" "+c+" "+f+"}\t"+b:1814695966==a?null:null==e||0==e.getTheta()?new JU.Quat:e},"~N,JU.BS");c(c$,"getUnitCellForAtom",function(a){if(0>a||a>this.ac)return null;if(null!=this.bsModulated){var b=this.getModulation(a),b=null==b?null:b.getSubSystemUnitCell();if(null!=b)return b}return this.getUnitCell(this.at[a].mi)}, +"~N");c(c$,"clearCache",function(){for(var a=this.mc;0<=--a;)this.am[a].resetDSSR(!1)});c(c$,"getSymMatrices",function(a){var b=this.getModelSymmetryCount(a);if(0==b)return null;var d=Array(b),c=this.am[a].biosymmetry;null==c&&(c=this.getUnitCell(a));for(a=b;0<=--a;)d[a]=c.getSpaceGroupOperation(a);return d},"~N");c(c$,"getBsBranches",function(a){for(var b=y(a.length/6),d=Array(b),c=new java.util.Hashtable,f=0,e=0;fMath.abs(a[e+5]-a[e+4]))){var h=A(a[e+1]),j=A(a[e+2]),l=""+h+"_"+ +j;if(!c.containsKey(l)){c.put(l,Boolean.TRUE);for(var l=this.vwr.getBranchBitSet(j,h,!0),x=this.at[h].bonds,h=this.at[h],m=0;mj.nextSetBit(0)))if(b>=h.altLocCount)0==b&&f.or(j);else if(!this.am[e].isBioModel||!this.am[e].getConformation(b,d,j,f)){for(var l=this.getAltLocCountInModel(e),h=this.getAltLocListInModel(e),x=new JU.BS;0<=--l;)l!=b&&j.andNot(this.getAtomBitsMDa(1073742355,h.substring(l,l+1),x));0<=j.nextSetBit(0)&&f.or(j)}}return f},"~N,~N,~B,JU.BS");c(c$,"getSequenceBits",function(a,b,d){return this.haveBioModels? +this.bioModelset.getAllSequenceBits(a,b,d):d},"~S,JU.BS,JU.BS");c(c$,"getBioPolymerCountInModel",function(a){return this.haveBioModels?this.bioModelset.getBioPolymerCountInModel(a):0},"~N");c(c$,"getPolymerPointsAndVectors",function(a,b,d,c){this.haveBioModels&&this.bioModelset.getAllPolymerPointsAndVectors(a,b,d,c)},"JU.BS,JU.Lst,~B,~N");c(c$,"recalculateLeadMidpointsAndWingVectors",function(a){this.haveBioModels&&this.bioModelset.recalculatePoints(a)},"~N");c(c$,"calcRasmolHydrogenBonds",function(a, +b,d,c,f,e,h){this.haveBioModels&&this.bioModelset.calcAllRasmolHydrogenBonds(a,b,d,c,f,e,h,2)},"JU.BS,JU.BS,JU.Lst,~B,~N,~B,JU.BS");c(c$,"calculateStraightnessAll",function(){this.haveBioModels&&!this.haveStraightness&&this.bioModelset.calculateStraightnessAll()});c(c$,"calculateStruts",function(a,b){return this.haveBioModels?this.bioModelset.calculateStruts(a,b):0},"JU.BS,JU.BS");c(c$,"getGroupsWithin",function(a,b){return this.haveBioModels?this.bioModelset.getGroupsWithinAll(a,b):new JU.BS},"~N,JU.BS"); +c(c$,"getProteinStructureState",function(a,b){return this.haveBioModels?this.bioModelset.getFullProteinStructureState(a,b):""},"JU.BS,~N");c(c$,"calculateStructures",function(a,b,d,c,f,e){return this.haveBioModels?this.bioModelset.calculateAllStuctures(a,b,d,c,f,e):""},"JU.BS,~B,~B,~B,~B,~N");c(c$,"calculateStructuresAllExcept",function(a,b,d,c,f,e,h){this.freezeModels();return this.haveBioModels?this.bioModelset.calculateAllStructuresExcept(a,b,d,c,f,e,h):""},"JU.BS,~B,~B,~B,~B,~B,~N");c(c$,"recalculatePolymers", +function(a){this.bioModelset.recalculateAllPolymers(a,this.getGroups())},"JU.BS");c(c$,"calculatePolymers",function(a,b,d,c){null!=this.bioModelset&&this.bioModelset.calculateAllPolymers(a,b,d,c)},"~A,~N,~N,JU.BS");c(c$,"calcSelectedMonomersCount",function(){this.haveBioModels&&this.bioModelset.calcSelectedMonomersCount()});c(c$,"setProteinType",function(a,b){this.haveBioModels&&this.bioModelset.setAllProteinType(a,b)},"JU.BS,J.c.STR");c(c$,"setStructureList",function(a){this.haveBioModels&&this.bioModelset.setAllStructureList(a)}, +"java.util.Map");c(c$,"setConformation",function(a){this.haveBioModels&&this.bioModelset.setAllConformation(a);return a},"JU.BS");c(c$,"getHeteroList",function(a){a=this.haveBioModels?this.bioModelset.getAllHeteroList(a):null;return null==a?this.getInfoM("hetNames"):a},"~N");c(c$,"getUnitCellPointsWithin",function(a,b,d,c){var f=new JU.Lst,e=null,h=null;c&&(e=new java.util.Hashtable,h=new JU.Lst,e.put("atoms",h),e.put("points",f));var j=null==b?-1:b.nextSetBit(0);b=this.vwr.getModelUndeletedAtomsBitSet(0> +j?this.vwr.am.cmi:this.at[j].mi);0>j&&(j=b.nextSetBit(0));if(0<=j){var l=this.getUnitCellForAtom(j);if(null!=l){b=l.getIterator(this.vwr,this.at[j],this.at,b,a);for(null!=d&&b.setCenter(d,a);b.hasNext();)j=b.next(),d=b.getPosition(),f.addLast(d),c&&h.addLast(Integer.$valueOf(j))}}return c?e:f},"~N,JU.BS,JU.P3,~B");c(c$,"calculateDssrProperty",function(a){if(null!=a){if(null==this.dssrData||this.dssrData.lengththis.modelIndex)return!0;JU.BSUtil.deleteBits(this.bsBonds,b);JU.BSUtil.deleteBits(this.bsAtoms1,d);JU.BSUtil.deleteBits(this.bsAtoms2,d);return this.isValid()},"~N,JU.BS,JU.BS");c(c$,"setModelIndex",function(a){this.modelIndex=a},"~N")});s("JM");N(JM,"Structure");s("JM");c$=t(function(){this.id="";this.type= +" ";this.scale=this.tickLabelFormats=this.ticks=null;this.first=0;this.signFactor=1;this.reference=null;n(this,arguments)},JM,"TickInfo");r(c$,function(a){this.ticks=a},"JU.P3");s("JU");u(["JU.P3","$.V3"],"JU.BoxInfo",["JU.Point3fi"],function(){c$=t(function(){this.bbVertices=this.bbVector=this.bbCenter=this.bbCorner1=this.bbCorner0=null;this.isScaleSet=!1;this.margin=0;n(this,arguments)},JU,"BoxInfo");O(c$,function(){this.bbCorner0=new JU.P3;this.bbCorner1=new JU.P3;this.bbCenter=new JU.P3;this.bbVector= +new JU.V3;this.bbVertices=Array(8);for(var a=0;8>a;a++)JU.BoxInfo.unitBboxPoints[a]=JU.P3.new3(-1,-1,-1),JU.BoxInfo.unitBboxPoints[a].scaleAdd2(2,JU.BoxInfo.unitCubePoints[a],JU.BoxInfo.unitBboxPoints[a])});r(c$,function(){for(var a=8;0<=--a;)this.bbVertices[a]=new 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Math.round(63*this.getShadeF(a/c,b/c,d/c))},"~N,~N,~N");c(c$,"getShadeB",function(a,b,d){return Math.round(63*this.getShadeF(a,b,d))},"~N,~N,~N");c(c$,"getShadeFp8",function(a,b,d){var c=Math.sqrt(a*a+b*b+d*d);return y(Math.floor(16128*this.getShadeF(a/c,b/c,d/c)))},"~N,~N,~N");c(c$,"getShadeF",function(a,b,d){b=this.useLight?a*this.xLight+b*this.yLight+d*this.zLight:d; -if(0>=b)return 0;a=b*this.diffuseFactor;if(this.specularOn&&(b=2*b*d-this.zLight,0>8;if(!this.useLight)return a;(b&255)>this.nextRandom8Bit()&&++a;b=this.seed&65535;21845>b&&0a&&++a;return a}, -"~N,~N,~N,~N");c(c$,"calcSphereShading",function(){for(var a=-127.5,b=0;256>b;++a,++b)for(var d=-127.5,c=a*a,f=0;256>f;++d,++f){var e=0,h=16900-c-d*d;0>23});c(c$,"getEllipsoidShade",function(a,b,d,c,f){var e=f.m00*a+f.m01*b+f.m02*d+f.m03,h=f.m10*a+f.m11*b+f.m12*d+f.m13;a=f.m20*a+f.m21*b+f.m22*d+f.m23;c=Math.min(c/ -2,45)/Math.sqrt(e*e+h*h+a*a);e=B(-e*c);h=B(-h*c);c=B(a*c);if(a=-20>e||20<=e||-20>h||20<=h||0>c||40<=c){for(;0==e%2&&0==h%2&&0==c%2&&0>=1,h>>=1,c>>=1;a=-20>e||20<=e||-20>h||20<=h||0>c||40<=c}a?this.nOut++:this.nIn++;return a?this.getShadeIndex(e,h,c):this.ellipsoidShades[e+20][h+20][c]},"~N,~N,~N,~N,JU.M4");c(c$,"createEllipsoidShades",function(){this.ellipsoidShades=P(40,40,40,0);for(var a=0;40>a;a++)for(var b=0;40>b;b++)for(var d=0;40>d;d++)this.ellipsoidShades[a][b][d]=this.getShadeIndex(a- -20,b-20,d)});F(c$,"SHADE_INDEX_MAX",64,"SHADE_INDEX_LAST",63,"SHADE_INDEX_NORMAL",52,"SHADE_INDEX_NOISY_LIMIT",56,"SLIM",20,"SDIM",40,"maxSphereCache",128)});u("JU");x(null,"JU.SimpleUnitCell","java.lang.Float JU.AU $.M4 $.P3 $.P4 $.PT $.V3 JU.Escape".split(" "),function(){c$=t(function(){this.matrixFractionalToCartesian=this.matrixCartesianToFractional=this.unitCellParams=null;this.dimension=this.c_=this.b_=this.a_=this.cB_=this.cA_=this.sinGamma=this.cosGamma=this.sinBeta=this.cosBeta=this.sinAlpha= -this.cosAlpha=this.gamma=this.beta=this.alpha=this.c=this.b=this.a=this.nc=this.nb=this.na=this.volume=0;this.matrixFtoCNoOffset=this.matrixCtoFNoOffset=this.fractionalOrigin=null;s(this,arguments)},JU,"SimpleUnitCell");c(c$,"isSupercell",function(){return 1=this.a){var e=JU.V3.new3(a[6],a[7],a[8]),h=JU.V3.new3(a[9],a[10],a[11]),j=JU.V3.new3(a[12],a[13],a[14]);this.setABC(e,h,j);0>this.c&&(a=JU.AU.arrayCopyF(a,-1),0>this.b&&(h.set(0,0,1),h.cross(h,e),0.001>h.length()&&h.set(0,1,0),h.normalize(),a[9]=h.x,a[10]=h.y,a[11]=h.z),0>this.c&&(j.cross(e,h),j.normalize(),a[12]=j.x,a[13]=j.y,a[14]=j.z))}this.a*=d;0>=this.b?this.dimension=this.b=this.c=1:0>=this.c?(this.c=1,this.b*= -c,this.dimension=2):(this.b*=c,this.c*=f,this.dimension=3);this.setCellParams();if(21e;e++){switch(e%4){case 0:h=d;break;case 1:h=c;break;case 2:h=f;break;default:h=1}b[e]=a[6+e]*h}this.matrixCartesianToFractional=JU.M4.newA16(b);this.matrixCartesianToFractional.getTranslation(this.fractionalOrigin);this.matrixFractionalToCartesian=JU.M4.newM4(this.matrixCartesianToFractional).invert();1==a[0]&&this.setParamsFromMatrix()}else 14this.b||0>this.c?90:b.angle(d)/0.017453292,this.beta=0>this.c?90:a.angle(d)/0.017453292,this.gamma=0>this.b?90:a.angle(b)/0.017453292)},"JU.V3,JU.V3,JU.V3");c(c$,"setCellParams",function(){this.cosAlpha=Math.cos(0.017453292*this.alpha);this.sinAlpha=Math.sin(0.017453292*this.alpha);this.cosBeta=Math.cos(0.017453292* -this.beta);this.sinBeta=Math.sin(0.017453292*this.beta);this.cosGamma=Math.cos(0.017453292*this.gamma);this.sinGamma=Math.sin(0.017453292*this.gamma);var a=Math.sqrt(this.sinAlpha*this.sinAlpha+this.sinBeta*this.sinBeta+this.sinGamma*this.sinGamma+2*this.cosAlpha*this.cosBeta*this.cosGamma-2);this.volume=this.a*this.b*this.c*a;this.cA_=(this.cosAlpha-this.cosBeta*this.cosGamma)/this.sinGamma;this.cB_=a/this.sinGamma;this.a_=this.b*this.c*this.sinAlpha/this.volume;this.b_=this.a*this.c*this.sinBeta/ -this.volume;this.c_=this.a*this.b*this.sinGamma/this.volume});c(c$,"getFractionalOrigin",function(){return this.fractionalOrigin});c(c$,"toSupercell",function(a){a.x/=this.na;a.y/=this.nb;a.z/=this.nc;return a},"JU.P3");c(c$,"toCartesian",function(a,b){null!=this.matrixFractionalToCartesian&&(b?this.matrixFtoCNoOffset:this.matrixFractionalToCartesian).rotTrans(a)},"JU.T3,~B");c(c$,"toFractionalM",function(a){null!=this.matrixCartesianToFractional&&(a.mul(this.matrixFractionalToCartesian),a.mul2(this.matrixCartesianToFractional, -a))},"JU.M4");c(c$,"toFractional",function(a,b){null!=this.matrixCartesianToFractional&&(b?this.matrixCtoFNoOffset:this.matrixCartesianToFractional).rotTrans(a)},"JU.T3,~B");c(c$,"isPolymer",function(){return 1==this.dimension});c(c$,"isSlab",function(){return 2==this.dimension});c(c$,"getUnitCellParams",function(){return this.unitCellParams});c(c$,"getUnitCellAsArray",function(a){var b=this.matrixFractionalToCartesian;return a?I(-1,[b.m00,b.m10,b.m20,b.m01,b.m11,b.m21,b.m02,b.m12,b.m22]):I(-1,[this.a, -this.b,this.c,this.alpha,this.beta,this.gamma,b.m00,b.m10,b.m20,b.m01,b.m11,b.m21,b.m02,b.m12,b.m22,this.dimension,this.volume])},"~B");c(c$,"getInfo",function(a){switch(a){case 0:return this.a;case 1:return this.b;case 2:return this.c;case 3:return this.alpha;case 4:return this.beta;case 5:return this.gamma;case 6:return this.dimension}return NaN},"~N");c$.ijkToPoint3f=c(c$,"ijkToPoint3f",function(a,b,d,c){var f=1E9=a.x||0.98<=a.x)b/=2;if(0.02>=a.y||0.98<=a.y)b/=2;if(0.02>=a.z||0.98<=a.z)b/=2;return b},"JU.P3");c$.getReciprocal=c(c$,"getReciprocal",function(a, -b,d){var c=Array(4),f=4==a.length?1:0;c[0]=1==f?JU.P3.newP(a[0]):new JU.P3;for(var e=0;3>e;e++)c[e+1]=new JU.P3,c[e+1].cross(a[(e+f)%3+f],a[(e+f+1)%3+f]),c[e+1].scale(d/a[e+f].dot(c[e+1]));if(null==b)return c;for(e=0;4>e;e++)b[e]=c[e];return b},"~A,~A,~N");c$.setOabc=c(c$,"setOabc",function(a,b,d){if(null!=a&&(null==b&&(b=I(6,0)),0<=a.indexOf("=")))if(a=JU.PT.split(a.$replace(","," "),"="),7==a.length)for(var c=0;6>c;c++){if(Float.isNaN(b[c]=JU.PT.parseFloat(a[c+1])))return null}else return null; -if(null==d)return null;b=JU.SimpleUnitCell.newA(b).getUnitCellAsArray(!0);d[1].set(b[0],b[1],b[2]);d[2].set(b[3],b[4],b[5]);d[3].set(b[6],b[7],b[8]);return d},"~S,~A,~A");c$.setMinMaxLatticeParameters=c(c$,"setMinMaxLatticeParameters",function(a,b,d,c){if(d.x<=d.y&&555<=d.y){var f=new JU.P3;JU.SimpleUnitCell.ijkToPoint3f(d.x,f,0,c);b.x=B(f.x);b.y=B(f.y);b.z=B(f.z);JU.SimpleUnitCell.ijkToPoint3f(d.y,f,1,c);d.x=B(f.x);d.y=B(f.y);d.z=B(f.z)}switch(a){case 1:b.y=0,d.y=1;case 2:b.z=0,d.z=1}},"~N,JU.P3i,JU.P3i,~N"); -F(c$,"toRadians",0.017453292,"INFO_DIMENSIONS",6,"INFO_GAMMA",5,"INFO_BETA",4,"INFO_ALPHA",3,"INFO_C",2,"INFO_B",1,"INFO_A",0,"SLOP",0.02,"SLOP1",0.98)});u("JU");x(null,"JU.TempArray",["java.lang.Boolean","$.Float","JU.P3","$.P3i"],function(){c$=t(function(){this.freeEnum=this.lengthsFreeEnum=this.freeScreens=this.lengthsFreeScreens=this.freePoints=this.lengthsFreePoints=null;s(this,arguments)},JU,"TempArray");O(c$,function(){this.lengthsFreePoints=A(6,0);this.freePoints=Array(6);this.lengthsFreeScreens= -A(6,0);this.freeScreens=Array(6);this.lengthsFreeEnum=A(2,0);this.freeEnum=Array(2)});n(c$,function(){});c(c$,"clear",function(){this.clearTempPoints();this.clearTempScreens()});c$.findBestFit=c(c$,"findBestFit",function(a,b){for(var d=-1,c=2147483647,f=b.length;0<=--f;){var e=b[f];e>=a&&ea;a++)this.lengthsFreePoints[a]=0,this.freePoints[a]=null});c(c$,"allocTempPoints",function(a){var b;b=JU.TempArray.findBestFit(a,this.lengthsFreePoints);if(0a;a++)this.lengthsFreeScreens[a]=0,this.freeScreens[a]=null});c(c$,"allocTempScreens",function(a){var b;b=JU.TempArray.findBestFit(a,this.lengthsFreeScreens);if(0b.indexOf("@{")&&0>b.indexOf("%{"))return b;var c=b,f=0<=c.indexOf("\\");f&&(c=JU.PT.rep(c, -"\\%","\u0001"),c=JU.PT.rep(c,"\\@","\u0002"),f=!c.equals(b));for(var c=JU.PT.rep(c,"%{","@{"),e;0<=(d=c.indexOf("@{"));){d++;var h=d+1;e=c.length;for(var j=1,l="\x00",r="\x00";0=e)return c;e=c.substring(h,d);if(0==e.length)return c;e=a.evaluateExpression(e);p(e,JU.P3)&&(e=JU.Escape.eP(e));c=c.substring(0,h-2)+e.toString()+c.substring(d+ -1)}f&&(c=JU.PT.rep(c,"\u0002","@"),c=JU.PT.rep(c,"\u0001","%"));return c},"J.api.JmolViewer,~S")});u("JU");x(["JU.V3"],"JU.Vibration",["JU.P3"],function(){c$=t(function(){this.modDim=-1;this.modScale=NaN;this.showTrace=!1;this.trace=null;this.tracePt=0;s(this,arguments)},JU,"Vibration",JU.V3);c(c$,"setCalcPoint",function(a,b,d){switch(this.modDim){case -2:break;default:a.scaleAdd2(Math.cos(6.283185307179586*b.x)*d,this,a)}return a},"JU.T3,JU.T3,~N,~N");c(c$,"getInfo",function(a){a.put("vibVector", -JU.V3.newV(this));a.put("vibType",-2==this.modDim?"spin":-1==this.modDim?"vib":"mod")},"java.util.Map");j(c$,"clone",function(){var a=new JU.Vibration;a.setT(this);a.modDim=this.modDim;return a});c(c$,"setXYZ",function(a){this.setT(a)},"JU.T3");c(c$,"setType",function(a){this.modDim=a;return this},"~N");c(c$,"isNonzero",function(){return 0!=this.x||0!=this.y||0!=this.z});c(c$,"getOccupancy100",function(){return-2147483648},"~B");c(c$,"startTrace",function(a){this.trace=Array(a);this.tracePt=a},"~N"); -c(c$,"addTracePt",function(a,b){(null==this.trace||0==a||a!=this.trace.length)&&this.startTrace(a);if(null!=b&&2=--this.tracePt){for(var d=this.trace[this.trace.length-1],c=this.trace.length;1<=--c;)this.trace[c]=this.trace[c-1];this.trace[1]=d;this.tracePt=1}d=this.trace[this.tracePt];null==d&&(d=this.trace[this.tracePt]=new JU.P3);d.setT(b)}return this.trace},"~N,JU.Point3fi");F(c$,"twoPI",6.283185307179586,"TYPE_VIBRATION",-1,"TYPE_SPIN",-2)});u("JV");x(["J.api.EventManager","JU.Rectangle", -"JV.MouseState"],["JV.MotionPoint","$.ActionManager","$.Gesture"],"java.lang.Float JU.AU $.PT J.api.Interface J.i18n.GT JS.SV $.ScriptEval J.thread.HoverWatcherThread JU.BSUtil $.Escape $.Logger $.Point3fi JV.Viewer JV.binding.Binding $.JmolBinding".split(" "),function(){c$=t(function(){this.vwr=null;this.isMultiTouch=this.haveMultiTouchInput=!1;this.predragBinding=this.rasmolBinding=this.dragBinding=this.pfaatBinding=this.jmolBinding=this.b=null;this.LEFT_DRAGGED=this.LEFT_CLICKED=0;this.dragGesture= -this.hoverWatcherThread=null;this.apm=1;this.pickingStyleSelect=this.pickingStyle=this.bondPickingMode=0;this.pickingStyleMeasure=5;this.rootPickingStyle=0;this.mouseDragFactor=this.gestureSwipeFactor=1;this.mouseWheelFactor=1.15;this.dragged=this.pressed=this.clicked=this.moved=this.current=null;this.clickedCount=this.pressedCount=0;this.dragSelectedMode=this.labelMode=this.drawMode=!1;this.measuresEnabled=!0;this.hoverActive=this.haveSelection=!1;this.mp=null;this.dragAtomIndex=-1;this.rubberbandSelectionMode= -this.mkBondPressed=!1;this.rectRubber=null;this.isAltKeyReleased=!0;this.isMultiTouchServer=this.isMultiTouchClient=this.keyProcessing=!1;this.clickAction=this.dragAction=this.pressAction=0;this.measurementQueued=null;this.selectionWorking=this.zoomTrigger=!1;s(this,arguments)},JV,"ActionManager",null,J.api.EventManager);O(c$,function(){this.current=new JV.MouseState("current");this.moved=new JV.MouseState("moved");this.clicked=new JV.MouseState("clicked");this.pressed=new JV.MouseState("pressed"); -this.dragged=new JV.MouseState("dragged");this.rectRubber=new JU.Rectangle});c(c$,"setViewer",function(a){this.vwr=a;JV.Viewer.isJS||this.createActions();this.setBinding(this.jmolBinding=new JV.binding.JmolBinding);this.LEFT_CLICKED=JV.binding.Binding.getMouseAction(1,16,2);this.LEFT_DRAGGED=JV.binding.Binding.getMouseAction(1,16,1);this.dragGesture=new JV.Gesture(20,a)},"JV.Viewer,~S");c(c$,"checkHover",function(){if(this.zoomTrigger)this.zoomTrigger=!1,8==this.vwr.currentCursor&&this.vwr.setCursor(0), -this.vwr.setInMotion(!1);else if(!this.vwr.getInMotion(!0)&&!this.vwr.tm.spinOn&&!this.vwr.tm.navOn&&!this.vwr.checkObjectHovered(this.current.x,this.current.y)){var a=this.vwr.findNearestAtomIndex(this.current.x,this.current.y);if(!(0>a)){var b=2==this.apm&&this.bnd(JV.binding.Binding.getMouseAction(this.clickedCount,this.moved.modifiers,1),[10]);this.vwr.hoverOn(a,b)}}});c(c$,"processMultitouchEvent",function(){},"~N,~N,~N,~N,JU.P3,~N");c(c$,"bind",function(a,b){var d=JV.ActionManager.getActionFromName(b), -c=JV.binding.Binding.getMouseActionStr(a);0!=c&&(0<=d?this.b.bindAction(c,d):this.b.bindName(c,b))},"~S,~S");c(c$,"clearBindings",function(){this.setBinding(this.jmolBinding=new JV.binding.JmolBinding);this.rasmolBinding=this.dragBinding=this.pfaatBinding=null});c(c$,"unbindAction",function(a,b){if(null==a&&null==b)this.clearBindings();else{var d=JV.ActionManager.getActionFromName(b),c=JV.binding.Binding.getMouseActionStr(a);0<=d?this.b.unbindAction(c,d):0!=c&&this.b.unbindName(c,b);null==b&&this.b.unbindUserAction(a)}}, -"~S,~S");c$.newAction=c(c$,"newAction",function(a,b,d){JV.ActionManager.actionInfo[a]=d;JV.ActionManager.actionNames[a]=b},"~N,~S,~S");c(c$,"createActions",function(){null==JV.ActionManager.actionInfo[0]&&(JV.ActionManager.newAction(0,"_assignNew",J.i18n.GT.o(J.i18n.GT.$("assign/new atom or bond (requires {0})"),"set picking assignAtom_??/assignBond_?")),JV.ActionManager.newAction(1,"_center",J.i18n.GT.$("center")),JV.ActionManager.newAction(2,"_clickFrank",J.i18n.GT.$("pop up recent context menu (click on Jmol frank)")), -JV.ActionManager.newAction(4,"_deleteAtom",J.i18n.GT.o(J.i18n.GT.$("delete atom (requires {0})"),"set picking DELETE ATOM")),JV.ActionManager.newAction(5,"_deleteBond",J.i18n.GT.o(J.i18n.GT.$("delete bond (requires {0})"),"set picking DELETE BOND")),JV.ActionManager.newAction(6,"_depth",J.i18n.GT.o(J.i18n.GT.$("adjust depth (back plane; requires {0})"),"SLAB ON")),JV.ActionManager.newAction(7,"_dragAtom",J.i18n.GT.o(J.i18n.GT.$("move atom (requires {0})"),"set picking DRAGATOM")),JV.ActionManager.newAction(8, -"_dragDrawObject",J.i18n.GT.o(J.i18n.GT.$("move whole DRAW object (requires {0})"),"set picking DRAW")),JV.ActionManager.newAction(9,"_dragDrawPoint",J.i18n.GT.o(J.i18n.GT.$("move specific DRAW point (requires {0})"),"set picking DRAW")),JV.ActionManager.newAction(10,"_dragLabel",J.i18n.GT.o(J.i18n.GT.$("move label (requires {0})"),"set picking LABEL")),JV.ActionManager.newAction(11,"_dragMinimize",J.i18n.GT.o(J.i18n.GT.$("move atom and minimize molecule (requires {0})"),"set picking DRAGMINIMIZE")), -JV.ActionManager.newAction(12,"_dragMinimizeMolecule",J.i18n.GT.o(J.i18n.GT.$("move and minimize molecule (requires {0})"),"set picking DRAGMINIMIZEMOLECULE")),JV.ActionManager.newAction(13,"_dragSelected",J.i18n.GT.o(J.i18n.GT.$("move selected atoms (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(14,"_dragZ",J.i18n.GT.o(J.i18n.GT.$("drag atoms in Z direction (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(15,"_multiTouchSimulation",J.i18n.GT.$("simulate multi-touch using the mouse)")), -JV.ActionManager.newAction(16,"_navTranslate",J.i18n.GT.o(J.i18n.GT.$("translate navigation point (requires {0} and {1})"),v(-1,["set NAVIGATIONMODE","set picking NAVIGATE"]))),JV.ActionManager.newAction(17,"_pickAtom",J.i18n.GT.$("pick an atom")),JV.ActionManager.newAction(3,"_pickConnect",J.i18n.GT.o(J.i18n.GT.$("connect atoms (requires {0})"),"set picking CONNECT")),JV.ActionManager.newAction(18,"_pickIsosurface",J.i18n.GT.o(J.i18n.GT.$("pick an ISOSURFACE point (requires {0}"),"set DRAWPICKING")), -JV.ActionManager.newAction(19,"_pickLabel",J.i18n.GT.o(J.i18n.GT.$("pick a label to toggle it hidden/displayed (requires {0})"),"set picking LABEL")),JV.ActionManager.newAction(20,"_pickMeasure",J.i18n.GT.o(J.i18n.GT.$("pick an atom to include it in a measurement (after starting a measurement or after {0})"),"set picking DISTANCE/ANGLE/TORSION")),JV.ActionManager.newAction(21,"_pickNavigate",J.i18n.GT.o(J.i18n.GT.$("pick a point or atom to navigate to (requires {0})"),"set NAVIGATIONMODE")),JV.ActionManager.newAction(22, -"_pickPoint",J.i18n.GT.o(J.i18n.GT.$("pick a DRAW point (for measurements) (requires {0}"),"set DRAWPICKING")),JV.ActionManager.newAction(23,"_popupMenu",J.i18n.GT.$("pop up the full context menu")),JV.ActionManager.newAction(24,"_reset",J.i18n.GT.$("reset (when clicked off the model)")),JV.ActionManager.newAction(25,"_rotate",J.i18n.GT.$("rotate")),JV.ActionManager.newAction(26,"_rotateBranch",J.i18n.GT.o(J.i18n.GT.$("rotate branch around bond (requires {0})"),"set picking ROTATEBOND")),JV.ActionManager.newAction(27, -"_rotateSelected",J.i18n.GT.o(J.i18n.GT.$("rotate selected atoms (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(28,"_rotateZ",J.i18n.GT.$("rotate Z")),JV.ActionManager.newAction(29,"_rotateZorZoom",J.i18n.GT.$("rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)")),JV.ActionManager.newAction(30,"_select",J.i18n.GT.o(J.i18n.GT.$("select an atom (requires {0})"),"set pickingStyle EXTENDEDSELECT")),JV.ActionManager.newAction(31,"_selectAndDrag",J.i18n.GT.o(J.i18n.GT.$("select and drag atoms (requires {0})"), -"set DRAGSELECTED")),JV.ActionManager.newAction(32,"_selectAndNot",J.i18n.GT.o(J.i18n.GT.$("unselect this group of atoms (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT")),JV.ActionManager.newAction(33,"_selectNone",J.i18n.GT.o(J.i18n.GT.$("select NONE (requires {0})"),"set pickingStyle EXTENDEDSELECT")),JV.ActionManager.newAction(34,"_selectOr",J.i18n.GT.o(J.i18n.GT.$("add this group of atoms to the set of selected atoms (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT")),JV.ActionManager.newAction(35, -"_selectToggle",J.i18n.GT.o(J.i18n.GT.$("toggle selection (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT/RASMOL")),JV.ActionManager.newAction(36,"_selectToggleOr",J.i18n.GT.o(J.i18n.GT.$("if all are selected, unselect all, otherwise add this group of atoms to the set of selected atoms (requires {0})"),"set pickingStyle DRAG")),JV.ActionManager.newAction(37,"_setMeasure",J.i18n.GT.$("pick an atom to initiate or conclude a measurement")),JV.ActionManager.newAction(38,"_slab",J.i18n.GT.o(J.i18n.GT.$("adjust slab (front plane; requires {0})"), -"SLAB ON")),JV.ActionManager.newAction(39,"_slabAndDepth",J.i18n.GT.o(J.i18n.GT.$("move slab/depth window (both planes; requires {0})"),"SLAB ON")),JV.ActionManager.newAction(40,"_slideZoom",J.i18n.GT.$("zoom (along right edge of window)")),JV.ActionManager.newAction(41,"_spinDrawObjectCCW",J.i18n.GT.o(J.i18n.GT.$("click on two points to spin around axis counterclockwise (requires {0})"),"set picking SPIN")),JV.ActionManager.newAction(42,"_spinDrawObjectCW",J.i18n.GT.o(J.i18n.GT.$("click on two points to spin around axis clockwise (requires {0})"), -"set picking SPIN")),JV.ActionManager.newAction(43,"_stopMotion",J.i18n.GT.o(J.i18n.GT.$("stop motion (requires {0})"),"set waitForMoveTo FALSE")),JV.ActionManager.newAction(44,"_swipe",J.i18n.GT.$("spin model (swipe and release button and stop motion simultaneously)")),JV.ActionManager.newAction(45,"_translate",J.i18n.GT.$("translate")),JV.ActionManager.newAction(46,"_wheelZoom",J.i18n.GT.$("zoom")))});c$.getActionName=c(c$,"getActionName",function(a){return aa||a>=JV.ActionManager.pickingModeNames.length?"off":JV.ActionManager.pickingModeNames[a]},"~N");c$.getPickingMode=c(c$,"getPickingMode",function(a){for(var b=JV.ActionManager.pickingModeNames.length;0<=--b;)if(a.equalsIgnoreCase(JV.ActionManager.pickingModeNames[b]))return b; -return-1},"~S");c$.getPickingStyleName=c(c$,"getPickingStyleName",function(a){return 0>a||a>=JV.ActionManager.pickingStyleNames.length?"toggle":JV.ActionManager.pickingStyleNames[a]},"~N");c$.getPickingStyleIndex=c(c$,"getPickingStyleIndex",function(a){for(var b=JV.ActionManager.pickingStyleNames.length;0<=--b;)if(a.equalsIgnoreCase(JV.ActionManager.pickingStyleNames[b]))return b;return-1},"~S");c(c$,"getAtomPickingMode",function(){return this.apm});c(c$,"setPickingMode",function(a){var b=!1;switch(a){case -1:b= -!0;this.bondPickingMode=35;a=1;this.vwr.setStringProperty("pickingStyle","toggle");this.vwr.setBooleanProperty("bondPicking",!1);break;case 35:case 34:case 33:case 8:this.vwr.setBooleanProperty("bondPicking",!0);this.bondPickingMode=a;this.resetMeasurement();return}b=(new Boolean(b|this.apm!=a)).valueOf();this.apm=a;b&&this.resetMeasurement()},"~N");c(c$,"getPickingState",function(){var a=";set modelkitMode "+this.vwr.getBoolean(603983903)+";set picking "+JV.ActionManager.getPickingModeName(this.apm); -32==this.apm&&(a+="_"+this.vwr.getModelkitProperty("atomType"));a+=";";0!=this.bondPickingMode&&(a+="set picking "+JV.ActionManager.getPickingModeName(this.bondPickingMode));33==this.bondPickingMode&&(a+="_"+this.vwr.getModelkitProperty("bondType"));return a+";"});c(c$,"getPickingStyle",function(){return this.pickingStyle});c(c$,"setPickingStyle",function(a){this.pickingStyle=a;4<=a?(this.pickingStyleMeasure=a,this.resetMeasurement()):(3>a&&(this.rootPickingStyle=a),this.pickingStyleSelect=a);this.rubberbandSelectionMode= -!1;switch(this.pickingStyleSelect){case 2:this.b.name.equals("extendedSelect")||this.setBinding(null==this.pfaatBinding?this.pfaatBinding=JV.binding.Binding.newBinding(this.vwr,"Pfaat"):this.pfaatBinding);break;case 3:this.b.name.equals("drag")||this.setBinding(null==this.dragBinding?this.dragBinding=JV.binding.Binding.newBinding(this.vwr,"Drag"):this.dragBinding);this.rubberbandSelectionMode=!0;break;case 1:this.b.name.equals("selectOrToggle")||this.setBinding(null==this.rasmolBinding?this.rasmolBinding= -JV.binding.Binding.newBinding(this.vwr,"Rasmol"):this.rasmolBinding);break;default:this.b!==this.jmolBinding&&this.setBinding(this.jmolBinding)}this.b.name.equals("drag")||(this.predragBinding=this.b)},"~N");c(c$,"setGestureSwipeFactor",function(a){this.gestureSwipeFactor=a},"~N");c(c$,"setMouseDragFactor",function(a){this.mouseDragFactor=a},"~N");c(c$,"setMouseWheelFactor",function(a){this.mouseWheelFactor=a},"~N");c(c$,"isDraggedIsShiftDown",function(){return 0!=(this.dragged.modifiers&1)});c(c$, -"setCurrent",function(a,b,d,c){this.vwr.hoverOff();this.current.set(a,b,d,c)},"~N,~N,~N,~N");c(c$,"getCurrentX",function(){return this.current.x});c(c$,"getCurrentY",function(){return this.current.y});c(c$,"setMouseMode",function(){this.drawMode=this.labelMode=!1;this.dragSelectedMode=this.vwr.getDragSelected();this.measuresEnabled=!this.dragSelectedMode;if(!this.dragSelectedMode)switch(this.apm){default:return;case 32:this.measuresEnabled=!this.vwr.getModelkit(!1).isPickAtomAssignCharge();return; -case 4:this.drawMode=!0;this.measuresEnabled=!1;break;case 2:this.labelMode=!0;this.measuresEnabled=!1;break;case 9:this.measuresEnabled=!1;break;case 19:case 22:case 20:case 21:this.measuresEnabled=!1;return}this.exitMeasurementMode(null)});c(c$,"clearMouseInfo",function(){this.pressedCount=this.clickedCount=0;this.dragGesture.setAction(0,0);this.exitMeasurementMode(null)});c(c$,"setDragAtomIndex",function(a){this.dragAtomIndex=a;this.setAtomsPicked(JU.BSUtil.newAndSetBit(a),"Label picked for atomIndex = "+ -a)},"~N");c(c$,"isMTClient",function(){return this.isMultiTouchClient});c(c$,"isMTServer",function(){return this.isMultiTouchServer});c(c$,"dispose",function(){this.clear()});c(c$,"clear",function(){this.startHoverWatcher(!1);null!=this.predragBinding&&(this.b=this.predragBinding);this.vwr.setPickingMode(null,1);this.vwr.setPickingStyle(null,this.rootPickingStyle);this.isAltKeyReleased=!0});c(c$,"startHoverWatcher",function(a){if(!this.vwr.isPreviewOnly)try{a?null==this.hoverWatcherThread&&(this.current.time= --1,this.hoverWatcherThread=new J.thread.HoverWatcherThread(this,this.current,this.moved,this.vwr)):null!=this.hoverWatcherThread&&(this.current.time=-1,this.hoverWatcherThread.interrupt(),this.hoverWatcherThread=null)}catch(b){if(!E(b,Exception))throw b;}},"~B");c(c$,"setModeMouse",function(a){-1==a&&this.startHoverWatcher(!1)},"~N");j(c$,"keyPressed",function(a,b){if(this.keyProcessing)return!1;this.keyProcessing=!0;switch(a){case 18:this.dragSelectedMode&&this.isAltKeyReleased&&this.vwr.moveSelected(-2147483648, -0,-2147483648,-2147483648,-2147483648,null,!1,!1,b);this.isAltKeyReleased=!1;this.moved.modifiers|=8;break;case 16:this.dragged.modifiers|=1;this.moved.modifiers|=1;break;case 17:this.moved.modifiers|=2;break;case 27:this.vwr.hoverOff();this.exitMeasurementMode("escape");break;default:this.vwr.hoverOff()}var d=8464|this.moved.modifiers;!this.labelMode&&!this.b.isUserAction(d)&&this.checkMotionRotateZoom(d,this.current.x,0,0,!1);if(this.vwr.getBoolean(603979889))switch(a){case 38:case 40:case 37:case 39:case 32:case 46:this.vwr.navigate(a, -b)}this.keyProcessing=!1;return!0},"~N,~N");j(c$,"keyTyped",function(){return!1},"~N,~N");j(c$,"keyReleased",function(a){switch(a){case 18:this.moved.modifiers&=-9;this.dragSelectedMode&&this.vwr.moveSelected(2147483647,0,-2147483648,-2147483648,-2147483648,null,!1,!1,this.moved.modifiers);this.isAltKeyReleased=!0;break;case 16:this.moved.modifiers&=-2;break;case 17:this.moved.modifiers&=-3}0==this.moved.modifiers&&this.vwr.setCursor(0);if(this.vwr.getBoolean(603979889))switch(a){case 38:case 40:case 37:case 39:this.vwr.navigate(0, -0)}},"~N");j(c$,"mouseEnterExit",function(a,b,d,c){this.vwr.tm.stereoDoubleDTI&&(b<<=1);this.setCurrent(a,b,d,0);c&&this.exitMeasurementMode("mouseExit")},"~N,~N,~N,~B");c(c$,"setMouseActions",function(a,b,d){this.pressAction=JV.binding.Binding.getMouseAction(a,b,d?5:4);this.dragAction=JV.binding.Binding.getMouseAction(a,b,1);this.clickAction=JV.binding.Binding.getMouseAction(a,b,2)},"~N,~N,~B");j(c$,"mouseAction",function(a,b,d,c,f,e){if(this.vwr.getMouseEnabled())switch(JU.Logger.debuggingHigh&& -(0!=a&&this.vwr.getBoolean(603979960))&&this.vwr.showString("mouse action: "+a+" "+e+" "+JV.binding.Binding.getMouseActionName(JV.binding.Binding.getMouseAction(f,e,a),!1),!1),this.vwr.tm.stereoDoubleDTI&&(d<<=1),a){case 0:this.setCurrent(b,d,c,e);this.moved.setCurrent(this.current,0);if(null!=this.mp||this.hoverActive){this.clickAction=JV.binding.Binding.getMouseAction(this.clickedCount,e,0);this.checkClickAction(d,c,b,0);break}if(this.isZoomArea(d)){this.checkMotionRotateZoom(this.LEFT_DRAGGED, -0,0,0,!1);break}8==this.vwr.currentCursor&&this.vwr.setCursor(0);break;case 4:this.setMouseMode();this.pressedCount=this.pressed.check(20,d,c,e,b,700)?this.pressedCount+1:1;1==this.pressedCount&&(this.vwr.checkInMotion(1),this.setCurrent(b,d,c,e));this.pressAction=JV.binding.Binding.getMouseAction(this.pressedCount,e,4);this.vwr.setCursor(12);this.pressed.setCurrent(this.current,1);this.dragged.setCurrent(this.current,1);this.vwr.setFocus();this.dragGesture.setAction(this.dragAction,b);this.checkPressedAction(d, -c,b);break;case 1:this.setMouseMode();this.setMouseActions(this.pressedCount,e,!1);a=d-this.dragged.x;f=c-this.dragged.y;this.setCurrent(b,d,c,e);this.dragged.setCurrent(this.current,-1);this.dragGesture.add(this.dragAction,d,c,b);this.checkDragWheelAction(this.dragAction,d,c,a,f,b,1);break;case 5:this.setMouseActions(this.pressedCount,e,!0);this.setCurrent(b,d,c,e);this.vwr.spinXYBy(0,0,0);e=!this.pressed.check(10,d,c,e,b,9223372036854775E3);this.checkReleaseAction(d,c,b,e);break;case 3:if(this.vwr.isApplet&& -!this.vwr.hasFocus())break;this.setCurrent(b,this.current.x,this.current.y,e);this.checkDragWheelAction(JV.binding.Binding.getMouseAction(0,e,3),this.current.x,this.current.y,0,c,b,3);break;case 2:this.setMouseMode();this.clickedCount=1b||(1==this.dragGesture.getPointCount()?this.vwr.undoMoveActionClear(b,2,!0):this.vwr.moveSelected(2147483647,0, --2147483648,-2147483648,-2147483648,null,!1,!1,j),this.dragSelected(a,c,f,!1));else{if(this.isDrawOrLabelAction(a)&&(this.setMotion(13,!0),this.vwr.checkObjectDragged(this.dragged.x,this.dragged.y,b,d,a)))return;if(this.checkMotionRotateZoom(a,b,c,f,!0))this.vwr.tm.slabEnabled&&this.bnd(a,[39])?this.vwr.slabDepthByPixels(f):this.vwr.zoomBy(f);else if(this.bnd(a,[25]))this.vwr.rotateXYBy(this.getDegrees(c,!0),this.getDegrees(f,!1));else if(this.bnd(a,[29]))0==c&&1this.dragAtomIndex?this.exitMeasurementMode(null):34==this.bondPickingMode?(this.vwr.setModelkitProperty("bondAtomIndex",Integer.$valueOf(this.dragAtomIndex)),this.exitMeasurementMode(null)):this.assignNew(a,b);else if(this.dragAtomIndex=-1,this.mkBondPressed=!1,this.isRubberBandSelect(this.dragAction)&& -this.selectRb(this.clickAction),this.rubberbandSelectionMode=this.b.name.equals("drag"),this.rectRubber.x=2147483647,c&&this.vwr.notifyMouseClicked(a,b,JV.binding.Binding.getMouseAction(this.pressedCount,0,5),5),this.isDrawOrLabelAction(this.dragAction))this.vwr.checkObjectDragged(2147483647,0,a,b,this.dragAction);else if(this.haveSelection&&(this.dragSelectedMode&&this.bnd(this.dragAction,[13]))&&this.vwr.moveSelected(2147483647,0,-2147483648,-2147483648,-2147483648,null,!1,!1,this.dragged.modifiers), -(!c||!this.checkUserAction(this.pressAction,a,b,0,0,d,5))&&this.vwr.getBoolean(603979780)&&this.bnd(this.dragAction,[44]))a=this.getExitRate(),0j&&this.reset()}}},"~N,~N,~N,~N");c(c$,"pickLabel",function(a){var b=this.vwr.ms.at[a].atomPropertyString(this.vwr,1825200146);2==this.pressedCount?(b=this.vwr.apiPlatform.prompt("Set label for atomIndex="+ -a,b,null,!1),null!=b&&(this.vwr.shm.setAtomLabel(b,a),this.vwr.refresh(1,"label atom"))):this.setAtomsPicked(JU.BSUtil.newAndSetBit(a),"Label picked for atomIndex = "+a+": "+b)},"~N");c(c$,"checkUserAction",function(a,b,d,c,f,e,h){if(!this.b.isUserAction(a))return!1;for(var j=!1,l,r=this.b.getBindings(),m=a+"\t",q,p=r.keySet().iterator();p.hasNext()&&((q=p.next())||1);)if(0==q.indexOf(m)&&JU.AU.isAS(l=r.get(q))){var n=l[1],s=null;if(0<=n.indexOf("_ATOM")){var t=this.findNearestAtom(b,d,null,!0),n= -JU.PT.rep(n,"_ATOM","({"+(0<=t?""+t:"")+"})");0<=t&&(n=JU.PT.rep(n,"_POINT",JU.Escape.eP(this.vwr.ms.at[t])))}if(!this.drawMode&&(0<=n.indexOf("_POINT")||0<=n.indexOf("_OBJECT")||0<=n.indexOf("_BOND"))){t=this.vwr.checkObjectClicked(b,d,a);if(null!=t&&null!=(s=t.get("pt")))t.get("type").equals("bond")&&(n=JU.PT.rep(n,"_BOND","[{"+t.get("index")+"}]")),n=JU.PT.rep(n,"_POINT",JU.Escape.eP(s)),n=JU.PT.rep(n,"_OBJECT",JU.Escape.escapeMap(t));n=JU.PT.rep(n,"_BOND","[{}]");n=JU.PT.rep(n,"_OBJECT","{}")}n= -JU.PT.rep(n,"_POINT","{}");n=JU.PT.rep(n,"_ACTION",""+a);n=JU.PT.rep(n,"_X",""+b);n=JU.PT.rep(n,"_Y",""+(this.vwr.getScreenHeight()-d));n=JU.PT.rep(n,"_DELTAX",""+c);n=JU.PT.rep(n,"_DELTAY",""+f);n=JU.PT.rep(n,"_TIME",""+e);n=JU.PT.rep(n,"_MODE",""+h);n.startsWith("+:")&&(j=!0,n=n.substring(2));this.vwr.evalStringQuiet(n)}return!j},"~N,~N,~N,~N,~N,~N,~N");c(c$,"checkMotionRotateZoom",function(a,b,d,c,f){b=this.bnd(a,[40])&&this.isZoomArea(this.pressed.x);var e=this.bnd(a,[25]),h=this.bnd(a,[29]); -if(!b&&!e&&!h)return!1;a=(d=h&&(0==d||Math.abs(c)>5*Math.abs(d)))||this.isZoomArea(this.moved.x)||this.bnd(a,[46])?8:e||h?13:this.bnd(a,[1])?12:0;this.setMotion(a,f);return d||b},"~N,~N,~N,~N,~B");c(c$,"getExitRate",function(){var a=this.dragGesture.getTimeDifference(2);return this.isMultiTouch?8098*this.vwr.getScreenWidth()*(this.vwr.tm.stereoDoubleFull||this.vwr.tm.stereoDoubleDTI?2:1)/100},"~N");c(c$,"getPoint",function(a){var b=new JU.Point3fi;b.setT(a.get("pt"));b.mi=a.get("modelIndex").intValue(); -return b},"java.util.Map");c(c$,"findNearestAtom",function(a,b,d,c){a=this.drawMode||null!=d?-1:this.vwr.findNearestAtomIndexMovable(a,b,!1);return 0<=a&&(c||null==this.mp)&&!this.vwr.slm.isInSelectionSubset(a)?-1:a},"~N,~N,JU.Point3fi,~B");c(c$,"isSelectAction",function(a){return this.bnd(a,[17])||!this.drawMode&&!this.labelMode&&1==this.apm&&this.bnd(a,[1])||this.dragSelectedMode&&this.bnd(this.dragAction,[27,13])||this.bnd(a,[22,35,32,34,36,30])},"~N");c(c$,"enterMeasurementMode",function(a){this.vwr.setPicked(a, -!0);this.vwr.setCursor(1);this.vwr.setPendingMeasurement(this.mp=this.getMP());this.measurementQueued=this.mp},"~N");c(c$,"getMP",function(){return J.api.Interface.getInterface("JM.MeasurementPending",this.vwr,"mouse").set(this.vwr.ms)});c(c$,"addToMeasurement",function(a,b,d){if(-1==a&&null==b||null==this.mp)return this.exitMeasurementMode(null),0;var c=this.mp.count;-2147483648!=this.mp.traceX&&2==c&&this.mp.setCount(c=1);return 4==c&&!d?c:this.mp.addPoint(a,b,!0)},"~N,JU.Point3fi,~B");c(c$,"resetMeasurement", -function(){this.exitMeasurementMode(null);this.measurementQueued=this.getMP()});c(c$,"exitMeasurementMode",function(a){null!=this.mp&&(this.vwr.setPendingMeasurement(this.mp=null),this.vwr.setCursor(0),null!=a&&this.vwr.refresh(3,a))},"~S");c(c$,"getSequence",function(){var a=this.measurementQueued.getAtomIndex(1),b=this.measurementQueued.getAtomIndex(2);if(!(0>a||0>b))try{var d=this.vwr.getSmilesOpt(null,a,b,1048576,null);this.vwr.setStatusMeasuring("measureSequence",-2,d,0)}catch(c){if(E(c,Exception))JU.Logger.error(c.toString()); -else throw c;}});c(c$,"minimize",function(a){var b=this.dragAtomIndex;a&&(this.dragAtomIndex=-1,this.mkBondPressed=!1);this.vwr.dragMinimizeAtom(b)},"~B");c(c$,"queueAtom",function(a,b){var d=this.measurementQueued.addPoint(a,b,!0);0<=a&&this.vwr.setStatusAtomPicked(a,"Atom 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e=f.m00*a+f.m01*b+f.m02*d+f.m03,h=f.m10*a+f.m11*b+f.m12*d+f.m13;a=f.m20*a+f.m21*b+f.m22*d+f.m23;c=Math.min(c/2,45)/Math.sqrt(e*e+h*h+a*a);e=A(-e*c);h=A(-h*c);c=A(a*c);if(a=-20>e||20<=e||-20>h||20<=h||0>c||40<=c){for(;0==e%2&&0==h%2&&0==c%2&&0>=1,h>>=1,c>>=1;a=-20>e||20<=e||-20>h||20<=h||0>c||40<=c}a?this.nOut++:this.nIn++;return a?this.getShadeIndex(e,h,c):this.ellipsoidShades[e+20][h+ +20][c]},"~N,~N,~N,~N,JU.M4");c(c$,"createEllipsoidShades",function(){this.ellipsoidShades=P(40,40,40,0);for(var a=0;40>a;a++)for(var b=0;40>b;b++)for(var d=0;40>d;d++)this.ellipsoidShades[a][b][d]=this.getShadeIndex(a-20,b-20,d)});F(c$,"SHADE_INDEX_MAX",64,"SHADE_INDEX_LAST",63,"SHADE_INDEX_NORMAL",52,"SHADE_INDEX_NOISY_LIMIT",56,"SLIM",20,"SDIM",40,"maxSphereCache",128)});s("JU");u(null,"JU.SimpleUnitCell","java.lang.Float JU.AU $.M4 $.P3 $.P4 $.PT $.V3 JU.Escape".split(" "),function(){c$=t(function(){this.matrixFractionalToCartesian= +this.matrixCartesianToFractional=this.unitCellParams=null;this.dimension=this.c_=this.b_=this.a_=this.cB_=this.cA_=this.sinGamma=this.cosGamma=this.sinBeta=this.cosBeta=this.sinAlpha=this.cosAlpha=this.gamma=this.beta=this.alpha=this.c=this.b=this.a=this.nc=this.nb=this.na=this.volume=0;this.matrixFtoCNoOffset=this.matrixCtoFNoOffset=this.fractionalOrigin=null;n(this,arguments)},JU,"SimpleUnitCell");c(c$,"isSupercell",function(){return 1=this.a){var e=JU.V3.new3(a[6],a[7],a[8]),h=JU.V3.new3(a[9],a[10],a[11]),j=JU.V3.new3(a[12],a[13],a[14]);this.setABC(e,h,j);0>this.c&&(a=JU.AU.arrayCopyF(a,-1),0>this.b&&(h.set(0,0,1),h.cross(h,e),0.001>h.length()&&h.set(0,1,0),h.normalize(),a[9]=h.x,a[10]=h.y,a[11]=h.z), +0>this.c&&(j.cross(e,h),j.normalize(),a[12]=j.x,a[13]=j.y,a[14]=j.z))}this.a*=d;0>=this.b?this.dimension=this.b=this.c=1:0>=this.c?(this.c=1,this.b*=c,this.dimension=2):(this.b*=c,this.c*=f,this.dimension=3);this.setCellParams();if(21e;e++){switch(e%4){case 0:h=d;break;case 1:h=c;break;case 2:h=f;break;default:h=1}b[e]=a[6+e]*h}this.matrixCartesianToFractional=JU.M4.newA16(b);this.matrixCartesianToFractional.getTranslation(this.fractionalOrigin); +this.matrixFractionalToCartesian=JU.M4.newM4(this.matrixCartesianToFractional).invert();1==a[0]&&this.setParamsFromMatrix()}else 14this.b||0>this.c?90:b.angle(d)/0.017453292,this.beta=0>this.c?90:a.angle(d)/0.017453292,this.gamma= +0>this.b?90:a.angle(b)/0.017453292)},"JU.V3,JU.V3,JU.V3");c(c$,"setCellParams",function(){this.cosAlpha=Math.cos(0.017453292*this.alpha);this.sinAlpha=Math.sin(0.017453292*this.alpha);this.cosBeta=Math.cos(0.017453292*this.beta);this.sinBeta=Math.sin(0.017453292*this.beta);this.cosGamma=Math.cos(0.017453292*this.gamma);this.sinGamma=Math.sin(0.017453292*this.gamma);var a=Math.sqrt(this.sinAlpha*this.sinAlpha+this.sinBeta*this.sinBeta+this.sinGamma*this.sinGamma+2*this.cosAlpha*this.cosBeta*this.cosGamma- +2);this.volume=this.a*this.b*this.c*a;this.cA_=(this.cosAlpha-this.cosBeta*this.cosGamma)/this.sinGamma;this.cB_=a/this.sinGamma;this.a_=this.b*this.c*this.sinAlpha/this.volume;this.b_=this.a*this.c*this.sinBeta/this.volume;this.c_=this.a*this.b*this.sinGamma/this.volume});c(c$,"getFractionalOrigin",function(){return this.fractionalOrigin});c(c$,"toSupercell",function(a){a.x/=this.na;a.y/=this.nb;a.z/=this.nc;return a},"JU.P3");c(c$,"toCartesian",function(a,b){null!=this.matrixFractionalToCartesian&& +(b?this.matrixFtoCNoOffset:this.matrixFractionalToCartesian).rotTrans(a)},"JU.T3,~B");c(c$,"toFractionalM",function(a){null!=this.matrixCartesianToFractional&&(a.mul(this.matrixFractionalToCartesian),a.mul2(this.matrixCartesianToFractional,a))},"JU.M4");c(c$,"toFractional",function(a,b){null!=this.matrixCartesianToFractional&&(b?this.matrixCtoFNoOffset:this.matrixCartesianToFractional).rotTrans(a)},"JU.T3,~B");c(c$,"isPolymer",function(){return 1==this.dimension});c(c$,"isSlab",function(){return 2== +this.dimension});c(c$,"getUnitCellParams",function(){return this.unitCellParams});c(c$,"getUnitCellAsArray",function(a){var b=this.matrixFractionalToCartesian;return a?H(-1,[b.m00,b.m10,b.m20,b.m01,b.m11,b.m21,b.m02,b.m12,b.m22]):H(-1,[this.a,this.b,this.c,this.alpha,this.beta,this.gamma,b.m00,b.m10,b.m20,b.m01,b.m11,b.m21,b.m02,b.m12,b.m22,this.dimension,this.volume])},"~B");c(c$,"getInfo",function(a){switch(a){case 0:return this.a;case 1:return this.b;case 2:return this.c;case 3:return this.alpha; +case 4:return this.beta;case 5:return this.gamma;case 6:return this.dimension}return NaN},"~N");c$.ijkToPoint3f=c(c$,"ijkToPoint3f",function(a,b,d,c){var f=1E9=a.x||0.98<=a.x)b/=2;if(0.02>=a.y||0.98<=a.y)b/=2;if(0.02>=a.z||0.98<=a.z)b/=2;return b},"JU.P3");c$.getReciprocal=c(c$,"getReciprocal",function(a,b,d){var c=Array(4),f=4==a.length?1:0;c[0]=1==f?JU.P3.newP(a[0]):new JU.P3;for(var e=0;3>e;e++)c[e+1]=new JU.P3,c[e+1].cross(a[(e+f)%3+f],a[(e+f+1)%3+f]),c[e+1].scale(d/a[e+f].dot(c[e+1]));if(null==b)return c;for(e=0;4>e;e++)b[e]=c[e];return b},"~A,~A,~N"); +c$.setOabc=c(c$,"setOabc",function(a,b,d){if(null!=a&&(null==b&&(b=H(6,0)),a=JU.PT.split(a.$replace(",","="),"="),12<=a.length))for(var c=0;6>c;c++)b[c]=JU.PT.parseFloat(a[2*c+1]);if(null==d)return null;b=JU.SimpleUnitCell.newA(b).getUnitCellAsArray(!0);d[1].set(b[0],b[1],b[2]);d[2].set(b[3],b[4],b[5]);d[3].set(b[6],b[7],b[8]);return d},"~S,~A,~A");c$.setMinMaxLatticeParameters=c(c$,"setMinMaxLatticeParameters",function(a,b,d,c){if(d.x<=d.y&&555<=d.y){var f=new JU.P3;JU.SimpleUnitCell.ijkToPoint3f(d.x, +f,0,c);b.x=A(f.x);b.y=A(f.y);b.z=A(f.z);JU.SimpleUnitCell.ijkToPoint3f(d.y,f,1,c);d.x=A(f.x);d.y=A(f.y);d.z=A(f.z)}switch(a){case 1:b.y=0,d.y=1;case 2:b.z=0,d.z=1}},"~N,JU.P3i,JU.P3i,~N");j(c$,"toString",function(){return"["+this.a+" "+this.b+" "+this.c+" "+this.alpha+" "+this.beta+" "+this.gamma+"]"});F(c$,"toRadians",0.017453292,"INFO_DIMENSIONS",6,"INFO_GAMMA",5,"INFO_BETA",4,"INFO_ALPHA",3,"INFO_C",2,"INFO_B",1,"INFO_A",0,"SLOP",0.02,"SLOP1",0.98)});s("JU");u(null,"JU.TempArray",["java.lang.Boolean", +"$.Float","JU.P3","$.P3i"],function(){c$=t(function(){this.freeEnum=this.lengthsFreeEnum=this.freeScreens=this.lengthsFreeScreens=this.freePoints=this.lengthsFreePoints=null;n(this,arguments)},JU,"TempArray");O(c$,function(){this.lengthsFreePoints=z(6,0);this.freePoints=Array(6);this.lengthsFreeScreens=z(6,0);this.freeScreens=Array(6);this.lengthsFreeEnum=z(2,0);this.freeEnum=Array(2)});r(c$,function(){});c(c$,"clear",function(){this.clearTempPoints();this.clearTempScreens()});c$.findBestFit=c(c$, +"findBestFit",function(a,b){for(var d=-1,c=2147483647,f=b.length;0<=--f;){var e=b[f];e>=a&&ea;a++)this.lengthsFreePoints[a]=0,this.freePoints[a]=null});c(c$,"allocTempPoints",function(a){var b;b=JU.TempArray.findBestFit(a, +this.lengthsFreePoints);if(0a;a++)this.lengthsFreeScreens[a]=0,this.freeScreens[a]=null});c(c$,"allocTempScreens",function(a){var b; +b=JU.TempArray.findBestFit(a,this.lengthsFreeScreens);if(0b.indexOf("@{")&&0>b.indexOf("%{"))return b;var c=b,f=0<=c.indexOf("\\");f&&(c=JU.PT.rep(c,"\\%","\u0001"),c=JU.PT.rep(c,"\\@","\u0002"),f=!c.equals(b));for(var c=JU.PT.rep(c,"%{","@{"),e;0<=(d=c.indexOf("@{"));){d++;var h=d+1;e=c.length;for(var j=1,l="\x00", +n="\x00";0=e)return c;e=c.substring(h,d);if(0==e.length)return c;e=a.evaluateExpression(e);q(e,JU.P3)&&(e=JU.Escape.eP(e));c=c.substring(0,h-2)+e.toString()+c.substring(d+1)}f&&(c=JU.PT.rep(c,"\u0002","@"),c=JU.PT.rep(c,"\u0001","%"));return c},"J.api.JmolViewer,~S")});s("JU");u(["JU.V3"],"JU.Vibration",["JU.P3"],function(){c$=t(function(){this.modDim= +-1;this.modScale=NaN;this.showTrace=!1;this.trace=null;this.tracePt=0;n(this,arguments)},JU,"Vibration",JU.V3);c(c$,"setCalcPoint",function(a,b,d){switch(this.modDim){case -2:break;default:a.scaleAdd2(Math.cos(6.283185307179586*b.x)*d,this,a)}return a},"JU.T3,JU.T3,~N,~N");c(c$,"getInfo",function(a){a.put("vibVector",JU.V3.newV(this));a.put("vibType",-2==this.modDim?"spin":-1==this.modDim?"vib":"mod")},"java.util.Map");j(c$,"clone",function(){var a=new JU.Vibration;a.setT(this);a.modDim=this.modDim; +return a});c(c$,"setXYZ",function(a){this.setT(a)},"JU.T3");c(c$,"setType",function(a){this.modDim=a;return this},"~N");c(c$,"isNonzero",function(){return 0!=this.x||0!=this.y||0!=this.z});c(c$,"getOccupancy100",function(){return-2147483648},"~B");c(c$,"startTrace",function(a){this.trace=Array(a);this.tracePt=a},"~N");c(c$,"addTracePt",function(a,b){(null==this.trace||0==a||a!=this.trace.length)&&this.startTrace(a);if(null!=b&&2=--this.tracePt){for(var d=this.trace[this.trace.length-1],c= +this.trace.length;1<=--c;)this.trace[c]=this.trace[c-1];this.trace[1]=d;this.tracePt=1}d=this.trace[this.tracePt];null==d&&(d=this.trace[this.tracePt]=new JU.P3);d.setT(b)}return this.trace},"~N,JU.Point3fi");F(c$,"twoPI",6.283185307179586,"TYPE_VIBRATION",-1,"TYPE_SPIN",-2)});s("JV");u(["J.api.EventManager","JU.Rectangle","JV.MouseState"],["JV.MotionPoint","$.ActionManager","$.Gesture"],"java.lang.Float JU.AU $.PT J.api.Interface J.i18n.GT JS.SV $.ScriptEval J.thread.HoverWatcherThread JU.BSUtil $.Escape $.Logger $.Point3fi JV.Viewer JV.binding.Binding $.JmolBinding".split(" "), +function(){c$=t(function(){this.vwr=null;this.isMultiTouch=this.haveMultiTouchInput=!1;this.predragBinding=this.rasmolBinding=this.dragBinding=this.pfaatBinding=this.jmolBinding=this.b=null;this.LEFT_DRAGGED=this.LEFT_CLICKED=0;this.dragGesture=this.hoverWatcherThread=null;this.apm=1;this.pickingStyleSelect=this.pickingStyle=this.bondPickingMode=0;this.pickingStyleMeasure=5;this.rootPickingStyle=0;this.mouseDragFactor=this.gestureSwipeFactor=1;this.mouseWheelFactor=1.15;this.dragged=this.pressed= +this.clicked=this.moved=this.current=null;this.clickedCount=this.pressedCount=0;this.dragSelectedMode=this.labelMode=this.drawMode=!1;this.measuresEnabled=!0;this.hoverActive=this.haveSelection=!1;this.mp=null;this.dragAtomIndex=-1;this.rubberbandSelectionMode=this.mkBondPressed=!1;this.rectRubber=null;this.isAltKeyReleased=!0;this.isMultiTouchServer=this.isMultiTouchClient=this.keyProcessing=!1;this.clickAction=this.dragAction=this.pressAction=0;this.measurementQueued=null;this.selectionWorking= +this.zoomTrigger=!1;n(this,arguments)},JV,"ActionManager",null,J.api.EventManager);O(c$,function(){this.current=new JV.MouseState("current");this.moved=new JV.MouseState("moved");this.clicked=new JV.MouseState("clicked");this.pressed=new JV.MouseState("pressed");this.dragged=new JV.MouseState("dragged");this.rectRubber=new JU.Rectangle});c(c$,"setViewer",function(a){this.vwr=a;JV.Viewer.isJS||this.createActions();this.setBinding(this.jmolBinding=new JV.binding.JmolBinding);this.LEFT_CLICKED=JV.binding.Binding.getMouseAction(1, +16,2);this.LEFT_DRAGGED=JV.binding.Binding.getMouseAction(1,16,1);this.dragGesture=new JV.Gesture(20,a)},"JV.Viewer,~S");c(c$,"checkHover",function(){if(this.zoomTrigger)this.zoomTrigger=!1,8==this.vwr.currentCursor&&this.vwr.setCursor(0),this.vwr.setInMotion(!1);else if(!this.vwr.getInMotion(!0)&&!this.vwr.tm.spinOn&&!this.vwr.tm.navOn&&!this.vwr.checkObjectHovered(this.current.x,this.current.y)){var a=this.vwr.findNearestAtomIndex(this.current.x,this.current.y);if(!(0>a)){var b=2==this.apm&&this.bnd(JV.binding.Binding.getMouseAction(this.clickedCount, +this.moved.modifiers,1),[10]);this.vwr.hoverOn(a,b)}}});c(c$,"processMultitouchEvent",function(){},"~N,~N,~N,~N,JU.P3,~N");c(c$,"bind",function(a,b){var d=JV.ActionManager.getActionFromName(b),c=JV.binding.Binding.getMouseActionStr(a);0!=c&&(0<=d?this.b.bindAction(c,d):this.b.bindName(c,b))},"~S,~S");c(c$,"clearBindings",function(){this.setBinding(this.jmolBinding=new JV.binding.JmolBinding);this.rasmolBinding=this.dragBinding=this.pfaatBinding=null});c(c$,"unbindAction",function(a,b){if(null==a&& +null==b)this.clearBindings();else{var d=JV.ActionManager.getActionFromName(b),c=JV.binding.Binding.getMouseActionStr(a);0<=d?this.b.unbindAction(c,d):0!=c&&this.b.unbindName(c,b);null==b&&this.b.unbindUserAction(a)}},"~S,~S");c$.newAction=c(c$,"newAction",function(a,b,d){JV.ActionManager.actionInfo[a]=d;JV.ActionManager.actionNames[a]=b},"~N,~S,~S");c(c$,"createActions",function(){null==JV.ActionManager.actionInfo[0]&&(JV.ActionManager.newAction(0,"_assignNew",J.i18n.GT.o(J.i18n.GT.$("assign/new atom or bond (requires {0})"), +"set picking assignAtom_??/assignBond_?")),JV.ActionManager.newAction(1,"_center",J.i18n.GT.$("center")),JV.ActionManager.newAction(2,"_clickFrank",J.i18n.GT.$("pop up recent context menu (click on Jmol frank)")),JV.ActionManager.newAction(4,"_deleteAtom",J.i18n.GT.o(J.i18n.GT.$("delete atom (requires {0})"),"set picking DELETE ATOM")),JV.ActionManager.newAction(5,"_deleteBond",J.i18n.GT.o(J.i18n.GT.$("delete bond (requires {0})"),"set picking DELETE BOND")),JV.ActionManager.newAction(6,"_depth", +J.i18n.GT.o(J.i18n.GT.$("adjust depth (back plane; requires {0})"),"SLAB ON")),JV.ActionManager.newAction(7,"_dragAtom",J.i18n.GT.o(J.i18n.GT.$("move atom (requires {0})"),"set picking DRAGATOM")),JV.ActionManager.newAction(8,"_dragDrawObject",J.i18n.GT.o(J.i18n.GT.$("move whole DRAW object (requires {0})"),"set picking DRAW")),JV.ActionManager.newAction(9,"_dragDrawPoint",J.i18n.GT.o(J.i18n.GT.$("move specific DRAW point (requires {0})"),"set picking DRAW")),JV.ActionManager.newAction(10,"_dragLabel", +J.i18n.GT.o(J.i18n.GT.$("move label (requires {0})"),"set picking LABEL")),JV.ActionManager.newAction(11,"_dragMinimize",J.i18n.GT.o(J.i18n.GT.$("move atom and minimize molecule (requires {0})"),"set picking DRAGMINIMIZE")),JV.ActionManager.newAction(12,"_dragMinimizeMolecule",J.i18n.GT.o(J.i18n.GT.$("move and minimize molecule (requires {0})"),"set picking DRAGMINIMIZEMOLECULE")),JV.ActionManager.newAction(13,"_dragSelected",J.i18n.GT.o(J.i18n.GT.$("move selected atoms (requires {0})"),"set DRAGSELECTED")), +JV.ActionManager.newAction(14,"_dragZ",J.i18n.GT.o(J.i18n.GT.$("drag atoms in Z direction (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(15,"_multiTouchSimulation",J.i18n.GT.$("simulate multi-touch using the mouse)")),JV.ActionManager.newAction(16,"_navTranslate",J.i18n.GT.o(J.i18n.GT.$("translate navigation point (requires {0} and {1})"),w(-1,["set NAVIGATIONMODE","set picking NAVIGATE"]))),JV.ActionManager.newAction(17,"_pickAtom",J.i18n.GT.$("pick an atom")),JV.ActionManager.newAction(3, +"_pickConnect",J.i18n.GT.o(J.i18n.GT.$("connect atoms (requires {0})"),"set picking CONNECT")),JV.ActionManager.newAction(18,"_pickIsosurface",J.i18n.GT.o(J.i18n.GT.$("pick an ISOSURFACE point (requires {0}"),"set DRAWPICKING")),JV.ActionManager.newAction(19,"_pickLabel",J.i18n.GT.o(J.i18n.GT.$("pick a label to toggle it hidden/displayed (requires {0})"),"set picking LABEL")),JV.ActionManager.newAction(20,"_pickMeasure",J.i18n.GT.o(J.i18n.GT.$("pick an atom to include it in a measurement (after starting a measurement or after {0})"), +"set picking DISTANCE/ANGLE/TORSION")),JV.ActionManager.newAction(21,"_pickNavigate",J.i18n.GT.o(J.i18n.GT.$("pick a point or atom to navigate to (requires {0})"),"set NAVIGATIONMODE")),JV.ActionManager.newAction(22,"_pickPoint",J.i18n.GT.o(J.i18n.GT.$("pick a DRAW point (for measurements) (requires {0}"),"set DRAWPICKING")),JV.ActionManager.newAction(23,"_popupMenu",J.i18n.GT.$("pop up the full context menu")),JV.ActionManager.newAction(24,"_reset",J.i18n.GT.$("reset (when clicked off the model)")), +JV.ActionManager.newAction(25,"_rotate",J.i18n.GT.$("rotate")),JV.ActionManager.newAction(26,"_rotateBranch",J.i18n.GT.o(J.i18n.GT.$("rotate branch around bond (requires {0})"),"set picking ROTATEBOND")),JV.ActionManager.newAction(27,"_rotateSelected",J.i18n.GT.o(J.i18n.GT.$("rotate selected atoms (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(28,"_rotateZ",J.i18n.GT.$("rotate Z")),JV.ActionManager.newAction(29,"_rotateZorZoom",J.i18n.GT.$("rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)")), +JV.ActionManager.newAction(30,"_select",J.i18n.GT.o(J.i18n.GT.$("select an atom (requires {0})"),"set pickingStyle EXTENDEDSELECT")),JV.ActionManager.newAction(31,"_selectAndDrag",J.i18n.GT.o(J.i18n.GT.$("select and drag atoms (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(32,"_selectAndNot",J.i18n.GT.o(J.i18n.GT.$("unselect this group of atoms (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT")),JV.ActionManager.newAction(33,"_selectNone",J.i18n.GT.o(J.i18n.GT.$("select NONE (requires {0})"), +"set pickingStyle EXTENDEDSELECT")),JV.ActionManager.newAction(34,"_selectOr",J.i18n.GT.o(J.i18n.GT.$("add this group of atoms to the set of selected atoms (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT")),JV.ActionManager.newAction(35,"_selectToggle",J.i18n.GT.o(J.i18n.GT.$("toggle selection (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT/RASMOL")),JV.ActionManager.newAction(36,"_selectToggleOr",J.i18n.GT.o(J.i18n.GT.$("if all are selected, unselect all, otherwise add this group of atoms to the set of selected atoms (requires {0})"), +"set pickingStyle DRAG")),JV.ActionManager.newAction(37,"_setMeasure",J.i18n.GT.$("pick an atom to initiate or conclude a measurement")),JV.ActionManager.newAction(38,"_slab",J.i18n.GT.o(J.i18n.GT.$("adjust slab (front plane; requires {0})"),"SLAB ON")),JV.ActionManager.newAction(39,"_slabAndDepth",J.i18n.GT.o(J.i18n.GT.$("move slab/depth window (both planes; requires {0})"),"SLAB ON")),JV.ActionManager.newAction(40,"_slideZoom",J.i18n.GT.$("zoom (along right edge of window)")),JV.ActionManager.newAction(41, +"_spinDrawObjectCCW",J.i18n.GT.o(J.i18n.GT.$("click on two points to spin around axis counterclockwise (requires {0})"),"set picking SPIN")),JV.ActionManager.newAction(42,"_spinDrawObjectCW",J.i18n.GT.o(J.i18n.GT.$("click on two points to spin around axis clockwise (requires {0})"),"set picking SPIN")),JV.ActionManager.newAction(43,"_stopMotion",J.i18n.GT.o(J.i18n.GT.$("stop motion (requires {0})"),"set waitForMoveTo FALSE")),JV.ActionManager.newAction(44,"_swipe",J.i18n.GT.$("spin model (swipe and release button and stop motion simultaneously)")), +JV.ActionManager.newAction(45,"_translate",J.i18n.GT.$("translate")),JV.ActionManager.newAction(46,"_wheelZoom",J.i18n.GT.$("zoom")))});c$.getActionName=c(c$,"getActionName",function(a){return aa||a>=JV.ActionManager.pickingModeNames.length? +"off":JV.ActionManager.pickingModeNames[a]},"~N");c$.getPickingMode=c(c$,"getPickingMode",function(a){for(var b=JV.ActionManager.pickingModeNames.length;0<=--b;)if(a.equalsIgnoreCase(JV.ActionManager.pickingModeNames[b]))return b;return-1},"~S");c$.getPickingStyleName=c(c$,"getPickingStyleName",function(a){return 0>a||a>=JV.ActionManager.pickingStyleNames.length?"toggle":JV.ActionManager.pickingStyleNames[a]},"~N");c$.getPickingStyleIndex=c(c$,"getPickingStyleIndex",function(a){for(var b=JV.ActionManager.pickingStyleNames.length;0<= +--b;)if(a.equalsIgnoreCase(JV.ActionManager.pickingStyleNames[b]))return b;return-1},"~S");c(c$,"getAtomPickingMode",function(){return this.apm});c(c$,"setPickingMode",function(a){var b=!1;switch(a){case -1:b=!0;this.bondPickingMode=35;a=1;this.vwr.setStringProperty("pickingStyle","toggle");this.vwr.setBooleanProperty("bondPicking",!1);break;case 35:case 34:case 33:case 8:this.vwr.setBooleanProperty("bondPicking",!0);this.bondPickingMode=a;this.resetMeasurement();return}b=(new Boolean(b|this.apm!= +a)).valueOf();this.apm=a;b&&this.resetMeasurement()},"~N");c(c$,"getPickingState",function(){var a=";set modelkitMode "+this.vwr.getBoolean(603983903)+";set picking "+JV.ActionManager.getPickingModeName(this.apm);32==this.apm&&(a+="_"+this.vwr.getModelkitProperty("atomType"));a+=";";0!=this.bondPickingMode&&(a+="set picking "+JV.ActionManager.getPickingModeName(this.bondPickingMode));33==this.bondPickingMode&&(a+="_"+this.vwr.getModelkitProperty("bondType"));return a+";"});c(c$,"getPickingStyle", +function(){return this.pickingStyle});c(c$,"setPickingStyle",function(a){this.pickingStyle=a;4<=a?(this.pickingStyleMeasure=a,this.resetMeasurement()):(3>a&&(this.rootPickingStyle=a),this.pickingStyleSelect=a);this.rubberbandSelectionMode=!1;switch(this.pickingStyleSelect){case 2:this.b.name.equals("extendedSelect")||this.setBinding(null==this.pfaatBinding?this.pfaatBinding=JV.binding.Binding.newBinding(this.vwr,"Pfaat"):this.pfaatBinding);break;case 3:this.b.name.equals("drag")||this.setBinding(null== +this.dragBinding?this.dragBinding=JV.binding.Binding.newBinding(this.vwr,"Drag"):this.dragBinding);this.rubberbandSelectionMode=!0;break;case 1:this.b.name.equals("selectOrToggle")||this.setBinding(null==this.rasmolBinding?this.rasmolBinding=JV.binding.Binding.newBinding(this.vwr,"Rasmol"):this.rasmolBinding);break;default:this.b!==this.jmolBinding&&this.setBinding(this.jmolBinding)}this.b.name.equals("drag")||(this.predragBinding=this.b)},"~N");c(c$,"setGestureSwipeFactor",function(a){this.gestureSwipeFactor= +a},"~N");c(c$,"setMouseDragFactor",function(a){this.mouseDragFactor=a},"~N");c(c$,"setMouseWheelFactor",function(a){this.mouseWheelFactor=a},"~N");c(c$,"isDraggedIsShiftDown",function(){return 0!=(this.dragged.modifiers&1)});c(c$,"setCurrent",function(a,b,d,c){this.vwr.hoverOff();this.current.set(a,b,d,c)},"~N,~N,~N,~N");c(c$,"getCurrentX",function(){return this.current.x});c(c$,"getCurrentY",function(){return this.current.y});c(c$,"setMouseMode",function(){this.drawMode=this.labelMode=!1;this.dragSelectedMode= +this.vwr.getDragSelected();this.measuresEnabled=!this.dragSelectedMode;if(!this.dragSelectedMode)switch(this.apm){default:return;case 32:this.measuresEnabled=!this.vwr.getModelkit(!1).isPickAtomAssignCharge();return;case 4:this.drawMode=!0;this.measuresEnabled=!1;break;case 2:this.labelMode=!0;this.measuresEnabled=!1;break;case 9:this.measuresEnabled=!1;break;case 19:case 22:case 20:case 21:this.measuresEnabled=!1;return}this.exitMeasurementMode(null)});c(c$,"clearMouseInfo",function(){this.pressedCount= +this.clickedCount=0;this.dragGesture.setAction(0,0);this.exitMeasurementMode(null)});c(c$,"setDragAtomIndex",function(a){this.dragAtomIndex=a;this.setAtomsPicked(JU.BSUtil.newAndSetBit(a),"Label picked for atomIndex = "+a)},"~N");c(c$,"isMTClient",function(){return this.isMultiTouchClient});c(c$,"isMTServer",function(){return this.isMultiTouchServer});c(c$,"dispose",function(){this.clear()});c(c$,"clear",function(){this.startHoverWatcher(!1);null!=this.predragBinding&&(this.b=this.predragBinding); +this.vwr.setPickingMode(null,1);this.vwr.setPickingStyle(null,this.rootPickingStyle);this.isAltKeyReleased=!0});c(c$,"startHoverWatcher",function(a){if(!this.vwr.isPreviewOnly)try{a?null==this.hoverWatcherThread&&(this.current.time=-1,this.hoverWatcherThread=new J.thread.HoverWatcherThread(this,this.current,this.moved,this.vwr)):null!=this.hoverWatcherThread&&(this.current.time=-1,this.hoverWatcherThread.interrupt(),this.hoverWatcherThread=null)}catch(b){if(!G(b,Exception))throw b;}},"~B");c(c$,"setModeMouse", +function(a){-1==a&&this.startHoverWatcher(!1)},"~N");j(c$,"keyPressed",function(a,b){if(this.keyProcessing)return!1;this.keyProcessing=!0;switch(a){case 18:this.dragSelectedMode&&this.isAltKeyReleased&&this.vwr.moveSelected(-2147483648,0,-2147483648,-2147483648,-2147483648,null,!1,!1,b);this.isAltKeyReleased=!1;this.moved.modifiers|=8;break;case 16:this.dragged.modifiers|=1;this.moved.modifiers|=1;break;case 17:this.moved.modifiers|=2;break;case 27:this.vwr.hoverOff();this.exitMeasurementMode("escape"); +break;default:this.vwr.hoverOff()}var d=8464|this.moved.modifiers;!this.labelMode&&!this.b.isUserAction(d)&&this.checkMotionRotateZoom(d,this.current.x,0,0,!1);if(this.vwr.getBoolean(603979889))switch(a){case 38:case 40:case 37:case 39:case 32:case 46:this.vwr.navigate(a,b)}this.keyProcessing=!1;return!0},"~N,~N");j(c$,"keyTyped",function(){return!1},"~N,~N");j(c$,"keyReleased",function(a){switch(a){case 18:this.moved.modifiers&=-9;this.dragSelectedMode&&this.vwr.moveSelected(2147483647,0,-2147483648, +-2147483648,-2147483648,null,!1,!1,this.moved.modifiers);this.isAltKeyReleased=!0;break;case 16:this.moved.modifiers&=-2;break;case 17:this.moved.modifiers&=-3}0==this.moved.modifiers&&this.vwr.setCursor(0);if(this.vwr.getBoolean(603979889))switch(a){case 38:case 40:case 37:case 39:this.vwr.navigate(0,0)}},"~N");j(c$,"mouseEnterExit",function(a,b,d,c){this.vwr.tm.stereoDoubleDTI&&(b<<=1);this.setCurrent(a,b,d,0);c&&this.exitMeasurementMode("mouseExit")},"~N,~N,~N,~B");c(c$,"setMouseActions",function(a, +b,d){this.pressAction=JV.binding.Binding.getMouseAction(a,b,d?5:4);this.dragAction=JV.binding.Binding.getMouseAction(a,b,1);this.clickAction=JV.binding.Binding.getMouseAction(a,b,2)},"~N,~N,~B");j(c$,"mouseAction",function(a,b,d,c,f,e){if(this.vwr.getMouseEnabled())switch(JU.Logger.debuggingHigh&&(0!=a&&this.vwr.getBoolean(603979960))&&this.vwr.showString("mouse action: "+a+" "+e+" "+JV.binding.Binding.getMouseActionName(JV.binding.Binding.getMouseAction(f,e,a),!1),!1),this.vwr.tm.stereoDoubleDTI&& +(d<<=1),a){case 0:this.setCurrent(b,d,c,e);this.moved.setCurrent(this.current,0);if(null!=this.mp||this.hoverActive){this.clickAction=JV.binding.Binding.getMouseAction(this.clickedCount,e,0);this.checkClickAction(d,c,b,0);break}if(this.isZoomArea(d)){this.checkMotionRotateZoom(this.LEFT_DRAGGED,0,0,0,!1);break}8==this.vwr.currentCursor&&this.vwr.setCursor(0);break;case 4:this.setMouseMode();this.pressedCount=this.pressed.check(20,d,c,e,b,700)?this.pressedCount+1:1;1==this.pressedCount&&(this.vwr.checkInMotion(1), +this.setCurrent(b,d,c,e));this.pressAction=JV.binding.Binding.getMouseAction(this.pressedCount,e,4);this.vwr.setCursor(12);this.pressed.setCurrent(this.current,1);this.dragged.setCurrent(this.current,1);this.vwr.setFocus();this.dragGesture.setAction(this.dragAction,b);this.checkPressedAction(d,c,b);break;case 1:this.setMouseMode();this.setMouseActions(this.pressedCount,e,!1);a=d-this.dragged.x;f=c-this.dragged.y;this.setCurrent(b,d,c,e);this.dragged.setCurrent(this.current,-1);this.dragGesture.add(this.dragAction, +d,c,b);this.checkDragWheelAction(this.dragAction,d,c,a,f,b,1);break;case 5:this.setMouseActions(this.pressedCount,e,!0);this.setCurrent(b,d,c,e);this.vwr.spinXYBy(0,0,0);e=!this.pressed.check(10,d,c,e,b,9223372036854775E3);this.checkReleaseAction(d,c,b,e);break;case 3:if(this.vwr.isApplet&&!this.vwr.hasFocus())break;this.setCurrent(b,this.current.x,this.current.y,e);this.checkDragWheelAction(JV.binding.Binding.getMouseAction(0,e,3),this.current.x,this.current.y,0,c,b,3);break;case 2:this.setMouseMode(); +this.clickedCount=1b||(1==this.dragGesture.getPointCount()?this.vwr.undoMoveActionClear(b,2,!0):this.vwr.moveSelected(2147483647,0,-2147483648,-2147483648,-2147483648,null,!1,!1,j),this.dragSelected(a,c,f,!1));else{if(this.isDrawOrLabelAction(a)&&(this.setMotion(13,!0),this.vwr.checkObjectDragged(this.dragged.x,this.dragged.y,b,d,a)))return;if(this.checkMotionRotateZoom(a,b,c,f,!0))this.vwr.tm.slabEnabled&&this.bnd(a, +[39])?this.vwr.slabDepthByPixels(f):this.vwr.zoomBy(f);else if(this.bnd(a,[25]))this.vwr.rotateXYBy(this.getDegrees(c,!0),this.getDegrees(f,!1));else if(this.bnd(a,[29]))0==c&&1this.dragAtomIndex?this.exitMeasurementMode(null):34==this.bondPickingMode? +(this.vwr.setModelkitProperty("bondAtomIndex",Integer.$valueOf(this.dragAtomIndex)),this.exitMeasurementMode(null)):this.assignNew(a,b);else if(this.dragAtomIndex=-1,this.mkBondPressed=!1,this.isRubberBandSelect(this.dragAction)&&this.selectRb(this.clickAction),this.rubberbandSelectionMode=this.b.name.equals("drag"),this.rectRubber.x=2147483647,c&&this.vwr.notifyMouseClicked(a,b,JV.binding.Binding.getMouseAction(this.pressedCount,0,5),5),this.isDrawOrLabelAction(this.dragAction))this.vwr.checkObjectDragged(2147483647, +0,a,b,this.dragAction);else if(this.haveSelection&&(this.dragSelectedMode&&this.bnd(this.dragAction,[13]))&&this.vwr.moveSelected(2147483647,0,-2147483648,-2147483648,-2147483648,null,!1,!1,this.dragged.modifiers),(!c||!this.checkUserAction(this.pressAction,a,b,0,0,d,5))&&this.vwr.getBoolean(603979780)&&this.bnd(this.dragAction,[44]))a=this.getExitRate(),0j&&this.reset()}}},"~N,~N,~N,~N");c(c$,"pickLabel",function(a){var b=this.vwr.ms.at[a].atomPropertyString(this.vwr,1825200146);2==this.pressedCount?(b=this.vwr.apiPlatform.prompt("Set label for atomIndex="+a,b,null,!1),null!=b&&(this.vwr.shm.setAtomLabel(b,a),this.vwr.refresh(1,"label atom"))):this.setAtomsPicked(JU.BSUtil.newAndSetBit(a),"Label picked for atomIndex = "+a+": "+b)},"~N");c(c$,"checkUserAction",function(a,b,d,c,f,e,h){if(!this.b.isUserAction(a))return!1; +for(var j=!1,l,n=this.b.getBindings(),m=a+"\t",p,q=n.keySet().iterator();q.hasNext()&&((p=q.next())||1);)if(0==p.indexOf(m)&&JU.AU.isAS(l=n.get(p))){var r=l[1],s=null;if(0<=r.indexOf("_ATOM")){var t=this.findNearestAtom(b,d,null,!0),r=JU.PT.rep(r,"_ATOM","({"+(0<=t?""+t:"")+"})");0<=t&&(r=JU.PT.rep(r,"_POINT",JU.Escape.eP(this.vwr.ms.at[t])))}if(!this.drawMode&&(0<=r.indexOf("_POINT")||0<=r.indexOf("_OBJECT")||0<=r.indexOf("_BOND"))){t=this.vwr.checkObjectClicked(b,d,a);if(null!=t&&null!=(s=t.get("pt")))t.get("type").equals("bond")&& +(r=JU.PT.rep(r,"_BOND","[{"+t.get("index")+"}]")),r=JU.PT.rep(r,"_POINT",JU.Escape.eP(s)),r=JU.PT.rep(r,"_OBJECT",JU.Escape.escapeMap(t));r=JU.PT.rep(r,"_BOND","[{}]");r=JU.PT.rep(r,"_OBJECT","{}")}r=JU.PT.rep(r,"_POINT","{}");r=JU.PT.rep(r,"_ACTION",""+a);r=JU.PT.rep(r,"_X",""+b);r=JU.PT.rep(r,"_Y",""+(this.vwr.getScreenHeight()-d));r=JU.PT.rep(r,"_DELTAX",""+c);r=JU.PT.rep(r,"_DELTAY",""+f);r=JU.PT.rep(r,"_TIME",""+e);r=JU.PT.rep(r,"_MODE",""+h);r.startsWith("+:")&&(j=!0,r=r.substring(2));this.vwr.evalStringQuiet(r)}return!j}, +"~N,~N,~N,~N,~N,~N,~N");c(c$,"checkMotionRotateZoom",function(a,b,d,c,f){b=this.bnd(a,[40])&&this.isZoomArea(this.pressed.x);var e=this.bnd(a,[25]),h=this.bnd(a,[29]);if(!b&&!e&&!h)return!1;a=(d=h&&(0==d||Math.abs(c)>5*Math.abs(d)))||this.isZoomArea(this.moved.x)||this.bnd(a,[46])?8:e||h?13:this.bnd(a,[1])?12:0;this.setMotion(a,f);return d||b},"~N,~N,~N,~N,~B");c(c$,"getExitRate",function(){var a=this.dragGesture.getTimeDifference(2);return this.isMultiTouch?8098*this.vwr.getScreenWidth()* +(this.vwr.tm.stereoDoubleFull||this.vwr.tm.stereoDoubleDTI?2:1)/100},"~N");c(c$,"getPoint",function(a){var b=new JU.Point3fi;b.setT(a.get("pt"));b.mi=a.get("modelIndex").intValue();return b},"java.util.Map");c(c$,"findNearestAtom",function(a,b,d,c){a=this.drawMode||null!=d?-1:this.vwr.findNearestAtomIndexMovable(a,b,!1);return 0<=a&&(c||null==this.mp)&&!this.vwr.slm.isInSelectionSubset(a)?-1:a},"~N,~N,JU.Point3fi,~B");c(c$,"isSelectAction",function(a){return this.bnd(a,[17])||!this.drawMode&&!this.labelMode&& +1==this.apm&&this.bnd(a,[1])||this.dragSelectedMode&&this.bnd(this.dragAction,[27,13])||this.bnd(a,[22,35,32,34,36,30])},"~N");c(c$,"enterMeasurementMode",function(a){this.vwr.setPicked(a,!0);this.vwr.setCursor(1);this.vwr.setPendingMeasurement(this.mp=this.getMP());this.measurementQueued=this.mp},"~N");c(c$,"getMP",function(){return J.api.Interface.getInterface("JM.MeasurementPending",this.vwr,"mouse").set(this.vwr.ms)});c(c$,"addToMeasurement",function(a,b,d){if(-1==a&&null==b||null==this.mp)return this.exitMeasurementMode(null), +0;var c=this.mp.count;-2147483648!=this.mp.traceX&&2==c&&this.mp.setCount(c=1);return 4==c&&!d?c:this.mp.addPoint(a,b,!0)},"~N,JU.Point3fi,~B");c(c$,"resetMeasurement",function(){this.exitMeasurementMode(null);this.measurementQueued=this.getMP()});c(c$,"exitMeasurementMode",function(a){null!=this.mp&&(this.vwr.setPendingMeasurement(this.mp=null),this.vwr.setCursor(0),null!=a&&this.vwr.refresh(3,a))},"~S");c(c$,"getSequence",function(){var a=this.measurementQueued.getAtomIndex(1),b=this.measurementQueued.getAtomIndex(2); +if(!(0>a||0>b))try{var d=this.vwr.getSmilesOpt(null,a,b,1048576,null);this.vwr.setStatusMeasuring("measureSequence",-2,d,0)}catch(c){if(G(c,Exception))JU.Logger.error(c.toString());else throw c;}});c(c$,"minimize",function(a){var b=this.dragAtomIndex;a&&(this.dragAtomIndex=-1,this.mkBondPressed=!1);this.vwr.dragMinimizeAtom(b)},"~B");c(c$,"queueAtom",function(a,b){var d=this.measurementQueued.addPoint(a,b,!0);0<=a&&this.vwr.setStatusAtomPicked(a,"Atom #"+d+":"+this.vwr.getAtomInfo(a),null,!1);return d}, +"~N,JU.Point3fi");c(c$,"setMotion",function(a,b){switch(this.vwr.currentCursor){case 3:break;default:this.vwr.setCursor(a)}b&&this.vwr.setInMotion(!0)},"~N,~B");c(c$,"zoomByFactor",function(a,b,d){0!=a&&(this.setMotion(8,!0),this.vwr.zoomByFactor(Math.pow(this.mouseWheelFactor,a),b,d),this.moved.setCurrent(this.current,0),this.vwr.setInMotion(!0),this.zoomTrigger=!0,this.startHoverWatcher(!0))},"~N,~N,~N");c(c$,"runScript",function(a){this.vwr.script(a)},"~S");c(c$,"atomOrPointPicked",function(a, +b){if(0>a){this.resetMeasurement();if(this.bnd(this.clickAction,[33])){this.runScript("select none");return}if(5!=this.apm&&6!=this.apm)return}var d=2;switch(this.apm){case 28:case 29:return;case 0:return;case 25:case 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J.io.FileReader(this.vwr, -e,a,g,f,null,b,c);b.run();return b.getAtomSetCollection()},"~S,java.util.Map,~B");c(c$,"createAtomSetCollectionFromFiles",function(a,b,c){this.setLoadState(b);for(var g=Array(a.length),f=Array(a.length),e=Array(a.length),h=0;ha.toLowerCase().indexOf("password")&&JU.Logger.info("FileManager opening url "+a);l=this.vwr.apiPlatform.getURLContents(u,f,m,!1);n=null;if(p(l,JU.SB)){a=l;if(e&&!JU.Rdr.isBase64(a))return JU.Rdr.getBR(a.toString());n=JU.Rdr.getBytesFromSB(a)}else JU.AU.isAB(l)&&(n=l);null!=n&&(l=JU.Rdr.getBIS(n))}else if(!h||null==(b=this.cacheGet(a,!0)))c&&JU.Logger.info("FileManager opening file "+a),l=this.vwr.apiPlatform.getBufferedFileInputStream(a);if(p(l,String))return l}j= -null==b?l:JU.Rdr.getBIS(b);g&&(j.close(),j=null);return j}catch(v){if(E(v,Exception))try{null!=j&&j.close()}catch(x){if(!E(x,java.io.IOException))throw x;}else throw 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j}a=JV.JC.fixProtocol(a);null==b&&(null!=(b=this.getCachedPngjBytes(a))&&null!=h)&&h.put("sourcePNGJ",Boolean.TRUE);e=a=a.$replace("#_DOCACHE_","");f=null;0<=a.indexOf("|")&&(f=JU.PT.split(a.$replace("\\","/"),"|"),null==b&&JU.Logger.info("FileManager opening zip "+a),a=f[0]);a=null==b?this.getBufferedInputStreamOrErrorMessageFromName(a,e,!0,!1,null,!g,!0):JU.AU.isAB(b)?JU.Rdr.getBIS(b):b;try{if(p(a, -String)||p(a,java.io.BufferedReader))return a;JU.Rdr.isGzipS(a)?a=JU.Rdr.getUnzippedInputStream(this.vwr.getJzt(),a):JU.Rdr.isBZip2S(a)&&(a=JU.Rdr.getUnzippedInputStreamBZip2(this.vwr.getJzt(),a));if(g&&null==f)return a;if(JU.Rdr.isCompoundDocumentS(a)){var l=J.api.Interface.getInterface("JU.CompoundDocument",this.vwr,"file");l.setDocStream(this.vwr.getJzt(),a);var r=l.getAllDataFiles("Molecule","Input").toString();return g?JU.Rdr.getBIS(r.getBytes()):JU.Rdr.getBR(r)}if(JU.Rdr.isMessagePackS(a)|| -JU.Rdr.isPickleS(a))return a;a=JU.Rdr.getPngZipStream(a,!0);if(JU.Rdr.isZipS(a)){if(c)return 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found:","UNITID_MODEL",1,"UNITID_RESIDUE",2,"UNITID_ATOM",4,"UNITID_INSCODE",8,"UNITID_TRIM", -16,"DEFAULT_DRAG_DROP_SCRIPT","zap; load SYNC \"%FILE\";if (%ALLOWCARTOONS && _loadScript == '' && defaultLoadScript == '' && _filetype == 'Pdb') {if ({(protein or nucleic)&*/1.1} && {*/1.1}[1].groupindex != {*/1.1}[0].groupindex){select protein or nucleic;cartoons only;}if ({visible && cartoons > 0}){color structure}else{wireframe -0.1};if (!{visible}){spacefill 23%};select *}")});u("JV");x(["java.io.IOException"],"JV.JmolAsyncException",null,function(){c$=t(function(){this.fileName=null;s(this, -arguments)},JV,"JmolAsyncException",java.io.IOException);n(c$,function(a){H(this,JV.JmolAsyncException,[]);this.fileName=a},"~S");c(c$,"getFileName",function(){return 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g=this.vwr.slm.bsSubset;null!=g&&(c=this.vwr.slm.getSelectedAtomsNoSubset(),c.and(g),this.vwr.select(c,!1,0,!0),JU.BSUtil.invertInPlace(c,this.vwr.ms.ac),c.and(g))}JU.BSUtil.andNot(c,this.vwr.slm.bsDeleted); -g=this.vwr.getBoolean(603979812);a||this.vwr.setBooleanProperty("bondModeOr",!0);this.setShapeSizeBs(1,0,null,null);this.setShapePropertyBs(1,"type",Integer.$valueOf(32768),null);this.setShapeSizeBs(1,0,null,null);this.setShapePropertyBs(1,"type",Integer.$valueOf(1023),null);for(var f=this.vwr.bsA(),e=21;0<=--e;)6!=e&&null!=this.getShape(e)&&this.setShapeSizeBs(e,0,null,f);null!=this.getShape(21)&&this.setShapePropertyBs(21,"off",f,null);this.setLabel(null,f);a||this.vwr.setBooleanProperty("bondModeOr", -g);this.vwr.select(c,!1,0,!0)},"~B,~B");F(c$,"hoverable",A(-1,[31,20,25,24,22,36]));c$.clickableMax=c$.prototype.clickableMax=JV.ShapeManager.hoverable.length-1});u("JV");x(["java.util.Hashtable"],["JV.Connection","$.Scene","$.StateManager","$.Connections"],["java.util.Arrays","JU.BS","$.SB","JM.Orientation","JU.BSUtil"],function(){c$=t(function(){this.saved=this.vwr=null;this.lastCoordinates=this.lastShape=this.lastState=this.lastSelected=this.lastScene=this.lastConnections=this.lastContext=this.lastOrientation= -"";s(this,arguments)},JV,"StateManager");O(c$,function(){this.saved=new java.util.Hashtable});c$.getVariableList=c(c$,"getVariableList",function(a,b,c,g){var f=new JU.SB,e=0,h=Array(a.size()),j;for(a=a.entrySet().iterator();a.hasNext()&&((j=a.next())||1);){var l=j.getKey(),r=j.getValue();if((c||!l.startsWith("site_"))&&(!g||"@"==l.charAt(0)))h[e++]=l+("@"==l.charAt(0)?" 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JU.Lst,g,f=this.imageMap.keySet().iterator();f.hasNext()&&((g=f.next())||1);)c.addLast(g);for(g=c.size();0<=--g;)this.imageMap.get(c.get(g)).closeMe()}}else null==this.imageMap&& -(this.imageMap=new java.util.Hashtable),g=this.imageMap.get(a),Boolean.FALSE.equals(b)?null!=g&&g.closeMe():(null==g&&null!=b&&(g=this.vwr.apiPlatform.getImageDialog(a,this.imageMap)),null!=g&&(null==b?g.closeMe():g.setImage(b)))},"~S,~O");c(c$,"setFileLoadStatus",function(a,b,c,g,f,e,h){null==a&&"resetUndo".equals(b)&&(b=this.vwr.getProperty("DATA_API","getAppConsole",null),null!=b&&b.zap(),b=this.vwr.getZapName());this.setStatusChanged("fileLoaded",f,a,!1);null!=g&&this.setStatusChanged("fileLoadError", -f,g,!1);var j=this.jmolScriptCallback(J.c.CBK.LOADSTRUCT);e&&this.notifyEnabled(J.c.CBK.LOADSTRUCT)&&(e=this.vwr.getP("_smilesString"),0!=e.length&&(b=e),this.cbl.notifyCallback(J.c.CBK.LOADSTRUCT,v(-1,[j,a,b,c,g,Integer.$valueOf(f),this.vwr.getP("_modelNumber"),this.vwr.getModelNumberDotted(this.vwr.ms.mc-1),h])))},"~S,~S,~S,~S,~N,~B,Boolean");c(c$,"setStatusFrameChanged",function(a,b,c,g,f,e,h){if(null!=this.vwr.ms){var j=this.vwr.am.animationOn,l=j?-2-f:f;this.setStatusChanged("frameChanged",l, -0<=f?this.vwr.getModelNumberDotted(f):"",!1);var r=this.jmolScriptCallback(J.c.CBK.ANIMFRAME);this.notifyEnabled(J.c.CBK.ANIMFRAME)&&this.cbl.notifyCallback(J.c.CBK.ANIMFRAME,v(-1,[r,A(-1,[l,a,b,c,g,f]),h,Float.$valueOf(e)]));j||this.vwr.checkMenuUpdate()}},"~N,~N,~N,~N,~N,~N,~S");c(c$,"setStatusDragDropped",function(a,b,c,g){this.setStatusChanged("dragDrop",0,"",!1);var 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g=this.jmolScriptCallback(J.c.CBK.ERROR);this.notifyEnabled(J.c.CBK.ERROR)&&this.cbl.notifyCallback(J.c.CBK.ERROR,v(-1,[g,a,b,this.vwr.getShapeErrorState(), -c]))},"~S,~S,~S");c(c$,"notifyMinimizationStatus",function(a,b,c,g,f){var e=this.jmolScriptCallback(J.c.CBK.MINIMIZATION);this.notifyEnabled(J.c.CBK.MINIMIZATION)&&this.cbl.notifyCallback(J.c.CBK.MINIMIZATION,v(-1,[e,a,b,c,g,f]))},"~S,Integer,Float,Float,~S");c(c$,"setScriptStatus",function(a,b,c,g){if(-1>c)a=-2-c,this.setStatusChanged("scriptStarted",a,b,!1),a="script "+a+" started";else if(null==a)return;var f=0==c?this.jmolScriptCallback(J.c.CBK.SCRIPT):null,e="Script completed"===a;if(this.recordStatus("script")){var h= -null!=g;this.setStatusChanged(h?"scriptError":"scriptStatus",0,a,!1);if(h||e)this.setStatusChanged("scriptTerminated",1,"Jmol script terminated"+(h?" unsuccessfully: "+a:" successfully"),!1)}e&&(this.vwr.getBoolean(603979879)&&this.vwr.getBoolean(603979825))&&(a=this.vwr.getChimeMessenger().scriptCompleted(this,b,g));b=v(-1,[f,a,b,Integer.$valueOf(e?-1:c),g]);this.notifyEnabled(J.c.CBK.SCRIPT)&&this.cbl.notifyCallback(J.c.CBK.SCRIPT,b);this.processScript(b)},"~S,~S,~N,~S");c(c$,"processScript",function(a){var b= -a[3].intValue();this.vwr.notifyScriptEditor(b,a);0==b&&this.vwr.sendConsoleMessage(null==a[1]?null:a[1].toString())},"~A");c(c$,"doSync",function(){return this.isSynced&&this.drivingSync&&!this.syncDisabled});c(c$,"setSync",function(a){this.syncingMouse?null!=a&&this.syncSend(a,"*",0):this.syncingScripts||this.syncSend("!"+this.vwr.tm.getMoveToText(this.minSyncRepeatMs/1E3,!1),"*",0)},"~S");c(c$,"setSyncDriver",function(a){this.stereoSync&&4!=a&&(this.syncSend("SET_GRAPHICS_OFF","*",0),this.stereoSync= -!1);switch(a){case 4:if(!this.syncDisabled)return;this.syncDisabled=!1;break;case 3:this.syncDisabled=!0;break;case 5:this.stereoSync=this.isSynced=this.drivingSync=!0;break;case 1:this.isSynced=this.drivingSync=!0;break;case 2:this.drivingSync=!1;this.isSynced=!0;break;default:this.isSynced=this.drivingSync=!1}JU.Logger.debugging&&JU.Logger.debug(this.vwr.appletName+" sync mode="+a+"; synced? 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a},"java.util.Map");c(c$,"getSyncMode",function(){return!this.isSynced?0:this.drivingSync?1:2});c(c$,"showUrl",function(a){null!=this.jsl&&this.jsl.showUrl(a)},"~S");c(c$,"clearConsole",function(){this.vwr.sendConsoleMessage(null); -null!=this.jsl&&this.cbl.notifyCallback(J.c.CBK.MESSAGE,null)});c(c$,"functionXY",function(a,b,c){return null==this.jsl?I(Math.abs(b),Math.abs(c),0):this.jsl.functionXY(a,b,c)},"~S,~N,~N");c(c$,"functionXYZ",function(a,b,c,g){return null==this.jsl?I(Math.abs(b),Math.abs(c),Math.abs(c),0):this.jsl.functionXYZ(a,b,c,g)},"~S,~N,~N,~N");c(c$,"jsEval",function(a){return null==this.jsl?"":this.jsl.eval(a)},"~S");c(c$,"createImage",function(a,b,c,g,f){return null==this.jsl?null:this.jsl.createImage(a,b, -null==c?g:c,f)},"~S,~S,~S,~A,~N");c(c$,"getRegistryInfo",function(){return null==this.jsl?null:this.jsl.getRegistryInfo()});c(c$,"dialogAsk",function(a,b,c){var g=a.equals("Save 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0;c=this.shapes[a].getSizeG(b)}return c/2E3},"~N,JM.Group,~N");c(c$,"replaceGroup",function(a,b){if(null!=this.shapes)for(var c=9;16>c;c++)null!=this.shapes[c]&&this.shapes[c].replaceGroup(a,b)},"JM.Group,JM.Group");c(c$,"getObjectMap",function(a,b){if(null!=this.shapes)for(var c=Boolean.$valueOf(b),g=16;30>g;++g)this.getShapePropertyData(g,"getNames",w(-1,[a,c]))},"java.util.Map,~B");c(c$,"getProperty",function(a){return a.equals("getShapes")? +this.shapes:null},"~O");c(c$,"getShape",function(a){return null==this.shapes?null:this.shapes[a]},"~N");c(c$,"resetBioshapes",function(a){if(null!=this.shapes)for(var b=0;bc;c++)null!=a[c]&&a[c].setModelVisibilityFlags(b);var a=this.vwr.getBoolean(603979922),g=this.vwr.slm.bsDeleted,f=this.ms.at;this.ms.clearVisibleSets();if(0a;++a){var b=this.shapes[a];null!=b&&b.setAtomClickability()}});c(c$,"finalizeAtoms",function(a,b){var c=this.vwr,g=c.tm;b&&c.finalizeTransformParameters();if(null!=a){var f=this.ms.getAtomSetCenter(a),e=new JU.P3;g.transformPt3f(f,e);e.add(g.ptOffset);g.unTransformPoint(e,e);e.sub(f);c.setAtomCoordsRelative(e,a);g.ptOffset.set(0,0,0);g.bsSelectedAtoms=null}f=this.bsRenderableAtoms;this.ms.getAtomsInFrame(f); +var h=this.ms.vibrations,j=null!=h&&g.vibrationOn,l=null!=this.ms.bsModulated&&null!=this.ms.occupancies,n=this.ms.at,m,p=!1,q=this.bsSlabbedInternal;q.clearAll();for(var r=f.nextSetBit(0);0<=r;r=f.nextSetBit(r+1)){var e=n[r],s=j&&e.hasVibration()?g.transformPtVib(e,h[r]):g.transformPt(e);1==s.z&&(g.internalSlab&&g.xyzIsSlabbedInternal(e))&&q.set(r);e.sX=s.x;e.sY=s.y;e.sZ=s.z;var t=Math.abs(e.madAtom);t==JM.Atom.MAD_GLOBAL&&(t=A(2E3*c.getFloat(1140850689)));e.sD=aa(c.tm.scaleToScreen(s.z,t));if(l&& +null!=h[r]&&-2147483648!=(m=h[r].getOccupancy100(j)))p=!0,e.setShapeVisibility(2,!1),0<=m&&50>m?e.setShapeVisibility(24,!1):e.setShapeVisibility(8|(0> +1));s++,e++);if(s!=q.ac){e=q.firstAtomIndex;for(s=0;s>1:0)))e.setClickable(0),l=y((g?-1:1)*e.sD/2),(e.sZ+lj||!m.isInDisplayRange(e.sX,e.sY))&&f.clear(r)}if(0==this.ms.ac||!c.getShowNavigationPoint())return null;c=2147483647;m=-2147483648;g=2147483647;h=-2147483648;for(r=f.nextSetBit(0);0<=r;r=f.nextSetBit(r+1))e=n[r],e.sXm&&(m=e.sX),e.sYh&&(h=e.sY);this.navMinMax[0]=c;this.navMinMax[1]=m;this.navMinMax[2]=g;this.navMinMax[3]=h;return this.navMinMax},"JU.BS,~B");c(c$,"setModelSet",function(a){this.ms=this.vwr.ms=a},"JM.ModelSet");c(c$,"checkInheritedShapes",function(){null!=this.shapes[24]&&this.setShapePropertyBs(24,"remapInherited",null,null)});c(c$,"restrictSelected",function(a,b){var c=this.vwr.slm.getSelectedAtomsNoSubset();if(b){this.vwr.slm.invertSelection();var g=this.vwr.slm.bsSubset;null!=g&&(c=this.vwr.slm.getSelectedAtomsNoSubset(), +c.and(g),this.vwr.select(c,!1,0,!0),JU.BSUtil.invertInPlace(c,this.vwr.ms.ac),c.and(g))}JU.BSUtil.andNot(c,this.vwr.slm.bsDeleted);g=this.vwr.getBoolean(603979812);a||this.vwr.setBooleanProperty("bondModeOr",!0);this.setShapeSizeBs(1,0,null,null);this.setShapePropertyBs(1,"type",Integer.$valueOf(32768),null);this.setShapeSizeBs(1,0,null,null);this.setShapePropertyBs(1,"type",Integer.$valueOf(1023),null);for(var f=this.vwr.bsA(),e=21;0<=--e;)6!=e&&null!=this.getShape(e)&&this.setShapeSizeBs(e,0,null, +f);null!=this.getShape(21)&&this.setShapePropertyBs(21,"off",f,null);this.setLabel(null,f);a||this.vwr.setBooleanProperty("bondModeOr",g);this.vwr.select(c,!1,0,!0)},"~B,~B");F(c$,"hoverable",z(-1,[31,20,25,24,22,36]));c$.clickableMax=c$.prototype.clickableMax=JV.ShapeManager.hoverable.length-1});s("JV");u(["java.util.Hashtable"],["JV.Connection","$.Scene","$.StateManager","$.Connections"],["java.util.Arrays","JU.BS","$.SB","JM.Orientation","JU.BSUtil"],function(){c$=t(function(){this.saved=this.vwr= +null;this.lastCoordinates=this.lastShape=this.lastState=this.lastSelected=this.lastScene=this.lastConnections=this.lastContext=this.lastOrientation="";n(this,arguments)},JV,"StateManager");O(c$,function(){this.saved=new java.util.Hashtable});c$.getVariableList=c(c$,"getVariableList",function(a,b,c,g){var f=new JU.SB,e=0,h=Array(a.size()),j;for(a=a.entrySet().iterator();a.hasNext()&&((j=a.next())||1);){var l=j.getKey(),n=j.getValue();if((c||!l.startsWith("site_"))&&(!g||"@"==l.charAt(0)))h[e++]=l+ +("@"==l.charAt(0)?" "+n.asString():" = "+JV.StateManager.varClip(l,n.escape(),b))}java.util.Arrays.sort(h,0,e);for(b=0;ba?a:y(a/11)}, +"~S");c$.getObjectNameFromId=c(c$,"getObjectNameFromId",function(a){return 0>a||7<=a?null:"background axis1 axis2 axis3 boundbox unitcell frank ".substring(11*a,11*a+11).trim()},"~N");r(c$,function(a){this.vwr=a},"JV.Viewer");c(c$,"clear",function(a){this.vwr.setShowAxes(!1);this.vwr.setShowBbcage(!1);this.vwr.setShowUnitCell(!1);a.clear()},"JV.GlobalSettings");c(c$,"resetLighting",function(){this.vwr.setIntProperty("ambientPercent",45);this.vwr.setIntProperty("celShadingPower", +10);this.vwr.setIntProperty("diffusePercent",84);this.vwr.setIntProperty("phongExponent",64);this.vwr.setIntProperty("specularExponent",6);this.vwr.setIntProperty("specularPercent",22);this.vwr.setIntProperty("specularPower",40);this.vwr.setIntProperty("zDepth",0);this.vwr.setIntProperty("zShadePower",3);this.vwr.setIntProperty("zSlab",50);this.vwr.setBooleanProperty("specular",!0);this.vwr.setBooleanProperty("celShading",!1);this.vwr.setBooleanProperty("zshade",!1)});c(c$,"setCrystallographicDefaults", +function(){this.vwr.setAxesMode(603979808);this.vwr.setShowAxes(!0);this.vwr.setShowUnitCell(!0);this.vwr.setBooleanProperty("perspectiveDepth",!1)});c(c$,"setCommonDefaults",function(){this.vwr.setBooleanProperty("perspectiveDepth",!0);this.vwr.setFloatProperty("bondTolerance",0.45);this.vwr.setFloatProperty("minBondDistance",0.4);this.vwr.setIntProperty("bondingVersion",0);this.vwr.setBooleanProperty("translucent",!0)});c(c$,"setJmolDefaults",function(){this.setCommonDefaults();this.vwr.setStringProperty("defaultColorScheme", +"Jmol");this.vwr.setBooleanProperty("axesOrientationRasmol",!1);this.vwr.setBooleanProperty("zeroBasedXyzRasmol",!1);this.vwr.setIntProperty("percentVdwAtom",23);this.vwr.setIntProperty("bondRadiusMilliAngstroms",150);this.vwr.setVdwStr("auto")});c(c$,"setRasMolDefaults",function(){this.setCommonDefaults();this.vwr.setStringProperty("defaultColorScheme","RasMol");this.vwr.setBooleanProperty("axesOrientationRasmol",!0);this.vwr.setBooleanProperty("zeroBasedXyzRasmol",!0);this.vwr.setIntProperty("percentVdwAtom", +0);this.vwr.setIntProperty("bondRadiusMilliAngstroms",1);this.vwr.setVdwStr("Rasmol")});c(c$,"setPyMOLDefaults",function(){this.setCommonDefaults();this.vwr.setStringProperty("measurementUnits","ANGSTROMS");this.vwr.setBooleanProperty("zoomHeight",!0)});c$.getNoCase=c(c$,"getNoCase",function(a,b){for(var c,g=a.entrySet().iterator();g.hasNext()&&((c=g.next())||1);)if(c.getKey().equalsIgnoreCase(b))return c.getValue();return null},"java.util.Map,~S");c(c$,"listSavedStates",function(){for(var a="",b, +c=this.saved.keySet().iterator();c.hasNext()&&((b=c.next())||1);)a+="\n"+b;return a});c(c$,"deleteSavedType",function(a){for(var b=this.saved.keySet().iterator();b.hasNext();)b.next().startsWith(a)&&b.remove()},"~S");c(c$,"deleteSaved",function(a){for(var b=this.saved.keySet().iterator();b.hasNext();){var c=b.next();(c.startsWith(a)||c.endsWith("_"+a)&&c.indexOf("_")==c.lastIndexOf("_"+a))&&b.remove()}},"~S");c(c$,"saveSelection",function(a,b){a.equalsIgnoreCase("DELETE")?this.deleteSavedType("Selected_"): +(a=this.lastSelected="Selected_"+a,this.saved.put(a,JU.BSUtil.copy(b)))},"~S,JU.BS");c(c$,"restoreSelection",function(a){a=JV.StateManager.getNoCase(this.saved,0c&&(b=b.substring(0,c)+" #...more ("+b.length+" bytes -- use SHOW "+a+" or MESSAGE @"+a+" to view)");return b},"~S,~S,~N");F(c$,"OBJ_BACKGROUND",0,"OBJ_AXIS1",1,"OBJ_AXIS2",2,"OBJ_AXIS3",3,"OBJ_BOUNDBOX",4,"OBJ_UNITCELL",5,"OBJ_FRANK",6,"OBJ_MAX",7,"objectNameList","background axis1 axis2 axis3 boundbox unitcell frank "); +c$=t(function(){this.scene=this.saveName=null;n(this,arguments)},JV,"Scene");r(c$,function(a){this.scene=a},"java.util.Map");c(c$,"restore",function(a,b){var c=this.scene.get("generator");null!=c&&c.generateScene(this.scene);c=this.scene.get("pymolView");return null!=c&&a.tm.moveToPyMOL(a.eval,b,c)},"JV.Viewer,~N");c$=t(function(){this.saveName=null;this.bondCount=0;this.vwr=this.connections=null;n(this,arguments)},JV,"Connections");r(c$,function(a){var b=a.ms;if(null!=b){this.vwr=a;this.bondCount= +b.bondCount;this.connections=Array(this.bondCount+1);a=b.bo;for(b=this.bondCount;0<=--b;){var c=a[b];this.connections[b]=new JV.Connection(c.atom1.i,c.atom2.i,c.mad,c.colix,c.order,c.getEnergy(),c.shapeVisibilityFlags)}}},"JV.Viewer");c(c$,"restore",function(){var a=this.vwr.ms;if(null==a)return!1;a.deleteAllBonds();for(var b=this.bondCount;0<=--b;){var c=this.connections[b],g=a.ac;c.atomIndex1>=g||c.atomIndex2>=g||(g=a.bondAtoms(a.at[c.atomIndex1],a.at[c.atomIndex2],c.order,c.mad,null,c.energy,!1, +!0),g.colix=c.colix,g.shapeVisibilityFlags=c.shapeVisibilityFlags)}for(b=a.bondCount;0<=--b;)a.bo[b].index=b;this.vwr.setShapeProperty(1,"reportAll",null);return!0});c$=t(function(){this.shapeVisibilityFlags=this.energy=this.order=this.colix=this.mad=this.atomIndex2=this.atomIndex1=0;n(this,arguments)},JV,"Connection");r(c$,function(a,b,c,g,f,e,h){this.atomIndex1=a;this.atomIndex2=b;this.mad=c;this.colix=g;this.order=f;this.energy=e;this.shapeVisibilityFlags=h},"~N,~N,~N,~N,~N,~N,~N")});s("JV");u(["java.util.Hashtable"], +"JV.StatusManager","java.lang.Boolean $.Float JU.Lst $.PT J.api.Interface J.c.CBK JS.SV JU.Logger JV.JC".split(" "),function(){c$=t(function(){this.cbl=this.jsl=this.vwr=null;this.statusList="";this.allowStatusReporting=!1;this.messageQueue=null;this.statusPtr=0;this.imageMap=this.jmolScriptCallbacks=null;this.minSyncRepeatMs=100;this.stereoSync=this.syncDisabled=this.isSynced=this.drivingSync=this.syncingMouse=this.syncingScripts=!1;this.qualityPNG=this.qualityJPG=-1;this.audios=this.imageType=null; +n(this,arguments)},JV,"StatusManager");O(c$,function(){this.messageQueue=new java.util.Hashtable;this.jmolScriptCallbacks=new java.util.Hashtable});r(c$,function(a){this.vwr=a},"JV.Viewer");c(c$,"recordStatus",function(a){return this.allowStatusReporting&&0c.length?"Jmol":3>c.length||c[2].equals("null")?c[1].substring(c[1].lastIndexOf("/")+1):c[2];c=this.jmolScriptCallback(J.c.CBK.IMAGE);this.notifyEnabled(J.c.CBK.IMAGE)&&this.cbl.notifyCallback(J.c.CBK.IMAGE,w(-1,[c,a,b]));if(Boolean.TRUE.equals(b)){if(null!=this.imageMap){for(var c=new JU.Lst, +g,f=this.imageMap.keySet().iterator();f.hasNext()&&((g=f.next())||1);)c.addLast(g);for(g=c.size();0<=--g;)this.imageMap.get(c.get(g)).closeMe()}}else null==this.imageMap&&(this.imageMap=new java.util.Hashtable),g=this.imageMap.get(a),Boolean.FALSE.equals(b)?null!=g&&g.closeMe():(null==g&&null!=b&&(g=this.vwr.apiPlatform.getImageDialog(a,this.imageMap)),null!=g&&(null==b?g.closeMe():g.setImage(b)))},"~S,~O");c(c$,"setFileLoadStatus",function(a,b,c,g,f,e,h){null==a&&"resetUndo".equals(b)&&(b=this.vwr.getProperty("DATA_API", +"getAppConsole",null),null!=b&&b.zap(),b=this.vwr.getZapName());this.setStatusChanged("fileLoaded",f,a,!1);null!=g&&this.setStatusChanged("fileLoadError",f,g,!1);var j=this.jmolScriptCallback(J.c.CBK.LOADSTRUCT);e&&this.notifyEnabled(J.c.CBK.LOADSTRUCT)&&(e=this.vwr.getP("_smilesString"),0!=e.length&&(b=e),this.cbl.notifyCallback(J.c.CBK.LOADSTRUCT,w(-1,[j,a,b,c,g,Integer.$valueOf(f),this.vwr.getP("_modelNumber"),this.vwr.getModelNumberDotted(this.vwr.ms.mc-1),h])))},"~S,~S,~S,~S,~N,~B,Boolean"); +c(c$,"setStatusModelKit",function(a){var b=1==a?"ON":"OFF";this.setStatusChanged("modelkit",a,b,!1);a=this.jmolScriptCallback(J.c.CBK.MODELKIT);this.notifyEnabled(J.c.CBK.MODELKIT)&&this.cbl.notifyCallback(J.c.CBK.MODELKIT,w(-1,[a,b]))},"~N");c(c$,"setStatusFrameChanged",function(a,b,c,g,f,e,h){if(null!=this.vwr.ms){var j=this.vwr.am.animationOn,l=j?-2-f:f;this.setStatusChanged("frameChanged",l,0<=f?this.vwr.getModelNumberDotted(f):"",!1);var n=this.jmolScriptCallback(J.c.CBK.ANIMFRAME);this.notifyEnabled(J.c.CBK.ANIMFRAME)&& +this.cbl.notifyCallback(J.c.CBK.ANIMFRAME,w(-1,[n,z(-1,[l,a,b,c,g,f]),h,Float.$valueOf(e)]));j||this.vwr.checkMenuUpdate()}},"~N,~N,~N,~N,~N,~N,~S");c(c$,"setStatusDragDropped",function(a,b,c,g){this.setStatusChanged("dragDrop",0,"",!1);var f=this.jmolScriptCallback(J.c.CBK.DRAGDROP);if(!this.notifyEnabled(J.c.CBK.DRAGDROP))return!1;this.cbl.notifyCallback(J.c.CBK.DRAGDROP,w(-1,[f,Integer.$valueOf(a),Integer.$valueOf(b),Integer.$valueOf(c),g]));return!0},"~N,~N,~N,~S");c(c$,"setScriptEcho",function(a, +b){if(null!=a){this.setStatusChanged("scriptEcho",0,a,!1);var c=this.jmolScriptCallback(J.c.CBK.ECHO);this.notifyEnabled(J.c.CBK.ECHO)&&this.cbl.notifyCallback(J.c.CBK.ECHO,w(-1,[c,a,Integer.$valueOf(b?1:0)]))}},"~S,~B");c(c$,"setStatusMeasuring",function(a,b,c,g){this.setStatusChanged(a,b,c,!1);var f=null;a.equals("measureCompleted")?(JU.Logger.info("measurement["+b+"] = "+c),f=this.jmolScriptCallback(J.c.CBK.MEASURE)):a.equals("measurePicked")&&(this.setStatusChanged("measurePicked",b,c,!1),JU.Logger.info("measurePicked "+ +b+" "+c));this.notifyEnabled(J.c.CBK.MEASURE)&&this.cbl.notifyCallback(J.c.CBK.MEASURE,w(-1,[f,c,Integer.$valueOf(b),a,Float.$valueOf(g)]))},"~S,~N,~S,~N");c(c$,"notifyError",function(a,b,c){var g=this.jmolScriptCallback(J.c.CBK.ERROR);this.notifyEnabled(J.c.CBK.ERROR)&&this.cbl.notifyCallback(J.c.CBK.ERROR,w(-1,[g,a,b,this.vwr.getShapeErrorState(),c]))},"~S,~S,~S");c(c$,"notifyMinimizationStatus",function(a,b,c,g,f){var e=this.jmolScriptCallback(J.c.CBK.MINIMIZATION);this.notifyEnabled(J.c.CBK.MINIMIZATION)&& +this.cbl.notifyCallback(J.c.CBK.MINIMIZATION,w(-1,[e,a,b,c,g,f]))},"~S,Integer,Float,Float,~S");c(c$,"setScriptStatus",function(a,b,c,g){if(-1>c)a=-2-c,this.setStatusChanged("scriptStarted",a,b,!1),a="script "+a+" started";else if(null==a)return;var f=0==c?this.jmolScriptCallback(J.c.CBK.SCRIPT):null,e="Script completed"===a;if(this.recordStatus("script")){var h=null!=g;this.setStatusChanged(h?"scriptError":"scriptStatus",0,a,!1);if(h||e)this.setStatusChanged("scriptTerminated",1,"Jmol script terminated"+ +(h?" unsuccessfully: "+a:" successfully"),!1)}e&&(this.vwr.getBoolean(603979879)&&this.vwr.getBoolean(603979825))&&(a=this.vwr.getChimeMessenger().scriptCompleted(this,b,g));b=w(-1,[f,a,b,Integer.$valueOf(e?-1:c),g]);this.notifyEnabled(J.c.CBK.SCRIPT)&&this.cbl.notifyCallback(J.c.CBK.SCRIPT,b);this.processScript(b)},"~S,~S,~N,~S");c(c$,"processScript",function(a){var b=a[3].intValue();this.vwr.notifyScriptEditor(b,a);0==b&&this.vwr.sendConsoleMessage(null==a[1]?null:a[1].toString())},"~A");c(c$,"doSync", +function(){return this.isSynced&&this.drivingSync&&!this.syncDisabled});c(c$,"setSync",function(a){this.syncingMouse?null!=a&&this.syncSend(a,"*",0):this.syncingScripts||this.syncSend("!"+this.vwr.tm.getMoveToText(this.minSyncRepeatMs/1E3,!1),"*",0)},"~S");c(c$,"setSyncDriver",function(a){this.stereoSync&&4!=a&&(this.syncSend("SET_GRAPHICS_OFF","*",0),this.stereoSync=!1);switch(a){case 4:if(!this.syncDisabled)return;this.syncDisabled=!1;break;case 3:this.syncDisabled=!0;break;case 5:this.stereoSync= +this.isSynced=this.drivingSync=!0;break;case 1:this.isSynced=this.drivingSync=!0;break;case 2:this.drivingSync=!1;this.isSynced=!0;break;default:this.isSynced=this.drivingSync=!1}JU.Logger.debugging&&JU.Logger.debug(this.vwr.appletName+" sync mode="+a+"; synced? "+this.isSynced+"; driving? "+this.drivingSync+"; disabled? "+this.syncDisabled)},"~N");c(c$,"syncSend",function(a,b,c){return 0!=c||this.notifyEnabled(J.c.CBK.SYNC)?(a=w(-1,[null,a,b,Integer.$valueOf(c)]),null!=this.cbl&&this.cbl.notifyCallback(J.c.CBK.SYNC, +a),a[0]):null},"~S,~O,~N");c(c$,"modifySend",function(a,b,c,g){var f=this.jmolScriptCallback(J.c.CBK.STRUCTUREMODIFIED);this.notifyEnabled(J.c.CBK.STRUCTUREMODIFIED)&&this.cbl.notifyCallback(J.c.CBK.STRUCTUREMODIFIED,w(-1,[f,Integer.$valueOf(c),Integer.$valueOf(a),Integer.$valueOf(b),g]))},"~N,~N,~N,~S");c(c$,"processService",function(a){var b=a.get("service");if(null==b)return null;if(q(b,JS.SV)){var b=new java.util.Hashtable,c;for(a=a.entrySet().iterator();a.hasNext()&&((c=a.next())||1);)b.put(c.getKey(), +JS.SV.oValue(c.getValue()));a=b}this.notifyEnabled(J.c.CBK.SERVICE)&&this.cbl.notifyCallback(J.c.CBK.SERVICE,w(-1,[null,a]));return a},"java.util.Map");c(c$,"getSyncMode",function(){return!this.isSynced?0:this.drivingSync?1:2});c(c$,"showUrl",function(a){null!=this.jsl&&this.jsl.showUrl(a)},"~S");c(c$,"clearConsole",function(){this.vwr.sendConsoleMessage(null);null!=this.jsl&&this.cbl.notifyCallback(J.c.CBK.MESSAGE,null)});c(c$,"functionXY",function(a,b,c){return null==this.jsl?H(Math.abs(b),Math.abs(c), +0):this.jsl.functionXY(a,b,c)},"~S,~N,~N");c(c$,"functionXYZ",function(a,b,c,g){return null==this.jsl?H(Math.abs(b),Math.abs(c),Math.abs(c),0):this.jsl.functionXYZ(a,b,c,g)},"~S,~N,~N,~N");c(c$,"jsEval",function(a){return null==this.jsl?"":this.jsl.eval(a)},"~S");c(c$,"createImage",function(a,b,c,g,f){return null==this.jsl?null:this.jsl.createImage(a,b,null==c?g:c,f)},"~S,~S,~S,~A,~N");c(c$,"getRegistryInfo",function(){return null==this.jsl?null:this.jsl.getRegistryInfo()});c(c$,"dialogAsk",function(a, +b,c){var g=a.equals("Save Image"),f=J.api.Interface.getOption("dialog.Dialog",this.vwr,"status");if(null==f)return null;f.setupUI(!1);g&&f.setImageInfo(this.qualityJPG,this.qualityPNG,this.imageType);a=f.getFileNameFromDialog(this.vwr,a,b);g&&null!=a&&(this.qualityJPG=f.getQuality("JPG"),this.qualityPNG=f.getQuality("PNG"),g=f.getType(),null!=c&&(c.put("qualityJPG",Integer.$valueOf(this.qualityJPG)),c.put("qualityPNG",Integer.$valueOf(this.qualityPNG)),null!=g&&c.put("dialogImageType",g)),null!=g&& +(this.imageType=g));return a},"~S,~S,java.util.Map");c(c$,"getJspecViewProperties",function(a){return null==this.jsl?null:this.jsl.getJSpecViewProperty(null==a||0==a.length?"":":"+a)},"~S");c(c$,"resizeInnerPanel",function(a,b){return null==this.jsl||a==this.vwr.getScreenWidth()&&b==this.vwr.getScreenHeight()?z(-1,[a,b]):this.jsl.resizeInnerPanel("preferredWidthHeight "+a+" "+b+";")},"~N,~N");c(c$,"resizeInnerPanelString",function(a){null!=this.jsl&&this.jsl.resizeInnerPanel(a)},"~S");c(c$,"registerAudio", +function(a,b){this.stopAudio(a);null==this.audios&&(this.audios=new java.util.Hashtable);null==b?this.audios.remove(a):this.audios.put(a,b.get("audioPlayer"))},"~S,java.util.Map");c(c$,"stopAudio",function(a){null!=this.audios&&(a=this.audios.get(a),null!=a&&a.action("kill"))},"~S");c(c$,"playAudio",function(a){if(this.vwr.getBoolean(603979797))try{var b=null==a?"close":a.get("action"),c=null==a?null:a.get("id");if(null!=b&&0r.length())&&(h?Float.isNaN(g)||0==g:0==f))return!1;var n=null;null==q&&(n=JU.V3.newVsub(c,b),e&&n.scale(-1),this.internalRotationCenter.setT(b),this.rotationAxis.setT(n),this.internalTranslation=null==r?null:JU.V3.newV(r));b=null!=j;if(h)return null==q?(0==f&&(f=NaN),Float.isNaN(f)?this.rotationRate= -g:(p=y(Math.abs(f)/Math.abs(g)*this.spinFps+0.5),this.rotationRate=f/p*this.spinFps,null!=r&&this.internalTranslation.scale(1/p)),this.internalRotationAxis.setVA(n,0.017453292*(Float.isNaN(this.rotationRate)?0:this.rotationRate)),this.isSpinInternal=!0,this.isSpinFixed=!1,this.isSpinSelected=b):f=g,this.setSpin(a,!0,f,m,q,j,l),!Float.isNaN(f);a=0.017453292*f;this.internalRotationAxis.setVA(n,a);this.rotateAxisAngleRadiansInternal(a,j,p);return!1},"J.api.JmolScriptEvaluator,JU.T3,JU.T3,~N,~N,~B,~B,JU.BS,~B,JU.V3,JU.Lst,~A,JU.M4"); +this.axisangleT.angle=a;this.rotateAxisAngle2(this.axisangleT,b)},"~N,JU.BS");c(c$,"rotateAboutPointsInternal",function(a,b,c,g,f,e,h,j,l,n,m,p,q){h&&this.setSpinOff();this.setNavOn(!1);if(null==p&&(null==n||0.001>n.length())&&(h?Float.isNaN(g)||0==g:0==f))return!1;var r=null;null==p&&(r=JU.V3.newVsub(c,b),e&&r.scale(-1),this.internalRotationCenter.setT(b),this.rotationAxis.setT(r),this.internalTranslation=null==n?null:JU.V3.newV(n));b=null!=j;if(h)return null==p?(0==f&&(f=NaN),Float.isNaN(f)?this.rotationRate= +g:(q=y(Math.abs(f)/Math.abs(g)*this.spinFps+0.5),this.rotationRate=f/q*this.spinFps,null!=n&&this.internalTranslation.scale(1/q)),this.internalRotationAxis.setVA(r,0.017453292*(Float.isNaN(this.rotationRate)?0:this.rotationRate)),this.isSpinInternal=!0,this.isSpinFixed=!1,this.isSpinSelected=b):f=g,this.setSpin(a,!0,f,m,p,j,l),!Float.isNaN(f);a=0.017453292*f;this.internalRotationAxis.setVA(r,a);this.rotateAxisAngleRadiansInternal(a,j,q);return!1},"J.api.JmolScriptEvaluator,JU.T3,JU.T3,~N,~N,~B,~B,JU.BS,~B,JU.V3,JU.Lst,~A,JU.M4"); c(c$,"rotateAxisAngleRadiansInternal",function(a,b,c){this.internalRotationAngle=a;this.vectorT.set(this.internalRotationAxis.x,this.internalRotationAxis.y,this.internalRotationAxis.z);this.matrixRotate.rotate2(this.vectorT,this.vectorT2);this.axisangleT.setVA(this.vectorT2,a);this.applyRotation(this.matrixTemp3.setAA(this.axisangleT),!0,b,this.internalTranslation,1E6this.zSlabPercentSetting&&(this.zDepthPercentSetting=a)},"~N");c(c$,"zDepthToPercent",function(a){this.zDepthPercentSetting=a;this.zDepthPercentSetting>this.zSlabPercentSetting&&(this.zSlabPercentSetting=a)},"~N");c(c$,"slabInternal",function(a,b){b?(this.depthPlane=a,this.depthPercentSetting=0):(this.slabPlane=a,this.slabPercentSetting=100);this.slabDepthChanged()}, "JU.P4,~B");c(c$,"setSlabDepthInternal",function(a){a?this.depthPlane=null:this.slabPlane=null;this.finalizeTransformParameters();this.slabInternal(this.getSlabDepthPlane(a),a)},"~B");c(c$,"getSlabDepthPlane",function(a){if(a){if(null!=this.depthPlane)return this.depthPlane}else if(null!=this.slabPlane)return this.slabPlane;var b=this.matrixTransform;return JU.P4.new4(-b.m20,-b.m21,-b.m22,-b.m23+(a?this.depthValue:this.slabValue))},"~B");c(c$,"getCameraFactors",function(){this.aperatureAngle=360* Math.atan2(this.screenPixelCount/2,this.referencePlaneOffset)/3.141592653589793;this.cameraDistanceFromCenter=this.referencePlaneOffset/this.scalePixelsPerAngstrom;var a=JU.P3.new3(y(this.screenWidth/2),y(this.screenHeight/2),this.referencePlaneOffset);this.unTransformPoint(a,a);var b=JU.P3.new3(y(this.screenWidth/2),y(this.screenHeight/2),0);this.unTransformPoint(b,b);b.sub(this.fixedRotationCenter);var c=JU.P3.new3(y(this.screenWidth/2),y(this.screenHeight/2),this.cameraDistanceFromCenter*this.scalePixelsPerAngstrom); -this.unTransformPoint(c,c);c.sub(this.fixedRotationCenter);b.add(c);return v(-1,[a,b,this.fixedRotationCenter,JU.P3.new3(this.cameraDistanceFromCenter,this.aperatureAngle,this.scalePixelsPerAngstrom)])});c(c$,"setPerspectiveDepth",function(a){this.perspectiveDepth!=a&&(this.perspectiveDepth=a,this.vwr.g.setB("perspectiveDepth",a),this.resetFitToScreen(!1))},"~B");c(c$,"getPerspectiveDepth",function(){return this.perspectiveDepth});c(c$,"setCameraDepthPercent",function(a,b){this.resetNavigationPoint(b); +this.unTransformPoint(c,c);c.sub(this.fixedRotationCenter);b.add(c);return w(-1,[a,b,this.fixedRotationCenter,JU.P3.new3(this.cameraDistanceFromCenter,this.aperatureAngle,this.scalePixelsPerAngstrom)])});c(c$,"setPerspectiveDepth",function(a){this.perspectiveDepth!=a&&(this.perspectiveDepth=a,this.vwr.g.setB("perspectiveDepth",a),this.resetFitToScreen(!1))},"~B");c(c$,"getPerspectiveDepth",function(){return this.perspectiveDepth});c(c$,"setCameraDepthPercent",function(a,b){this.resetNavigationPoint(b); var c=0>a?-a/100:a;0!=c&&(this.cameraDepthSetting=c,this.vwr.g.setF("cameraDepth",this.cameraDepthSetting),this.cameraDepth=NaN)},"~N,~B");c(c$,"getCameraDepth",function(){return this.cameraDepthSetting});c(c$,"setScreenParameters0",function(a,b,c,g,f,e){2147483647!=a&&(this.screenWidth=a,this.screenHeight=b,this.useZoomLarge=c,this.width=(this.antialias=g)?2*a:a,this.height=g?2*b:b,this.scaleFitToScreen(!1,c,f,e))},"~N,~N,~B,~B,~B,~B");c(c$,"setAntialias",function(a){var b=this.antialias!=a;this.width= (this.antialias=a)?2*this.screenWidth:this.screenWidth;this.height=this.antialias?2*this.screenHeight:this.screenHeight;b&&this.scaleFitToScreen(!1,this.useZoomLarge,!1,!1)},"~B");c(c$,"defaultScaleToScreen",function(a){return this.screenPixelCount/2/a},"~N");c(c$,"resetFitToScreen",function(a){this.scaleFitToScreen(a,this.vwr.g.zoomLarge,!0,!0)},"~B");c(c$,"scaleFitToScreen",function(a,b,c,g){0==this.width||0==this.height?this.screenPixelCount=1:(this.fixedTranslation.set(this.width*(a?0.5:this.xTranslationFraction), this.height*(a?0.5:this.yTranslationFraction),0),this.setTranslationFractions(),a&&this.camera.set(0,0,0),g&&this.resetNavigationPoint(c),this.zoomHeight&&(b=this.height>this.width),this.screenPixelCount=b==this.height>this.width?this.height:this.width);2a)return 0;var c=this.scaleToPerspective(a,b*this.scalePixelsPerAngstrom/ 1E3);return 0this.zmPctSet&&(this.zmPctSet=5);2E5this.slabRange?this.zValueFromPercent(this.slabPercentSetting):y(Math.floor(this.modelCenterOffset*this.slabRange/(2*this.modelRadius)*(this.zmPctSet/100)));this.depthValue=this.zValueFromPercent(this.depthPercentSetting);this.zSlabPercentSetting==this.zDepthPercentSetting?(this.zSlabValue=this.slabValue,this.zDepthValue=this.depthValue):(this.zSlabValue=this.zValueFromPercent(this.zSlabPercentSetting), -this.zDepthValue=this.zValueFromPercent(this.zDepthPercentSetting));if(null!=this.zSlabPoint)try{this.transformPt3f(this.zSlabPoint,this.pointT2),this.zSlabValue=B(this.pointT2.z)}catch(a){if(!E(a,Exception))throw a;}this.vwr.g.setO("_slabPlane",JU.Escape.eP4(this.getSlabDepthPlane(!1)));this.vwr.g.setO("_depthPlane",JU.Escape.eP4(this.getSlabDepthPlane(!0)));this.slabEnabled||(this.slabValue=0,this.depthValue=2147483647)});c(c$,"zValueFromPercent",function(a){return y(Math.floor((1-a/50)*this.modelRadiusPixels+ +this.zDepthValue=this.zValueFromPercent(this.zDepthPercentSetting));if(null!=this.zSlabPoint)try{this.transformPt3f(this.zSlabPoint,this.pointT2),this.zSlabValue=A(this.pointT2.z)}catch(a){if(!G(a,Exception))throw a;}this.vwr.g.setO("_slabPlane",JU.Escape.eP4(this.getSlabDepthPlane(!1)));this.vwr.g.setO("_depthPlane",JU.Escape.eP4(this.getSlabDepthPlane(!0)));this.slabEnabled||(this.slabValue=0,this.depthValue=2147483647)});c(c$,"zValueFromPercent",function(a){return y(Math.floor((1-a/50)*this.modelRadiusPixels+ this.modelCenterOffset))},"~N");c(c$,"calcTransformMatrix",function(){this.matrixTransform.setIdentity();this.vectorTemp.sub2(this.frameOffset,this.fixedRotationCenter);this.matrixTransform.setTranslation(this.vectorTemp);this.matrixTemp.setToM3(this.stereoFrame?this.matrixStereo:this.matrixRotate);this.matrixTransform.mul2(this.matrixTemp,this.matrixTransform);this.matrixTemp.setIdentity();this.matrixTemp.m00=this.matrixTemp.m11=this.matrixTemp.m22=this.scalePixelsPerAngstrom;this.matrixTemp.m11= -this.matrixTemp.m22=-this.scalePixelsPerAngstrom;this.matrixTransform.mul2(this.matrixTemp,this.matrixTransform);this.matrixTransform.m23+=this.modelCenterOffset;try{this.matrixTransformInv.setM4(this.matrixTransform).invert()}catch(a){if(E(a,Exception))System.out.println("ERROR INVERTING matrixTransform!");else throw a;}});c(c$,"rotatePoint",function(a,b){this.matrixRotate.rotate2(a,b);b.y=-b.y},"JU.T3,JU.T3");c(c$,"getScreenTemp",function(a){this.matrixTransform.rotTrans2(a,this.fScrPt)},"JU.T3"); +this.matrixTemp.m22=-this.scalePixelsPerAngstrom;this.matrixTransform.mul2(this.matrixTemp,this.matrixTransform);this.matrixTransform.m23+=this.modelCenterOffset;try{this.matrixTransformInv.setM4(this.matrixTransform).invert()}catch(a){if(G(a,Exception))System.out.println("ERROR INVERTING matrixTransform!");else throw a;}});c(c$,"rotatePoint",function(a,b){this.matrixRotate.rotate2(a,b);b.y=-b.y},"JU.T3,JU.T3");c(c$,"getScreenTemp",function(a){this.matrixTransform.rotTrans2(a,this.fScrPt)},"JU.T3"); c(c$,"transformPtScr",function(a,b){b.setT(this.transformPt(a))},"JU.T3,JU.P3i");c(c$,"transformPtScrT3",function(a,b){this.transformPt(a);b.setT(this.fScrPt)},"JU.T3,JU.T3");c(c$,"transformPt3f",function(a,b){this.applyPerspective(a,a);b.setT(this.fScrPt)},"JU.T3,JU.P3");c(c$,"transformPtNoClip",function(a,b){this.applyPerspective(a,null);b.setT(this.fScrPt)},"JU.T3,JU.T3");c(c$,"transformPt",function(a){return this.applyPerspective(a,this.internalSlab?a:null)},"JU.T3");c(c$,"transformPtVib",function(a, -b){this.ptVibTemp.setT(a);return this.applyPerspective(this.getVibrationPoint(b,this.ptVibTemp,NaN),a)},"JU.P3,JU.Vibration");c(c$,"getVibrationPoint",function(a,b,c){return a.setCalcPoint(b,this.vibrationT,Float.isNaN(c)?this.vibrationScale:c,this.vwr.g.modulationScale)},"JU.Vibration,JU.T3,~N");c(c$,"transformPt2D",function(a){-3.4028235E38==a.z?(this.iScrPt.x=y(Math.floor(a.x/100*this.screenWidth)),this.iScrPt.y=y(Math.floor((1-a.y/100)*this.screenHeight))):(this.iScrPt.x=B(a.x),this.iScrPt.y= -this.screenHeight-B(a.y));this.antialias&&(this.iScrPt.x<<=1,this.iScrPt.y<<=1);this.matrixTransform.rotTrans2(this.fixedRotationCenter,this.fScrPt);this.iScrPt.z=B(this.fScrPt.z);return this.iScrPt},"JU.T3");c(c$,"applyPerspective",function(a,b){this.getScreenTemp(a);var c=this.fScrPt.z;Float.isNaN(c)?(!this.haveNotifiedNaN&&JU.Logger.debugging&&JU.Logger.debug("NaN seen in TransformPoint"),this.haveNotifiedNaN=!0,c=this.fScrPt.z=1):0>=c&&(c=this.fScrPt.z=1);switch(this.mode){case 1:this.fScrPt.x-= +b){this.ptVibTemp.setT(a);return this.applyPerspective(this.getVibrationPoint(b,this.ptVibTemp,NaN),a)},"JU.P3,JU.Vibration");c(c$,"getVibrationPoint",function(a,b,c){return a.setCalcPoint(b,this.vibrationT,Float.isNaN(c)?this.vibrationScale:c,this.vwr.g.modulationScale)},"JU.Vibration,JU.T3,~N");c(c$,"transformPt2D",function(a){-3.4028235E38==a.z?(this.iScrPt.x=y(Math.floor(a.x/100*this.screenWidth)),this.iScrPt.y=y(Math.floor((1-a.y/100)*this.screenHeight))):(this.iScrPt.x=A(a.x),this.iScrPt.y= +this.screenHeight-A(a.y));this.antialias&&(this.iScrPt.x<<=1,this.iScrPt.y<<=1);this.matrixTransform.rotTrans2(this.fixedRotationCenter,this.fScrPt);this.iScrPt.z=A(this.fScrPt.z);return this.iScrPt},"JU.T3");c(c$,"applyPerspective",function(a,b){this.getScreenTemp(a);var c=this.fScrPt.z;Float.isNaN(c)?(!this.haveNotifiedNaN&&JU.Logger.debugging&&JU.Logger.debug("NaN seen in TransformPoint"),this.haveNotifiedNaN=!0,c=this.fScrPt.z=1):0>=c&&(c=this.fScrPt.z=1);switch(this.mode){case 1:this.fScrPt.x-= this.navigationShiftXY.x;this.fScrPt.y-=this.navigationShiftXY.y;break;case 2:this.fScrPt.x+=this.perspectiveShiftXY.x,this.fScrPt.y+=this.perspectiveShiftXY.y}this.perspectiveDepth&&(c=this.getPerspectiveFactor(c),this.fScrPt.x*=c,this.fScrPt.y*=c);switch(this.mode){case 1:this.fScrPt.x+=this.navigationOffset.x;this.fScrPt.y+=this.navigationOffset.y;break;case 2:this.fScrPt.x-=this.perspectiveShiftXY.x,this.fScrPt.y-=this.perspectiveShiftXY.y;case 0:this.fScrPt.x+=this.fixedRotationOffset.x,this.fScrPt.y+= -this.fixedRotationOffset.y}Float.isNaN(this.fScrPt.x)&&!this.haveNotifiedNaN&&(JU.Logger.debugging&&JU.Logger.debug("NaN found in transformPoint "),this.haveNotifiedNaN=!0);this.iScrPt.set(B(this.fScrPt.x),B(this.fScrPt.y),B(this.fScrPt.z));null!=b&&this.xyzIsSlabbedInternal(b)&&(this.fScrPt.z=this.iScrPt.z=1);return this.iScrPt},"JU.T3,JU.T3");c(c$,"xyzIsSlabbedInternal",function(a){return null!=this.slabPlane&&0a.x*this.depthPlane.x+a.y*this.depthPlane.y+a.z*this.depthPlane.z+this.depthPlane.w},"JU.T3");c(c$,"move",function(a,b,c,g,f,e,h){this.movetoThread=J.api.Interface.getOption("thread.MoveToThread",this.vwr,"tm");this.movetoThread.setManager(this,this.vwr,v(-1,[b,g,I(-1,[c,f,e,h])]));0this.ptTest3.distance(this.ptTest2)},"JU.V3,~N");c(c$,"moveToPyMOL",function(a,b,c){var g=JU.M3.newA9(c);g.invert();var f=c[9],e=-c[10],h=-c[11],j=JU.P3.new3(c[12],c[13],c[14]),l=c[15],r=c[16],m=c[17];this.setPerspectiveDepth(!(0<=m));var m=Math.abs(m)/2,q=Math.tan(3.141592653589793*m/180),m=h* -q,q=0.5/q-0.5,p=50/m;0f&&-0.01=b)this.setAll(c,e,m,h,j,l,p,f,s,q,n,t,u,x),this.vwr.moveUpdate(b),this.vwr.finalizeTransformParameters();else try{null==this.movetoThread&&(this.movetoThread=J.api.Interface.getOption("thread.MoveToThread",this.vwr,"tm"));var A=this.movetoThread.setManager(this,this.vwr,v(-1,[c,e,m,I(-1,[b,h,j,l,p,f,s,q,n,t,u,x])]));0>=A||this.vwr.g.waitForMoveTo?(0a.x*this.depthPlane.x+a.y*this.depthPlane.y+a.z*this.depthPlane.z+this.depthPlane.w},"JU.T3");c(c$,"move",function(a,b,c,g,f,e,h){this.movetoThread=J.api.Interface.getOption("thread.MoveToThread",this.vwr,"tm");this.movetoThread.setManager(this,this.vwr,w(-1,[b,g,H(-1,[c,f,e,h])]));0this.ptTest3.distance(this.ptTest2)},"JU.V3,~N");c(c$,"moveToPyMOL",function(a,b,c){var g=JU.M3.newA9(c);g.invert();var f=c[9],e=-c[10],h=-c[11],j=JU.P3.new3(c[12],c[13],c[14]),l=c[15],n=c[16],m=c[17];this.setPerspectiveDepth(!(0<=m));var m=Math.abs(m)/2,p=Math.tan(3.141592653589793*m/180),m=h* +p,p=0.5/p-0.5,q=50/m;0f&&-0.01=b)this.setAll(c,e,m,h,j,l,n,f,r,p,q,s,t,u),this.vwr.moveUpdate(b),this.vwr.finalizeTransformParameters();else try{null==this.movetoThread&&(this.movetoThread=J.api.Interface.getOption("thread.MoveToThread",this.vwr,"tm"));var z=this.movetoThread.setManager(this,this.vwr,w(-1,[c,e,m,H(-1,[b,h,j,l,n,f,r,p,q,s,t,u])]));0>=z||this.vwr.g.waitForMoveTo?(0a)return"{0 0 1 0}";this.vectorT.normalize();this.vectorT.scale(1E3);b.append("{");JV.TransformManager.truncate0(b,this.vectorT.x);JV.TransformManager.truncate0(b,this.vectorT.y);JV.TransformManager.truncate0(b,this.vectorT.z);JV.TransformManager.truncate2(b,a);b.append("}");return b.toString()});c(c$,"getMoveToText",function(a,b){this.finalizeTransformParameters();var c=new JU.SB;c.append("moveto ");b&&c.append("/* time, axisAngle */ "); c.appendF(a);c.append(" ").append(this.getRotationText());b&&c.append(" /* zoom, translation */ ");JV.TransformManager.truncate2(c,this.zmPctSet);JV.TransformManager.truncate2(c,this.getTranslationXPercent());JV.TransformManager.truncate2(c,this.getTranslationYPercent());c.append(" ");b&&c.append(" /* center, rotationRadius */ ");c.append(this.getCenterText());c.append(" ").appendF(this.modelRadius);c.append(this.getNavigationText(b));b&&c.append(" /* cameraDepth, cameraX, cameraY */ ");JV.TransformManager.truncate2(c, this.cameraDepth);JV.TransformManager.truncate2(c,this.cameraSetting.x);JV.TransformManager.truncate2(c,this.cameraSetting.y);c.append(";");return c.toString()},"~N,~B");c(c$,"getCenterText",function(){return JU.Escape.eP(this.fixedRotationCenter)});c(c$,"getRotateXyzText",function(){var a=new JU.SB,b=this.matrixRotate.m20,c=-(57.29577951308232*Math.asin(b)),g;0.999b?(b=-(57.29577951308232*Math.atan2(this.matrixRotate.m12,this.matrixRotate.m11)),g=0):(b=57.29577951308232*Math.atan2(this.matrixRotate.m21, @@ -2318,9 +2340,9 @@ a.append(";navigate 0 translate"),JV.TransformManager.truncate2(a,this.getNaviga Math.acos(g);0.999g?(g=57.29577951308232*Math.atan2(c.m10,c.m11),c=0):(g=57.29577951308232*Math.atan2(c.m21,-c.m20),c=57.29577951308232*Math.atan2(c.m12,c.m02));0!=g&&(0!=f&&0!=c&&a)&&b.append("#Follows Z-Y-Z convention for Euler angles\n");b.append("reset");b.append(";center ").append(this.getCenterText());0!=g&&(b.append("; rotate z"),JV.TransformManager.truncate2(b,g));0!=f&&(b.append("; rotate y"),JV.TransformManager.truncate2(b,f));0!=c&&(b.append("; rotate z"),JV.TransformManager.truncate2(b, c));b.append(";");this.addZoomTranslationNavigationText(b);return b.toString()},"~B");c$.truncate0=c(c$,"truncate0",function(a,b){a.appendC(" ");a.appendI(Math.round(b))},"JU.SB,~N");c$.truncate2=c(c$,"truncate2",function(a,b){a.appendC(" ");a.appendF(Math.round(100*b)/100)},"JU.SB,~N");c(c$,"setSpinXYZ",function(a,b,c){Float.isNaN(a)||(this.spinX=a);Float.isNaN(b)||(this.spinY=b);Float.isNaN(c)||(this.spinZ=c);(this.isSpinInternal||this.isSpinFixed)&&this.clearSpin()},"~N,~N,~N");c(c$,"setSpinFps", function(a){0>=a?a=1:50this.vwr.ms.mc?(this.vibrationOn=!1,this.vibrationT.x=0):(null==this.vibrationThread&&(this.vibrationThread=J.api.Interface.getOption("thread.VibrationThread",this.vwr,"tm"),this.vibrationThread.setManager(this,this.vwr,null),this.vibrationThread.start()),this.vibrationOn= !0):(null!=this.vibrationThread&&(this.vibrationThread.interrupt(),this.vibrationThread=null),this.vibrationOn=!1,this.vibrationT.x=0)},"~B");c(c$,"clearVibration",function(){this.setVibrationOn(!1);this.vibrationScale=0});c(c$,"setStereoMode2",function(a){this.stereoMode=J.c.STER.CUSTOM;this.stereoColors=a},"~A");c(c$,"setStereoMode",function(a){this.stereoColors=null;this.stereoMode=a;this.stereoDoubleDTI=a===J.c.STER.DTI;this.stereoDoubleFull=a===J.c.STER.DOUBLE},"J.c.STER");c(c$,"setStereoDegrees", function(a){this.stereoDegrees=a;this.stereoRadians=0.017453292*a},"~N");c(c$,"getStereoRotationMatrix",function(a){this.stereoFrame=a;if(!a)return this.matrixRotate;this.matrixTemp3.setAsYRotation(-this.stereoRadians);this.matrixStereo.mul2(this.matrixTemp3,this.matrixRotate);return this.matrixStereo},"~B");c(c$,"isWindowCentered",function(){return this.windowCentered});c(c$,"setWindowCentered",function(a){this.windowCentered=a;this.resetNavigationPoint(!0)},"~B");c(c$,"setRotationRadius",function(a, @@ -2339,21 +2361,21 @@ c}switch(this.mode){case 1:this.untransformedPoint.x+=this.navigationShiftXY.x;t j.x*this.width,j.y*this.height),this.setNavigatePt(h))},"~N,~N,~B,~B,~B,~B");c(c$,"navInterrupt",function(){null!=this.nav&&this.nav.interrupt()});c(c$,"getNav",function(){if(null!=this.nav)return!0;this.nav=J.api.Interface.getOption("navigate.Navigator",this.vwr,"tm");if(null==this.nav)return!1;this.nav.set(this,this.vwr);return!0});c(c$,"navigateList",function(a,b){this.getNav()&&this.nav.navigateList(a,b)},"J.api.JmolScriptEvaluator,JU.Lst");c(c$,"navigateAxis",function(a,b){this.getNav()&&this.nav.navigateAxis(a, b)},"JU.V3,~N");c(c$,"setNavigationOffsetRelative",function(){this.getNav()&&this.nav.setNavigationOffsetRelative()});c(c$,"navigateKey",function(a,b){this.getNav()&&this.nav.navigateKey(a,b)},"~N,~N");c(c$,"setNavigationDepthPercent",function(a){this.getNav()&&this.nav.setNavigationDepthPercent(a)},"~N");c(c$,"navTranslatePercentOrTo",function(a,b,c){this.getNav()&&this.nav.navTranslatePercentOrTo(a,b,c)},"~N,~N,~N");c(c$,"calcNavigationPoint",function(){this.getNav()&&this.nav.calcNavigationPoint()}); c(c$,"getNavigationState",function(){return 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JM.ModelSet JS.SV $.T J.thread.TimeoutThread JU.BSUtil $.C $.CommandHistory $.Elements $.Escape $.GData $.JmolMolecule $.Logger $.Parser $.TempArray JV.ActionManager $.AnimationManager $.ColorManager $.FileManager $.GlobalSettings $.JC $.ModelManager $.SelectionManager $.ShapeManager $.StateManager $.StatusManager $.TransformManager JV.binding.Binding".split(" "), function(){c$=t(function(){this.queueOnHold=this.isSingleThreaded=this.haveDisplay=this.autoExit=this.testAsync=!1;this.fullName="";this.fm=this.ms=this.definedAtomSets=this.compiler=null;this.mustRender=this.listCommands=this.isSyntaxCheck=this.isSyntaxAndFileCheck=this.isJNLP=this.isApplet=!1;this.appletName=this.htmlName="";this.tryPt=0;this.insertedCommand="";this.tm=this.sm=this.g=this.rm=this.slm=this.shm=this.dm=this.cm=this.am=this.acm=this.html5Applet=this.gdata=null;this.logFilePath=this.syncId= "";this.useCommandThread=this.noGraphicsAllowed=this.multiTouch=this.isSilent=this.isSignedAppletLocal=this.isSignedApplet=this.isPrintOnly=this.allowScripting=!1;this.tempArray=this.eval=this.scm=this.stm=this.mm=this.commandHistory=this.access=this.modelAdapter=this.display=this.vwrOptions=this.commandOptions=null;this.async=this.allowArrayDotNotation=!1;this.executor=null;this.screenHeight=this.screenWidth=0;this.errorMessageUntranslated=this.errorMessage=this.chainList=this.chainMap=this.rd=this.defaultVdw= -this.actionStatesRedo=this.actionStates=null;this.privateKey=0;this.headless=this.isPreviewOnly=this.dataOnly=!1;this.lastData=this.jsc=this.smilesMatcher=this.minimizer=this.dssrParser=this.annotationParser=this.ligandModelSet=this.ligandModels=this.mouse=this.movableBitSet=null;this.motionEventNumber=0;this.inMotion=!1;this.refreshing=!0;this.axesAreTainted=!1;this.maximumSize=2147483647;this.gRight=null;this.isStereoSlave=!1;this.imageFontScaling=1;this.jsParams=this.captureParams=null;this.antialiased= -!1;this.hoverAtomIndex=-1;this.hoverText=null;this.hoverLabel="%U";this.hoverEnabled=!0;this.currentCursor=0;this.ptTemp=null;this.prevFrame=-2147483648;this.prevMorphModel=0;this.haveJDX=!1;this.jsv=null;this.selectionHalosEnabled=!1;this.noFrankEcho=this.frankOn=!0;this.scriptEditorVisible=!1;this.pm=this.headlessImageParams=this.modelkit=this.jmolpopup=this.scriptEditor=this.appConsole=null;this.isTainted=!0;this.showSelected=this.movingSelected=!1;this.atomHighlighted=-1;this.creatingImage=!1; -this.userVdwMars=this.userVdws=this.bsUserVdws=this.outputManager=null;this.currentShapeID=-1;this.localFunctions=this.currentShapeState=null;this.$isKiosk=!1;this.displayLoadErrors=!0;this.$isParallel=!1;this.stateScriptVersionInt=0;this.timeouts=this.jsExporter3D=null;this.chainCaseSpecified=!1;this.macros=this.nboParser=this.triangulator=this.jsonParser=this.jcm=this.jbr=this.jzt=this.logFileName=this.nmrCalculation=null;s(this,arguments)},JV,"Viewer",J.api.JmolViewer,[J.atomdata.AtomDataServer, -J.api.PlatformViewer]);c(c$,"finalize",function(){JU.Logger.debugging&&JU.Logger.debug("vwr finalize "+this);W(this,JV.Viewer,"finalize",[])});c(c$,"setInsertedCommand",function(a){this.insertedCommand=a},"~S");c$.getJmolVersion=j(c$,"getJmolVersion",function(){return null==JV.Viewer.version_date?JV.Viewer.version_date=JV.JC.version+" "+JV.JC.date:JV.Viewer.version_date});c$.allocateViewer=c(c$,"allocateViewer",function(a,b,c,g,f,e,h,j){var l=new java.util.Hashtable;l.put("display",a);l.put("adapter", -b);l.put("statusListener",h);l.put("platform",j);l.put("options",e);l.put("fullName",c);l.put("documentBase",g);l.put("codeBase",f);return new JV.Viewer(l)},"~O,J.api.JmolAdapter,~S,java.net.URL,java.net.URL,~S,J.api.JmolStatusListener,J.api.GenericPlatform");n(c$,function(a){H(this,JV.Viewer,[]);this.commandHistory=new JU.CommandHistory;this.rd=new J.atomdata.RadiusData(null,0,null,null);this.defaultVdw=J.c.VDW.JMOL;this.localFunctions=new java.util.Hashtable;this.privateKey=Math.random();this.actionStates= -new JU.Lst;this.actionStatesRedo=new JU.Lst;this.chainMap=new java.util.Hashtable;this.chainList=new JU.Lst;this.setOptions(a)},"java.util.Map");c(c$,"haveAccess",function(a){return this.access===a},"JV.Viewer.ACCESS");j(c$,"getModelAdapter",function(){return null==this.modelAdapter?this.modelAdapter=new J.adapter.smarter.SmarterJmolAdapter:this.modelAdapter});j(c$,"getSmartsMatch",function(a,b){null==b&&(b=this.bsA());return this.getSmilesMatcher().getSubstructureSet(a,this.ms.at,this.ms.ac,b,2)}, -"~S,JU.BS");c(c$,"getSmartsMatchForNodes",function(a,b){return this.getSmilesMatcher().getSubstructureSet(a,b,b.length,null,2)},"~S,~A");c(c$,"getSmartsMap",function(a,b,c){null==b&&(b=this.bsA());0==c&&(c=2);return this.getSmilesMatcher().getCorrelationMaps(a,this.ms.at,this.ms.ac,b,c)},"~S,JU.BS,~N");c(c$,"setOptions",function(a){this.vwrOptions=a;JU.Logger.debugging&&JU.Logger.debug("Viewer constructor "+this);this.modelAdapter=a.get("adapter");var b=a.get("statusListener");this.fullName=a.get("fullName"); -null==this.fullName&&(this.fullName="");var c=a.get("codePath");null==c&&(c="../java/");JV.Viewer.appletCodeBase=c.toString();JV.Viewer.appletIdiomaBase=JV.Viewer.appletCodeBase.substring(0,JV.Viewer.appletCodeBase.lastIndexOf("/",JV.Viewer.appletCodeBase.length-2)+1)+"idioma";c=a.get("documentBase");JV.Viewer.appletDocumentBase=null==c?"":c.toString();c=a.get("options");this.commandOptions=null==c?"":c.toString();(a.containsKey("debug")||0<=this.commandOptions.indexOf("-debug"))&&JU.Logger.setLogLevel(5); -this.isApplet&&a.containsKey("maximumSize")&&this.setMaximumSize(a.get("maximumSize").intValue());(this.isJNLP=this.checkOption2("isJNLP","-jnlp"))&&JU.Logger.info("setting JNLP mode TRUE");this.isApplet=(this.isSignedApplet=this.isJNLP||this.checkOption2("signedApplet","-signed"))||this.checkOption2("applet","-applet");this.allowScripting=!this.checkOption2("noscripting","-noscripting");var g=this.fullName.indexOf("__");this.htmlName=0>g?this.fullName:this.fullName.substring(0,g);this.appletName= -JU.PT.split(this.htmlName+"_","_")[0];this.syncId=0>g?"":this.fullName.substring(g+2,this.fullName.length-2);this.access=this.checkOption2("access:READSPT","-r")?JV.Viewer.ACCESS.READSPT:this.checkOption2("access:NONE","-R")?JV.Viewer.ACCESS.NONE:JV.Viewer.ACCESS.ALL;(this.isPreviewOnly=a.containsKey("previewOnly"))&&a.remove("previewOnly");this.isPrintOnly=this.checkOption2("printOnly","-p");this.dataOnly=this.checkOption2("isDataOnly","\x00");this.autoExit=this.checkOption2("exit","-x");c=a.get("platform"); -g="unknown";null==c&&(c=this.commandOptions.contains("platform=")?this.commandOptions.substring(this.commandOptions.indexOf("platform=")+9):"J.awt.Platform");if(p(c,String)){g=c;JV.Viewer.isWebGL=0<=g.indexOf(".awtjs.");JV.Viewer.isJS=JV.Viewer.isJSNoAWT=JV.Viewer.isWebGL||0<=g.indexOf(".awtjs2d.");this.async=!this.dataOnly&&!this.autoExit&&(this.testAsync||JV.Viewer.isJS&&a.containsKey("async"));var f=c=null,e="?";self.Jmol&&(f=Jmol,c=Jmol._applets[this.htmlName.split("_object")[0]],e=Jmol._version); -null!=e&&(this.html5Applet=c,JV.Viewer.jmolObject=f,JV.Viewer.strJavaVersion=e,JV.Viewer.strJavaVendor="Java2Script "+((this,JV.Viewer).isWebGL?"(WebGL)":"(HTML5)"));c=J.api.Interface.getInterface(g,this,"setOptions")}this.apiPlatform=c;this.display=a.get("display");this.isSingleThreaded=this.apiPlatform.isSingleThreaded();this.noGraphicsAllowed=this.checkOption2("noDisplay","-n");this.headless=this.apiPlatform.isHeadless();this.haveDisplay=JV.Viewer.isWebGL||null!=this.display&&!this.noGraphicsAllowed&& +this.actionStatesRedo=this.actionStates=null;this.privateKey=0;this.dataOnly=!1;this.maximumSize=2147483647;this.gRight=null;this.isStereoSlave=!1;this.imageFontScaling=1;this.antialiased=!1;this.prevFrame=-2147483648;this.prevMorphModel=0;this.haveJDX=!1;this.jzt=this.outputManager=this.jsv=null;this.headless=this.isPreviewOnly=!1;this.lastData=this.jsc=this.smilesMatcher=this.minimizer=this.dssrParser=this.annotationParser=this.ligandModelSet=this.ligandModels=this.mouse=this.movableBitSet=null; +this.motionEventNumber=0;this.inMotion=!1;this.refreshing=!0;this.axesAreTainted=!1;this.jsParams=this.captureParams=null;this.cirChecked=!1;this.hoverAtomIndex=-1;this.hoverText=null;this.hoverLabel="%U";this.hoverEnabled=!0;this.currentCursor=0;this.ptTemp=null;this.selectionHalosEnabled=!1;this.noFrankEcho=this.frankOn=!0;this.scriptEditorVisible=!1;this.pm=this.headlessImageParams=this.modelkit=this.jmolpopup=this.scriptEditor=this.appConsole=null;this.isTainted=!0;this.showSelected=this.movingSelected= +!1;this.atomHighlighted=-1;this.creatingImage=!1;this.userVdwMars=this.userVdws=this.bsUserVdws=null;this.currentShapeID=-1;this.localFunctions=this.currentShapeState=null;this.$isKiosk=!1;this.displayLoadErrors=!0;this.$isParallel=!1;this.stateScriptVersionInt=0;this.timeouts=this.jsExporter3D=null;this.chainCaseSpecified=!1;this.macros=this.nboParser=this.triangulator=this.jsonParser=this.jcm=this.jbr=this.logFileName=this.nmrCalculation=null;this.consoleFontScale=1;n(this,arguments)},JV,"Viewer", +J.api.JmolViewer,[J.atomdata.AtomDataServer,J.api.PlatformViewer]);c(c$,"finalize",function(){JU.Logger.debugging&&JU.Logger.debug("vwr finalize "+this);W(this,JV.Viewer,"finalize",[])});c(c$,"setInsertedCommand",function(a){this.insertedCommand=a},"~S");c$.getJmolVersion=j(c$,"getJmolVersion",function(){return null==JV.Viewer.version_date?JV.Viewer.version_date=JV.JC.version+" "+JV.JC.date:JV.Viewer.version_date});c$.allocateViewer=c(c$,"allocateViewer",function(a,b,c,g,f,e,h,j){var l=new java.util.Hashtable; +l.put("display",a);l.put("adapter",b);l.put("statusListener",h);l.put("platform",j);l.put("options",e);l.put("fullName",c);l.put("documentBase",g);l.put("codeBase",f);return new JV.Viewer(l)},"~O,J.api.JmolAdapter,~S,java.net.URL,java.net.URL,~S,J.api.JmolStatusListener,J.api.GenericPlatform");r(c$,function(a){K(this,JV.Viewer,[]);this.commandHistory=new JU.CommandHistory;this.rd=new J.atomdata.RadiusData(null,0,null,null);this.defaultVdw=J.c.VDW.JMOL;this.localFunctions=new java.util.Hashtable;this.privateKey= +Math.random();this.actionStates=new JU.Lst;this.actionStatesRedo=new JU.Lst;this.chainMap=new java.util.Hashtable;this.chainList=new JU.Lst;this.setOptions(a)},"java.util.Map");c(c$,"haveAccess",function(a){return this.access===a},"JV.Viewer.ACCESS");j(c$,"getModelAdapter",function(){return null==this.modelAdapter?this.modelAdapter=new J.adapter.smarter.SmarterJmolAdapter:this.modelAdapter});j(c$,"getSmartsMatch",function(a,b){null==b&&(b=this.bsA());return this.getSmilesMatcher().getSubstructureSet(a, +this.ms.at,this.ms.ac,b,2)},"~S,JU.BS");c(c$,"getSmartsMatchForNodes",function(a,b){return this.getSmilesMatcher().getSubstructureSet(a,b,b.length,null,2)},"~S,~A");c(c$,"getSmartsMap",function(a,b,c){null==b&&(b=this.bsA());0==c&&(c=2);return this.getSmilesMatcher().getCorrelationMaps(a,this.ms.at,this.ms.ac,b,c)},"~S,JU.BS,~N");c(c$,"setOptions",function(a){this.vwrOptions=a;JU.Logger.debugging&&JU.Logger.debug("Viewer constructor "+this);this.modelAdapter=a.get("adapter");var b=a.get("statusListener"); +this.fullName=a.get("fullName");null==this.fullName&&(this.fullName="");var c=a.get("codePath");null==c&&(c="../java/");JV.Viewer.appletCodeBase=c.toString();JV.Viewer.appletIdiomaBase=JV.Viewer.appletCodeBase.substring(0,JV.Viewer.appletCodeBase.lastIndexOf("/",JV.Viewer.appletCodeBase.length-2)+1)+"idioma";c=a.get("documentBase");JV.Viewer.appletDocumentBase=null==c?"":c.toString();c=a.get("options");this.commandOptions=null==c?"":c.toString();(a.containsKey("debug")||0<=this.commandOptions.indexOf("-debug"))&& +JU.Logger.setLogLevel(5);this.isApplet&&a.containsKey("maximumSize")&&this.setMaximumSize(a.get("maximumSize").intValue());(this.isJNLP=this.checkOption2("isJNLP","-jnlp"))&&JU.Logger.info("setting JNLP mode TRUE");this.isApplet=(this.isSignedApplet=this.isJNLP||this.checkOption2("signedApplet","-signed"))||this.checkOption2("applet","-applet");this.allowScripting=!this.checkOption2("noscripting","-noscripting");var g=this.fullName.indexOf("__");this.htmlName=0>g?this.fullName:this.fullName.substring(0, +g);this.appletName=JU.PT.split(this.htmlName+"_","_")[0];this.syncId=0>g?"":this.fullName.substring(g+2,this.fullName.length-2);this.access=this.checkOption2("access:READSPT","-r")?JV.Viewer.ACCESS.READSPT:this.checkOption2("access:NONE","-R")?JV.Viewer.ACCESS.NONE:JV.Viewer.ACCESS.ALL;(this.isPreviewOnly=a.containsKey("previewOnly"))&&a.remove("previewOnly");this.isPrintOnly=this.checkOption2("printOnly","-p");this.dataOnly=this.checkOption2("isDataOnly","\x00");this.autoExit=this.checkOption2("exit", +"-x");c=a.get("platform");g="unknown";null==c&&(c=this.commandOptions.contains("platform=")?this.commandOptions.substring(this.commandOptions.indexOf("platform=")+9):"J.awt.Platform");if(q(c,String)){g=c;JV.Viewer.isWebGL=0<=g.indexOf(".awtjs.");JV.Viewer.isJS=JV.Viewer.isJSNoAWT=JV.Viewer.isWebGL||0<=g.indexOf(".awtjs2d.");this.async=!this.dataOnly&&!this.autoExit&&(this.testAsync||JV.Viewer.isJS&&a.containsKey("async"));var f=c=null,e="?";self.Jmol&&(f=Jmol,c=Jmol._applets[this.htmlName.split("_object")[0]], +e=Jmol._version);null!=e&&(this.html5Applet=c,JV.Viewer.jmolObject=f,JV.Viewer.strJavaVersion=e,JV.Viewer.strJavaVendor="Java2Script "+(JV.Viewer.isWebGL?"(WebGL)":"(HTML5)"));c=J.api.Interface.getInterface(g,this,"setOptions")}this.apiPlatform=c;this.display=a.get("display");this.isSingleThreaded=this.apiPlatform.isSingleThreaded();this.noGraphicsAllowed=this.checkOption2("noDisplay","-n");this.headless=this.apiPlatform.isHeadless();this.haveDisplay=JV.Viewer.isWebGL||null!=this.display&&!this.noGraphicsAllowed&& !this.headless&&!this.dataOnly;this.noGraphicsAllowed=(new Boolean(this.noGraphicsAllowed&null==this.display)).valueOf();this.headless=(new Boolean(this.headless|this.noGraphicsAllowed)).valueOf();this.haveDisplay?(this.mustRender=!0,this.multiTouch=this.checkOption2("multiTouch","-multitouch"),this.isWebGL||(this.display=document.getElementById(this.display))):this.display=null;this.apiPlatform.setViewer(this,this.display);c=a.get("graphicsAdapter");null==c&&!JV.Viewer.isWebGL&&(c=J.api.Interface.getOption("g3d.Graphics3D", this,"setOptions"));this.gdata=null==c&&(JV.Viewer.isWebGL||!JV.Viewer.isJS)?new JU.GData:c;this.gdata.initialize(this,this.apiPlatform);this.stm=new JV.StateManager(this);this.cm=new JV.ColorManager(this,this.gdata);this.sm=new JV.StatusManager(this);g=a.containsKey("4DMouse");this.tm=JV.TransformManager.getTransformManager(this,2147483647,0,g);this.slm=new JV.SelectionManager(this);this.haveDisplay&&(this.acm=this.multiTouch?J.api.Interface.getOption("multitouch.ActionManagerMT",null,null):new JV.ActionManager, this.acm.setViewer(this,this.commandOptions+"-multitouch-"+a.get("multiTouch")),this.mouse=this.apiPlatform.getMouseManager(this.privateKey,this.display),this.multiTouch&&!this.checkOption2("-simulated","-simulated")&&this.apiPlatform.setTransparentCursor(this.display));this.mm=new JV.ModelManager(this);this.shm=new JV.ShapeManager(this);this.tempArray=new JU.TempArray;this.am=new JV.AnimationManager(this);c=a.get("repaintManager");null==c&&(c=J.api.Interface.getOption("render.RepaintManager",this, @@ -2361,290 +2383,298 @@ this.acm.setViewer(this,this.commandOptions+"-multitouch-"+a.get("multiTouch")), JU.Logger.info("setting current directory to "+b),this.cd(b)),b=JV.Viewer.appletDocumentBase,g=b.indexOf("#"),0<=g&&(b=b.substring(0,g)),g=b.lastIndexOf("?"),0<=g&&(b=b.substring(0,g)),g=b.lastIndexOf("/"),0<=g&&(b=b.substring(0,g)),JV.Viewer.jsDocumentBase=b,this.fm.setAppletContext(JV.Viewer.appletDocumentBase),b=a.get("appletProxy"),null!=b&&this.setStringProperty("appletProxy",b),this.isSignedApplet?(this.logFilePath=JU.PT.rep(JV.Viewer.appletCodeBase,"file://",""),this.logFilePath=JU.PT.rep(this.logFilePath, "file:/",""),0<=this.logFilePath.indexOf("//")?this.logFilePath=null:this.isSignedAppletLocal=!0):JV.Viewer.isJS||(this.logFilePath=null),new J.i18n.GT(this,a.get("language")),JV.Viewer.isJS&&this.acm.createActions()):(this.gdata.setBackgroundTransparent(this.checkOption2("backgroundTransparent","-b")),(this.isSilent=this.checkOption2("silent","-i"))&&JU.Logger.setLogLevel(3),this.headless&&!this.isSilent&&JU.Logger.info("Operating headless display="+this.display+" nographicsallowed="+this.noGraphicsAllowed), this.isSyntaxCheck=(this.isSyntaxAndFileCheck=this.checkOption2("checkLoad","-C"))||this.checkOption2("check","-c"),this.listCommands=this.checkOption2("listCommands","-l"),this.cd("."),this.headless&&(this.headlessImageParams=a.get("headlessImage"),c=a.get("headlistMaxTimeMs"),null==c&&(c=Integer.$valueOf(6E4)),this.setTimeout(""+Math.random(),c.intValue(),"exitJmol")));this.useCommandThread=!this.headless&&this.checkOption2("useCommandThread","-threaded");this.setStartupBooleans();this.setIntProperty("_nProcessors", -JV.Viewer.nProcessors);this.isSilent||JU.Logger.info("(C) 2015 Jmol Development\nJmol Version: "+JV.Viewer.getJmolVersion()+"\njava.vendor: "+JV.Viewer.strJavaVendor+"\njava.version: "+JV.Viewer.strJavaVersion+"\nos.name: "+JV.Viewer.strOSName+"\nAccess: "+this.access+"\nmemory: "+this.getP("_memory")+"\nprocessors available: "+JV.Viewer.nProcessors+"\nuseCommandThread: "+this.useCommandThread+(!this.isApplet?"":"\nappletId:"+this.htmlName+(this.isSignedApplet?" 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+this.scriptEditor=JV.Viewer.isJS||null==this.appConsole?null:this.appConsole.getScriptEditor(),this.appConsole;case 100:return null==this.appConsole&&(null!=c&&c.booleanValue())&&(this.getProperty("DATA_API","getAppConsole",Boolean.TRUE),this.scriptEditor=null==this.appConsole?null:this.appConsole.getScriptEditor()),this.scriptEditor;case 120:return null!=this.jmolpopup&&this.jmolpopup.jpiDispose(),this.jmolpopup=null,this.menuStructure=c;case 140:return this.getSymTemp().getSpaceGroupInfo(this.ms, +null,-1,!1,null);case 160:return this.g.disablePopupMenu=!0,null;case 180:return this.g.defaultDirectory;case 200:return q(c,String)?this.getMenu(c):this.getPopupMenu();case 220:return this.shm.getProperty(c);case 240:return this.sm.syncSend("getPreference",c,1)}JU.Logger.error("ERROR in getProperty DATA_API: "+b);return null},"~S,~S,~O");c(c$,"notifyMouseClicked",function(a,b,c,g){var 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this.scm});c(c$,"checkOption2",function(a,b){return this.vwrOptions.containsKey(a)&&!this.vwrOptions.get(a).toString().equals("false")||0<=this.commandOptions.indexOf(b)},"~S,~S");c(c$,"setStartupBooleans",function(){this.setBooleanProperty("_applet",this.isApplet); +this.setBooleanProperty("_jspecview",!1);this.setBooleanProperty("_signedApplet",this.isSignedApplet);this.setBooleanProperty("_headless",this.headless);this.setStringProperty("_restrict",'"'+this.access+'"');this.setBooleanProperty("_useCommandThread",this.useCommandThread)});c(c$,"getExportDriverList",function(){return this.haveAccess(JV.Viewer.ACCESS.ALL)?this.g.getParameter("exportDrivers",!0):""});j(c$,"dispose",function(){this.gRight=null;null!=this.mouse&&(this.acm.dispose(),this.mouse.dispose(), 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JV.GlobalSettings(this,this.g,a);this.setStartupBooleans();this.setWidthHeightVar();this.haveDisplay&&(this.g.setB("_is2D",JV.Viewer.isJS&&!JV.Viewer.isWebGL),this.g.setB("_multiTouchClient",this.acm.isMTClient()), +this.g.setB("_multiTouchServer",this.acm.isMTServer()));this.cm.setDefaultColors(!1);this.setObjectColor("background","black");this.setObjectColor("axis1","red");this.setObjectColor("axis2","green");this.setObjectColor("axis3","blue");this.am.setAnimationOn(!1);this.am.setAnimationFps(this.g.animationFps);this.sm.playAudio(null);this.sm.allowStatusReporting=this.g.statusReporting;this.setBooleanProperty("antialiasDisplay",b?!0:this.g.antialiasDisplay);this.stm.resetLighting();this.tm.setDefaultPerspective()}, +"~B,~B");c(c$,"saveModelOrientation",function(){this.ms.saveModelOrientation(this.am.cmi,this.stm.getOrientation())});c(c$,"restoreModelOrientation",function(a){a=this.ms.getModelOrientation(a);null!=a&&a.restore(-1,!0)},"~N");c(c$,"restoreModelRotation",function(a){a=this.ms.getModelOrientation(a);null!=a&&a.restore(-1,!1)},"~N");c(c$,"getGLmolView",function(){var a=this.tm,b=a.fixedRotationCenter,c=a.getRotationQ();return{center:b,quaternion:c,xtrans:a.xTranslationFraction,ytrans:a.yTranslationFraction, +scale:a.scalePixelsPerAngstrom,zoom:a.zmPctSet,cameraDistance:a.cameraDistance,pixelCount:a.screenPixelCount,perspective:a.perspectiveDepth,width:a.width,height:a.height}});c(c$,"setRotationRadius",function(a,b){b&&(a=this.tm.setRotationRadius(a,!1));this.ms.setRotationRadius(this.am.cmi,a)&&this.g.setF("rotationRadius",a)},"~N,~B");c(c$,"setCenterBitSet",function(a,b){this.isJmolDataFrame()||this.tm.setNewRotationCenter(0c?"spin":"nav")+a,b)}},"~S,~N");c(c$,"getSpinState",function(){return this.getStateCreator().getSpinState(!1)});c(c$,"getOrientationText",function(a,b,c){switch(a){case 1312817669:case 1814695966:case 1073741864:case 1111492629:case 1111492630:case 1111492631:case 134221850:null==c&&(c=this.bsA());if(c.isEmpty())return 1312817669==a?"0":1814695966==a?null: +new JU.Quat;c=this.ms.getBoundBoxOrientation(a,c);return"best"===b&&1312817669!=a?c.div(this.tm.getRotationQ()):c;case 1073742034:return this.stm.getSavedOrientationText(b);default:return this.tm.getOrientationText(a,"best"===b)}},"~N,~S,JU.BS");c(c$,"getCurrentColorRange",function(){return this.cm.getPropertyColorRange()});c(c$,"setDefaultColors",function(a){this.cm.setDefaultColors(a);this.g.setB("colorRasmol",a);this.g.setO("defaultColorScheme",a?"rasmol":"jmol")},"~B");c(c$,"setElementArgb",function(a, +b){this.g.setO("=color "+JU.Elements.elementNameFromNumber(a),JU.Escape.escapeColor(b));this.cm.setElementArgb(a,b)},"~N,~N");j(c$,"setVectorScale",function(a){this.g.setF("vectorScale",a);this.g.vectorScale=a},"~N");j(c$,"setVibrationScale",function(a){this.tm.setVibrationScale(a);this.g.vibrationScale=a;this.g.setF("vibrationScale",a)},"~N");j(c$,"setVibrationPeriod",function(a){this.tm.setVibrationPeriod(a);a=Math.abs(a);this.g.vibrationPeriod=a;this.g.setF("vibrationPeriod",a)},"~N");c(c$,"setObjectColor", +function(a,b){null==b||0==b.length||this.setObjectArgb(a,JU.CU.getArgbFromString(b))},"~S,~S");c(c$,"setObjectVisibility",function(a,b){var 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g=JV.StateManager.getObjectIdFromName(b.equalsIgnoreCase("axes")?"axis":b);if(!(0>g)){if(-2==c||-4==c){var f=c+3;c=this.getObjectMad10(g);0==c&&(c=f)}this.g.setB("show"+b,0!=c);this.g.objStateOn[g]=0!=c;0!=c&&(this.g.objMad10[g]=c,this.setShapeSize(a,c,null))}},"~N,~S,~N");c(c$,"getObjectMad10",function(a){return this.g.objStateOn[a]?this.g.objMad10[a]:0},"~N");c(c$,"setPropertyColorScheme",function(a,b,c){this.g.propertyColorScheme=a;a.startsWith("translucent ")&&(b=!0,a=a.substring(12).trim()); +this.cm.setPropertyColorScheme(a,b,c)},"~S,~B,~B");c(c$,"getLightingState",function(){return this.getStateCreator().getLightingState(!0)});c(c$,"getColorPointForPropertyValue",function(a){return 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JU.BS},"J.api.JmolScriptEvaluator,~O");c(c$,"processTwoPointGesture",function(a){this.mouse.processTwoPointGesture(a)},"~A");c(c$,"processMouseEvent",function(a,b,c,g,f){return this.mouse.processEvent(a, +b,c,g,f)},"~N,~N,~N,~N,~N");c(c$,"getRubberBandSelection",function(){return this.haveDisplay?this.acm.getRubberBand():null});c(c$,"isBound",function(a,b){return this.haveDisplay&&this.acm.bnd(a,[b])},"~N,~N");c(c$,"getCursorX",function(){return this.haveDisplay?this.acm.getCurrentX():0});c(c$,"getCursorY",function(){return this.haveDisplay?this.acm.getCurrentY():0});c(c$,"getDefaultDirectory",function(){return this.g.defaultDirectory});c(c$,"getLocalUrl",function(a){return this.apiPlatform.getLocalUrl(a)}, +"~S");c(c$,"getFileAsString",function(a){return this.getAsciiFileOrNull(a)},"~S");j(c$,"getBufferedInputStream",function(a){return this.fm.getBufferedInputStream(a)},"~S");c(c$,"setLoadParameters",function(a,b){null==a&&(a=new java.util.Hashtable);a.put("vwr",this);0a.indexOf("# Jmol state")){for(var e=2;0<=(f=a.indexOf(b,f+1));)e++;var h=Array(e),j=0,l=0;for(f=0;fj&&(j=a.length),h[f]=a.substring(l,j),l=j+b.length;return this.openStringsInlineParamsAppend(h,g,c)}return this.openStringInlineParamsAppend(a,g, c)},"~S,~S,~B,java.util.Map");c$.fixInlineString=c(c$,"fixInlineString",function(a,b){var c;0<=a.indexOf("\\/n")&&(a=JU.PT.rep(a,"\n",""),a=JU.PT.rep(a,"\\/n","\n"),b=String.fromCharCode(0));if(0!=b.charCodeAt(0)&&"\n"!=b){var g=0<=a.indexOf("\n"),f=a.length;for(c=0;c":this.getFileAsString4(b,-1,!0,!1,!1,a)},"~S");c(c$,"getFullPathNameOrError",function(a){var b=Array(2);this.fm.getFullPathNameOrError(a,!1,b);return b},"~S");c(c$,"getFileAsString3",function(a,b,c){return this.getFileAsString4(a,-1,!1,!1,b,c)},"~S,~B,~S");c(c$,"getFileAsString4",function(a,b,c,g,f,e){if(null==a)return this.getCurrentFileAsString(e);a=v(-1,[a,null]);this.fm.getFileDataAsString(a,b,c,g,f);return a[1]}, -"~S,~N,~B,~B,~B,~S");c(c$,"getAsciiFileOrNull",function(a){a=v(-1,[a,null]);return this.fm.getFileDataAsString(a,-1,!1,!1,!1)?a[1]:null},"~S");c(c$,"autoCalculate",function(a,b){switch(a){case 1111490575:this.ms.getSurfaceDistanceMax();break;case 1111490574:this.ms.calculateStraightnessAll();break;case 1111490587:this.ms.calculateDssrProperty(b)}},"~N,~S");c(c$,"calculateStraightness",function(){this.ms.haveStraightness=!1;this.ms.calculateStraightnessAll()});c(c$,"calculateSurface",function(a,b){null== -a&&(a=this.bsA());if(3.4028235E38==b||-1==b)this.ms.addStateScript("calculate surfaceDistance "+(3.4028235E38==b?"FROM":"WITHIN"),null,a,null,"",!1,!0);return this.ms.calculateSurface(a,b)},"JU.BS,~N");c(c$,"getStructureList",function(){return this.g.getStructureList()});c(c$,"setStructureList",function(a,b){this.g.setStructureList(a,b);this.ms.setStructureList(this.getStructureList())},"~A,J.c.STR");c(c$,"calculateStructures",function(a,b,c,g){null==a&&(a=this.bsA());return this.ms.calculateStructures(a, -b,!this.am.animationOn,this.g.dsspCalcHydrogen,c,g)},"JU.BS,~B,~B,~N");c(c$,"getAnnotationParser",function(a){return a?null==this.dssrParser?this.dssrParser=J.api.Interface.getOption("dssx.DSSR1",this,"script"):this.dssrParser:null==this.annotationParser?this.annotationParser=J.api.Interface.getOption("dssx.AnnotationParser",this,"script"):this.annotationParser},"~B");j(c$,"getSelectedAtomIterator",function(a,b,c,g){return this.ms.getSelectedAtomIterator(a,b,c,!1,g)},"JU.BS,~B,~B,~B");j(c$,"setIteratorForAtom", -function(a,b,c){this.ms.setIteratorForAtom(a,-1,b,c,null)},"J.api.AtomIndexIterator,~N,~N");j(c$,"setIteratorForPoint",function(a,b,c,g){this.ms.setIteratorForPoint(a,b,c,g)},"J.api.AtomIndexIterator,~N,JU.T3,~N");j(c$,"fillAtomData",function(a,b){a.programInfo="Jmol Version "+JV.Viewer.getJmolVersion();a.fileName=this.fm.getFileName();this.ms.fillAtomData(a,b)},"J.atomdata.AtomData,~N");c(c$,"addStateScript",function(a,b,c){return this.ms.addStateScript(a,null,null,null,null,b,c)},"~S,~B,~B");c(c$, -"getMinimizer",function(a){return null==this.minimizer&&a?(this.minimizer=J.api.Interface.getInterface("JM.Minimizer",this,"script")).setProperty("vwr",this):this.minimizer},"~B");c(c$,"getSmilesMatcher",function(){return null==this.smilesMatcher?this.smilesMatcher=J.api.Interface.getInterface("JS.SmilesMatcher",this,"script"):this.smilesMatcher});c(c$,"clearModelDependentObjects",function(){this.setFrameOffsets(null,!1);this.stopMinimization();this.smilesMatcher=this.minimizer=null});c(c$,"zap", 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b=this.getDataObj(a,null,1);a=null==b?null:this.getDataObj(a,null,-1)[2];null!=a&&this.g.rangeSelected&&a.and(this.bsA());this.cm.setPropertyColorRangeData(b,a)},"~S");c(c$,"setData",function(a,b,c,g,f,e,h){this.getDataManager().setData(a,this.lastData=b,c,this.ms.ac,g,f,e,h)},"~S,~A,~N,~N,~N,~N,~N");c(c$,"getDataObj",function(a,b,c){return null==a&&-2==c?this.lastData:this.getDataManager().getData(a,b,c)},"~S,JU.BS,~N");c(c$,"autoHbond",function(a,b,c){null==a&&(a=b=this.bsA());return this.ms.autoHbond(a, -b,c)},"JU.BS,JU.BS,~B");c(c$,"getCurrentUnitCell",function(){if(0<=this.am.cai)return this.ms.getUnitCellForAtom(this.am.cai);var a=this.am.cmi;if(0<=a)return this.ms.getUnitCell(a);for(var a=this.getVisibleFramesBitSet(),b=null,c=a.nextSetBit(0);0<=c;c=a.nextSetBit(c+1)){var g=this.ms.getUnitCell(c);if(null!=g)if(null==b)b=g;else if(!b.unitCellEquals(g))return null}return b});c(c$,"getDefaultMeasurementLabel",function(a){switch(a){case 2:return this.g.defaultDistanceLabel;case 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this.tm.spinOn;if(a.equalsIgnoreCase("isNavigating"))return this.tm.isNavigating(); -if(a.equalsIgnoreCase("showSelections"))return this.selectionHalosEnabled;if(this.g.htUserVariables.containsKey(a)){b=this.g.getUserVariable(a);if(1073742335==b.tok)return!0;if(1073742334==b.tok)return!1}JU.Logger.error("vwr.getBooleanProperty("+a+") - unrecognized");return!1},"~S");j(c$,"getInt",function(a){switch(a){case 553648147:return this.g.infoFontSize;case 553648132:return this.am.animationFps;case 553648141:return this.g.dotDensity;case 553648142:return this.g.dotScale;case 553648144:return this.g.helixStep; -case 553648150:return this.g.meshScale;case 553648153:return this.g.minPixelSelRadius;case 553648154:return this.g.percentVdwAtom;case 553648157:return this.g.pickingSpinRate;case 553648166:return this.g.ribbonAspectRatio;case 536870922:return this.g.scriptDelay;case 553648152:return this.g.minimizationMaxAtoms;case 553648170:return this.g.smallMoleculeMaxAtoms;case 553648184:return 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603979967:this.g.translucent=c;break;case 603979818:this.g.cartoonLadders=c;break;case 603979968:b=this.g.twistedSheets;this.g.twistedSheets=c;b!=c&&this.checkCoordinatesChanged();break;case 603979821:this.gdata.setCel(c);break;case 603979817:this.g.cartoonFancy= -c;break;case 603979934:this.g.showTiming=c;break;case 603979973:this.g.vectorSymmetry=c;break;case 603979867:this.g.isosurfaceKey=c;break;case 603979893:this.g.partialDots=c;break;case 603979872:this.g.legacyAutoBonding=c;break;case 603979826:this.g.defaultStructureDSSP=c;break;case 603979834:this.g.dsspCalcHydrogen=c;break;case 603979782:(this.g.allowModelkit=c)||this.setModelKitMode(!1);break;case 603983903:this.setModelKitMode(c);break;case 603979887:this.g.multiProcessor=c&&1c.indexOf(""))&&this.showString(a+" = 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this.sm.functionXY(a,b,c);b=Math.abs(b);c=Math.abs(c);if(null==g){a=this.getDataObj(a,null,2);if(null!=a)return a;g=""}a=I(b,c,0);var f=I(b*c,0);JU.Parser.parseStringInfestedFloatArray(g,null,f);for(var e=g=0;ga||0==this.ms.ac)return null;a=this.getModelNumberDotted(a)}return this.getModelExtract(a,!0,!1,"V2000")},"~S");c(c$,"getNMRPredict",function(a){a=a.toUpperCase();if(a.equals("H")||a.equals("1H")||a.equals(""))a="H1";else if(a.equals("C")||a.equals("13C"))a="C13";if(!a.equals("NONE")){if(!a.equals("C13")&&!a.equals("H1"))return"Type must be H1 or C13";var b=this.getModelExtract("selected",!0,!1,"V2000"),c=b.indexOf("\n");if(0>c)return null;b="Jmol "+JV.Viewer.version_date+b.substring(c);if(this.isApplet)return this.showUrl(this.g.nmrUrlFormat+ -b),"opening "+this.g.nmrUrlFormat}this.syncScript("true","*",0);this.syncScript(a+"Simulate:",".",0);return"sending request to JSpecView"},"~S");c(c$,"getHelp",function(a){0>this.g.helpPath.indexOf("?")?(0c)return 0;this.clearModelDependentObjects();if(!b){this.sm.modifySend(c,this.ms.at[c].mi,4,"deleting atom "+this.ms.at[c].getAtomName());this.ms.deleteAtoms(a);var g=this.slm.deleteAtoms(a);this.setTainted(!0);this.sm.modifySend(c,this.ms.at[c].mi,-4,"OK");return g}return this.deleteModels(this.ms.at[c].mi,a)},"JU.BS,~B");c(c$,"deleteModels",function(a, -b){this.clearModelDependentObjects();this.sm.modifySend(-1,a,5,"deleting model "+this.getModelNumberDotted(a));this.setCurrentModelIndexClear(0,!1);this.am.setAnimationOn(!1);var c=JU.BSUtil.copy(this.slm.bsDeleted),g=null==b?JU.BSUtil.newAndSetBit(a):this.ms.getModelBS(b,!1),g=this.ms.deleteModels(g);this.slm.processDeletedModelAtoms(g);null!=this.eval&&this.eval.deleteAtomsInVariables(g);this.setAnimationRange(0,0);this.clearRepaintManager(-1);this.am.clear();this.am.initializePointers(1);this.setCurrentModelIndexClear(1< -this.ms.mc?-1:0,1this.currentShapeID)return"";this.shm.releaseShape(this.currentShapeID);this.clearRepaintManager(this.currentShapeID);return JV.JC.getShapeClassName(this.currentShapeID,!1)+" "+this.currentShapeState});c(c$,"handleError",function(a,b){try{b&&this.zapMsg(""+a),this.undoClear(),0==JU.Logger.getLogLevel()&&JU.Logger.setLogLevel(4),this.setCursor(0),this.setBooleanProperty("refreshing",!0),this.fm.setPathForAllFiles(""),JU.Logger.error("vwr handling error condition: "+ -a+" "),JV.Viewer.isJS||a.printStackTrace(),this.notifyError("Error","doClear="+b+"; "+a,""+a)}catch(c){try{JU.Logger.error("Could not notify error "+a+": due to "+c)}catch(g){}}},"Error,~B");c(c$,"getFunctions",function(a){return a?JV.Viewer.staticFunctions:this.localFunctions},"~B");c(c$,"removeFunction",function(a){a=a.toLowerCase();null!=this.getFunction(a)&&(JV.Viewer.staticFunctions.remove(a),this.localFunctions.remove(a))},"~S");c(c$,"getFunction",function(a){if(null==a)return 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null==a?(this.cacheClear(),-1):this.fm.cacheFileByNameAdd(a,b)},"~S,~B");c(c$,"clearThreads",function(){null!=this.eval&&this.eval.stopScriptThreads();this.stopMinimization();this.tm.clearThreads();this.setAnimationOn(!1)});c(c$,"getEvalContextAndHoldQueue",function(a){if(null==a||!JV.Viewer.isJS&&!this.testAsync)return null;a.pushContextDown("getEvalContextAndHoldQueue");a=a.getThisContext();a.setMustResume();this.queueOnHold=a.isJSThread=!0;return a},"J.api.JmolScriptEvaluator"); -j(c$,"resizeInnerPanel",function(a,b){if(!this.autoExit&&this.haveDisplay)return this.sm.resizeInnerPanel(a,b);this.setScreenDimension(a,b);return A(-1,[this.screenWidth,this.screenHeight])},"~N,~N");c(c$,"getDefaultPropertyParam",function(a){return this.getPropertyManager().getDefaultPropertyParam(a)},"~N");c(c$,"getPropertyNumber",function(a){return this.getPropertyManager().getPropertyNumber(a)},"~S");c(c$,"checkPropertyParameter",function(a){return this.getPropertyManager().checkPropertyParameter(a)}, 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p(b,Array)?b:v(-1,[JS.T.o(4,a)])}, -"~S");c(c$,"checkSelect",function(a,b){return null!=this.getScriptManager()&&this.eval.checkSelect(a,b)},"java.util.Map,~A");c(c$,"getAnnotationInfo",function(a,b,c){return this.getAnnotationParser(1111490587==c).getAnnotationInfo(this,a,b,c,this.am.cmi)},"JS.SV,~S,~N");c(c$,"getAtomValidation",function(a,b){return this.getAnnotationParser(!1).getAtomValidation(this,a,b)},"~S,JM.Atom");c(c$,"getJzt",function(){return null==this.jzt?this.jzt=J.api.Interface.getInterface("JU.ZipTools",this,"zip"):this.jzt}); -c(c$,"dragMinimizeAtom",function(a){this.stopMinimization();var b=this.getMotionFixedAtoms().isEmpty()?this.ms.getAtoms(this.ms.isAtomPDB(a)?1086324742:1094713360,JU.BSUtil.newAndSetBit(a)):JU.BSUtil.setAll(this.ms.ac);try{this.minimize(null,2147483647,0,b,null,0,!1,!1,!1,!1)}catch(c){if(E(c,Exception)){if(this.async){var g=this;setTimeout(function(){g.dragMinimizeAtom(a)},100)}}else throw c;}},"~N");c(c$,"getJBR",function(){return null==this.jbr?this.jbr=J.api.Interface.getInterface("JM.BioResolver", -this,"file").setViewer(this):this.jbr});c(c$,"checkMenuUpdate",function(){null!=this.jmolpopup&&this.jmolpopup.jpiUpdateComputedMenus()});c(c$,"getChimeMessenger",function(){return null==this.jcm?this.jcm=J.api.Interface.getInterface("JV.ChimeMessenger",this,"script").set(this):this.jcm});c(c$,"getAuxiliaryInfoForAtoms",function(a){return this.ms.getAuxiliaryInfo(this.ms.getModelBS(this.getAtomBitSet(a),!1))},"~O");c(c$,"getJSJSONParser",function(){return null==this.jsonParser?this.jsonParser=J.api.Interface.getInterface("JU.JSJSONParser", -this,"script"):this.jsonParser});c(c$,"parseJSON",function(a){return null==a?null:a.startsWith("{")?this.parseJSONMap(a):this.parseJSONArray(a)},"~S");c(c$,"parseJSONMap",function(a){return this.getJSJSONParser().parseMap(a,!0)},"~S");c(c$,"parseJSONArray",function(a){return this.getJSJSONParser().parse(a,!0)},"~S");c(c$,"getSymTemp",function(){return J.api.Interface.getSymmetry(this,"ms")});c(c$,"setWindowDimensions",function(a){this.resizeInnerPanel(B(a[0]),B(a[1]))},"~A");c(c$,"getTriangulator", +if(null==g)return"unknown file type";if(g.equals("spt"))return"cannot open script inline";b=this.setLoadParameters(b,c);var g=b.get("loadScript"),f=b.containsKey("isData");null==g&&(g=new JU.SB);c||this.zap(!0,!1,!1);f||this.getStateCreator().getInlineData(g,a,c,b.get("appendToModelIndex"),this.g.defaultLoadFilter);a=this.fm.createAtomSetCollectionFromString(a,b,c);return this.createModelSetAndReturnError(a,c,g,b)},"~S,java.util.Map,~B");c(c$,"openStringsInlineParamsAppend",function(a,b,c){var g= +new JU.SB;c||this.zap(!0,!1,!1);a=this.fm.createAtomSeCollectionFromStrings(a,g,this.setLoadParameters(b,c),c);return this.createModelSetAndReturnError(a,c,g,b)},"~A,java.util.Map,~B");c(c$,"getInlineChar",function(){return this.g.inlineNewlineChar});c(c$,"getDataSeparator",function(){return 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this.getPropertyManager().getModelFileInfo(null)});c(c$,"showEditor",function(a){var b=this.getProperty("DATA_API","getScriptEditor",Boolean.TRUE);null!=b&&b.show(a)}, +"~A");c(c$,"getPropertyManager",function(){null==this.pm&&(this.pm=J.api.Interface.getInterface("JV.PropertyManager",this,"prop")).setViewer(this);return this.pm});c(c$,"setTainted",function(a){this.isTainted=this.axesAreTainted=a&&(this.refreshing||this.creatingImage)},"~B");c(c$,"checkObjectClicked",function(a,b,c){return this.shm.checkObjectClicked(a,b,c,this.getVisibleFramesBitSet(),this.g.drawPicking)},"~N,~N,~N");c(c$,"checkObjectHovered",function(a,b){return 0<=a&&null!=this.shm&&this.shm.checkObjectHovered(a, +b,this.getVisibleFramesBitSet(),this.getBondsPickable())},"~N,~N");c(c$,"checkObjectDragged",function(a,b,c,g,f){var e=0;switch(this.getPickingMode()){case 2:e=5;break;case 4:e=22}return 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this.ms.getModelDipole(this.am.cmi)});c(c$,"calculateMolecularDipole",function(a){try{return this.ms.calculateMolecularDipole(this.am.cmi,a)}catch(b){if(G(b,JV.JmolAsyncException))return null!=this.eval&&this.eval.loadFileResourceAsync(b.getFileName()),null;throw b;}},"JU.BS");c(c$,"setDefaultLattice",function(a){Float.isNaN(a.x+a.y+a.z)||this.g.ptDefaultLattice.setT(a); +this.g.setO("defaultLattice",JU.Escape.eP(a))},"JU.P3");c(c$,"getDefaultLattice",function(){return this.g.ptDefaultLattice});c(c$,"getModelExtract",function(a,b,c,g){return this.getPropertyManager().getModelExtract(this.getAtomBitSet(a),b,c,g,!1)},"~O,~B,~B,~S");j(c$,"getData",function(a,b){return this.getModelFileData(a,b,!0)},"~S,~S");c(c$,"getModelFileData",function(a,b,c){return this.getPropertyManager().getAtomData(a,b,c)},"~S,~S,~B");c(c$,"getModelCml",function(a,b,c,g){return this.getPropertyManager().getModelCml(a, +b,c,g,!1)},"JU.BS,~N,~B,~B");c(c$,"getPdbAtomData",function(a,b,c,g){return this.getPropertyManager().getPdbAtomData(null==a?this.bsA():a,b,c,g,!1)},"JU.BS,JU.OC,~B,~B");c(c$,"isJmolDataFrame",function(){return this.ms.isJmolDataFrameForModel(this.am.cmi)});c(c$,"setFrameTitle",function(a,b){this.ms.setFrameTitle(JU.BSUtil.newAndSetBit(a),b)},"~N,~S");c(c$,"setFrameTitleObj",function(a){this.shm.loadShape(31);this.ms.setFrameTitle(this.getVisibleFramesBitSet(),a)},"~O");c(c$,"getFrameTitle",function(){return this.ms.getFrameTitle(this.am.cmi)}); +c(c$,"setAtomProperty",function(a,b,c,g,f,e,h){1648363544==b&&this.shm.deleteVdwDependentShapes(a);this.clearMinimization();this.ms.setAtomProperty(a,b,c,g,f,e,h);switch(b){case 1111492609:case 1111492610:case 1111492611:case 1111492612:case 1111492613:case 1111492614:case 1111490577:case 1111490578:case 1111490579:case 1086326789:this.refreshMeasures(!0)}},"JU.BS,~N,~N,~N,~S,~A,~A");c(c$,"checkCoordinatesChanged",function(){this.ms.recalculatePositionDependentQuantities(null,null);this.refreshMeasures(!0)}); +c(c$,"setAtomCoords",function(a,b,c){a.isEmpty()||(this.ms.setAtomCoords(a,b,c),this.checkMinimization(),this.sm.setStatusAtomMoved(a))},"JU.BS,~N,~O");c(c$,"setAtomCoordsRelative",function(a,b){null==b&&(b=this.bsA());b.isEmpty()||(this.ms.setAtomCoordsRelative(a,b),this.checkMinimization(),this.sm.setStatusAtomMoved(b))},"JU.T3,JU.BS");c(c$,"invertAtomCoordPt",function(a,b){this.ms.invertSelected(a,null,-1,b);this.checkMinimization();this.sm.setStatusAtomMoved(b)},"JU.P3,JU.BS");c(c$,"invertAtomCoordPlane", +function(a,b){this.ms.invertSelected(null,a,-1,b);this.checkMinimization();this.sm.setStatusAtomMoved(b)},"JU.P4,JU.BS");c(c$,"invertRingAt",function(a,b){var c=this.getAtomBitSet("connected(atomIndex="+a+") and !within(SMARTS,'[r50,R]')"),g=c.cardinality();switch(g){case 0:case 1:return;case 3:case 4:for(var f=z(g,0),e=z(g,0),h=0,j=c.nextSetBit(0);0<=j;j=c.nextSetBit(j+1),h++)f[h]=this.getBranchBitSet(j,a,!0).cardinality(),e[h]=j;for(h=0;h=l&& +c.get(e[j])&&(n=e[j],l=f[j]);c.clear(n)}}b&&this.undoMoveActionClear(a,2,!0);this.invertSelected(null,null,a,c);b&&this.setStatusAtomPicked(a,"inverted: "+JU.Escape.eBS(c),null,!1)},"~N,~B");c(c$,"invertSelected",function(a,b,c,g){null==g&&(g=this.bsA());0!=g.cardinality()&&(this.ms.invertSelected(a,b,c,g),this.checkMinimization(),this.sm.setStatusAtomMoved(g))},"JU.P3,JU.P4,~N,JU.BS");c(c$,"moveAtoms",function(a,b,c,g,f,e,h,j){h.isEmpty()||(this.ms.moveAtoms(a,b,c,g,h,f,e,j),this.checkMinimization(), +this.sm.setStatusAtomMoved(h))},"JU.M4,JU.M3,JU.M3,JU.V3,JU.P3,~B,JU.BS,~B");c(c$,"moveSelected",function(a,b,c,g,f,e,h,j,l){0!=c&&(-2147483648==g&&this.setModelKitRotateBondIndex(-2147483648),this.isJmolDataFrame()||(-2147483648==a?(this.showSelected=!0,this.movableBitSet=this.setMovableBitSet(null,!j),this.shm.loadShape(8),this.refresh(6,"moveSelected")):2147483647==a?this.showSelected&&(this.showSelected=!1,this.movableBitSet=null,this.refresh(6,"moveSelected")):this.movingSelected||(this.movingSelected= +!0,this.stopMinimization(),-2147483648!=g&&null!=this.modelkit&&null!=this.modelkit.getProperty("rotateBondIndex")?this.modelkit.actionRotateBond(a,b,g,f,0!=(l&16)):(e=this.setMovableBitSet(e,!j),e.isEmpty()||(h?(g=this.ms.getAtomSetCenter(e),this.tm.finalizeTransformParameters(),f=this.g.antialiasDisplay?2:1,h=this.tm.transformPt(g),a=-2147483648!=c?JU.P3.new3(h.x,h.y,h.z+c+0.5):JU.P3.new3(h.x+a*f+0.5,h.y+b*f+0.5,h.z),b=new JU.P3,this.tm.unTransformPoint(a,b),b.sub(g),this.setAtomCoordsRelative(b, +e)):this.tm.rotateXYBy(a,b,e))),this.refresh(2,""),this.movingSelected=!1)))},"~N,~N,~N,~N,~N,JU.BS,~B,~B,~N");c(c$,"highlightBond",function(a,b,c,g){if(this.hoverEnabled){var f=null;if(0<=a){b=this.ms.bo[a];f=b.atom2.i;if(!this.ms.isAtomInLastModel(f))return;f=JU.BSUtil.newAndSetBit(f);f.set(b.atom1.i)}this.highlight(f);this.setModelkitProperty("bondIndex",Integer.$valueOf(a));this.setModelkitProperty("screenXY",z(-1,[c,g]));a=this.setModelkitProperty("hoverLabel",Integer.$valueOf(-2-a));null!=a&& +this.hoverOnPt(c,g,a,null,null);this.refresh(3,"highlightBond")}},"~N,~N,~N,~N");c(c$,"highlight",function(a){this.atomHighlighted=null!=a&&1==a.cardinality()?a.nextSetBit(0):-1;null==a?this.setCursor(0):(this.shm.loadShape(8),this.setCursor(12));this.setModelkitProperty("highlight",a);this.setShapeProperty(8,"highlight",a)},"JU.BS");c(c$,"refreshMeasures",function(a){this.setShapeProperty(6,"refresh",null);a&&this.stopMinimization()},"~B");c(c$,"functionXY",function(a,b,c){var g=null;if(0==a.indexOf("file:"))g= +this.getFileAsString3(a.substring(5),!1,null);else if(0!=a.indexOf("data2d_"))return this.sm.functionXY(a,b,c);b=Math.abs(b);c=Math.abs(c);if(null==g){a=this.getDataObj(a,null,2);if(null!=a)return a;g=""}a=H(b,c,0);var f=H(b*c,0);JU.Parser.parseStringInfestedFloatArray(g,null,f);for(var e=g=0;ga||0==this.ms.ac)return null;a=this.getModelNumberDotted(a)}return this.getModelExtract(a,!0,!1,"V2000")},"~S");c(c$,"getNMRPredict",function(a){a= +a.toUpperCase();if(a.equals("H")||a.equals("1H")||a.equals(""))a="H1";else if(a.equals("C")||a.equals("13C"))a="C13";if(!a.equals("NONE")){if(!a.equals("C13")&&!a.equals("H1"))return"Type must be H1 or C13";var b=this.getModelExtract("selected",!0,!1,"V2000"),c=b.indexOf("\n");if(0>c)return null;b="Jmol "+JV.Viewer.version_date+b.substring(c);if(this.isApplet)return this.showUrl(this.g.nmrUrlFormat+b),"opening "+this.g.nmrUrlFormat}this.syncScript("true","*",0);this.syncScript(a+"Simulate:",".",0); +return"sending request to JSpecView"},"~S");c(c$,"getHelp",function(a){0>this.g.helpPath.indexOf("?")?(0c)return 0;this.clearModelDependentObjects();var g=this.ms.at[c];if(null==g)return 0;var f=g.mi;return!b?(this.sm.modifySend(c,g.mi,4,"deleting atom "+g.getAtomName()), +this.ms.deleteAtoms(a),g=this.slm.deleteAtoms(a),this.setTainted(!0),this.sm.modifySend(c,f,-4,"OK"),g):this.deleteModels(f,a)},"JU.BS,~B");c(c$,"deleteModels",function(a,b){this.clearModelDependentObjects();this.sm.modifySend(-1,a,5,"deleting model "+this.getModelNumberDotted(a));var c=this.am.cmi;this.setCurrentModelIndexClear(0,!1);this.am.setAnimationOn(!1);var g=JU.BSUtil.copy(this.slm.bsDeleted),f=null==b?JU.BSUtil.newAndSetBit(a):this.ms.getModelBS(b,!1),f=this.ms.deleteModels(f);if(null== +f)return this.setCurrentModelIndexClear(c,!1),0;this.slm.processDeletedModelAtoms(f);null!=this.eval&&this.eval.deleteAtomsInVariables(f);this.setAnimationRange(0,0);this.clearRepaintManager(-1);this.am.clear();this.am.initializePointers(1);this.setCurrentModelIndexClear(1this.currentShapeID)return"";this.shm.releaseShape(this.currentShapeID);this.clearRepaintManager(this.currentShapeID);return JV.JC.getShapeClassName(this.currentShapeID, +!1)+" "+this.currentShapeState});c(c$,"handleError",function(a,b){try{b&&this.zapMsg(""+a),this.undoClear(),0==JU.Logger.getLogLevel()&&JU.Logger.setLogLevel(4),this.setCursor(0),this.setBooleanProperty("refreshing",!0),this.fm.setPathForAllFiles(""),JU.Logger.error("vwr handling error condition: "+a+" "),this.notifyError("Error","doClear="+b+"; "+a,""+a)}catch(c){try{JU.Logger.error("Could not notify error "+a+": due to "+c)}catch(g){}}},"Error,~B");c(c$,"getFunctions",function(a){return a?JV.Viewer.staticFunctions: +this.localFunctions},"~B");c(c$,"removeFunction",function(a){a=a.toLowerCase();null!=this.getFunction(a)&&(JV.Viewer.staticFunctions.remove(a),this.localFunctions.remove(a))},"~S");c(c$,"getFunction",function(a){if(null==a)return null;a=(JV.Viewer.isStaticFunction(a)?JV.Viewer.staticFunctions:this.localFunctions).get(a);return null==a||null==a.geTokens()?null:a},"~S");c$.isStaticFunction=c(c$,"isStaticFunction",function(a){return a.startsWith("static_")},"~S");c(c$,"isFunction",function(a){return(JV.Viewer.isStaticFunction(a)? +JV.Viewer.staticFunctions:this.localFunctions).containsKey(a)},"~S");c(c$,"clearFunctions",function(){JV.Viewer.staticFunctions.clear();this.localFunctions.clear()});c(c$,"addFunction",function(a){var b=a.getName();(JV.Viewer.isStaticFunction(b)?JV.Viewer.staticFunctions:this.localFunctions).put(b,a)},"J.api.JmolScriptFunction");c(c$,"getFunctionCalls",function(a){return this.getStateCreator().getFunctionCalls(a)},"~S");c(c$,"checkPrivateKey",function(a){return a==this.privateKey},"~N");c(c$,"bindAction", +function(a,b){this.haveDisplay&&this.acm.bind(a,b)},"~S,~S");c(c$,"unBindAction",function(a,b){this.haveDisplay&&this.acm.unbindAction(a,b)},"~S,~S");c(c$,"calculateStruts",function(a,b){return this.ms.calculateStruts(null==a?this.bsA():a,null==b?this.bsA():b)},"JU.BS,JU.BS");c(c$,"getPreserveState",function(){return this.g.preserveState&&null!=this.scm});c(c$,"isKiosk",function(){return this.$isKiosk});c(c$,"hasFocus",function(){return this.haveDisplay&&(this.$isKiosk||this.apiPlatform.hasFocus(this.display))}); +c(c$,"setFocus",function(){this.haveDisplay&&!this.apiPlatform.hasFocus(this.display)&&this.apiPlatform.requestFocusInWindow(this.display)});c(c$,"stopMinimization",function(){null!=this.minimizer&&this.minimizer.setProperty("stop",null)});c(c$,"clearMinimization",function(){null!=this.minimizer&&this.minimizer.setProperty("clear",null)});c(c$,"getMinimizationInfo",function(){return null==this.minimizer?"":this.minimizer.getProperty("log",0)});c(c$,"checkMinimization",function(){this.refreshMeasures(!0); +if(this.g.monitorEnergy){try{this.minimize(null,0,0,this.getAllAtoms(),null,0,1)}catch(a){if(!G(a,Exception))throw a;}this.echoMessage(this.getP("_minimizationForceField")+" Energy = "+this.getP("_minimizationEnergy"))}});c(c$,"minimize",function(a,b,c,g,f,e,h){var j=1==(h&1),l=4==(h&4),n=0==(h&16),m=8==(h&8),p=this.g.forceField,q=this.getFrameAtoms();null==g?g=this.getModelUndeletedAtomsBitSet(this.getVisibleFramesBitSet().nextSetBit(0)):l||g.and(q);l&&(this.getAuxiliaryInfoForAtoms(g).put("dimension", +"3D"),q=g);0>=e&&(e=5);f=JU.BSUtil.copy(null==f?this.slm.getMotionFixedAtoms():f);var r=0this.g.minimizationMaxAtoms)this.scriptStatusMsg("Too many atoms for minimization ("+m+">"+this.g.minimizationMaxAtoms+"); use 'set minimizationMaxAtoms' to increase this limit","minimization: too many atoms");else try{j||JU.Logger.info("Minimizing "+g.cardinality()+" atoms"),this.getMinimizer(!0).minimize(b,c,g,f,h,l?"MMFF":p),l&&(this.g.forceField="MMFF",this.setHydrogens(g),this.showString("Minimized by Jmol", +!1))}catch(t){if(G(t,JV.JmolAsyncException))null!=a&&a.loadFileResourceAsync(t.getFileName());else if(G(t,Exception))a=t,JU.Logger.error("Minimization error: "+a.toString()),a.printStackTrace();else throw t;}}},"J.api.JmolScriptEvaluator,~N,~N,JU.BS,JU.BS,~N,~N");c(c$,"setHydrogens",function(a){for(var b=z(1,0),b=this.ms.calculateHydrogens(a,b,null,2052),c=a.nextSetBit(0);0<=c;c=a.nextSetBit(c+1)){var g=b[c];if(!(null==g||0==g.length))for(var f=this.ms.at[c],e=f.bonds,h=0,j=0,l=f.getBondCount();h< +l;h++){var n=e[h].getOtherAtom(f);if(1==n.getAtomicAndIsotopeNumber()){var m=g[j++];this.ms.setAtomCoord(n.i,m.x,m.y,m.z)}}}this.ms.resetMolecules()},"JU.BS");c(c$,"setMotionFixedAtoms",function(a){this.slm.setMotionFixedAtoms(a)},"JU.BS");c(c$,"getMotionFixedAtoms",function(){return this.slm.getMotionFixedAtoms()});c(c$,"getAtomicPropertyState",function(a,b,c,g,f){this.getStateCreator().getAtomicPropertyStateBuffer(a,b,c,g,f)},"JU.SB,~N,JU.BS,~S,~A");c(c$,"getCenterAndPoints",function(a,b){return this.ms.getCenterAndPoints(a, +b)},"JU.Lst,~B");c(c$,"writeFileData",function(a,b,c,g){return this.getOutputManager().writeFileData(a,b,c,g)},"~S,~S,~N,~A");c(c$,"getPdbData",function(a,b,c,g,f,e){return this.getPropertyManager().getPdbData(a,b,null==c?this.bsA():c,g,f,e)},"~N,~S,JU.BS,~A,JU.OC,~B");c(c$,"getGroupsWithin",function(a,b){return this.ms.getGroupsWithin(a,b)},"~N,JU.BS");c(c$,"setShapeSize",function(a,b,c){null==c&&(c=this.bsA());this.shm.setShapeSizeBs(a,b,null,c)},"~N,~N,JU.BS");c(c$,"setShapeProperty",function(a, +b,c){0<=a&&this.shm.setShapePropertyBs(a,b,c,null)},"~N,~S,~O");c(c$,"getShapeProperty",function(a,b){return this.shm.getShapePropertyIndex(a,b,-2147483648)},"~N,~S");c(c$,"getShapePropertyAsInt",function(a,b){var c=this.getShapeProperty(a,b);return null==c||!q(c,Integer)?-2147483648:c.intValue()},"~N,~S");c(c$,"setModelVisibility",function(){null!=this.shm&&this.shm.setModelVisibility()});c(c$,"resetShapes",function(a){this.shm.resetShapes();a&&(this.shm.loadDefaultShapes(this.ms),this.clearRepaintManager(-1))}, +"~B");c(c$,"setParallel",function(a){return this.$isParallel=this.g.multiProcessor&&a},"~B");c(c$,"isParallel",function(){return this.g.multiProcessor&&this.$isParallel});c(c$,"undoClear",function(){this.actionStates.clear();this.actionStatesRedo.clear()});c(c$,"undoMoveAction",function(a,b){this.getStateCreator().undoMoveAction(a,b)},"~N,~N");c(c$,"undoMoveActionClear",function(a,b,c){this.g.preserveState&&this.getStateCreator().undoMoveActionClear(a,b,c)},"~N,~N,~B");c(c$,"moveAtomWithHydrogens", +function(a,b,c,g,f){this.stopMinimization();if(null==f){var e=this.ms.at[a];f=JU.BSUtil.newAndSetBit(a);a=e.bonds;if(null!=a)for(var h=0;hb||0>c?a=this.bsA():(1048576== +(g&1048576)&&(b>c&&(a=b,b=c,c=a),b=h[b].group.firstAtomIndex,c=h[c].group.lastAtomIndex),a=new JU.BS,a.setBits(b,c+1)));g|=this.isModel2D(a)?134217728:0;b=this.getSmilesMatcher();return JV.JC.isSmilesCanonical(f)?(g=b.getSmiles(h,this.ms.ac,a,"/noAromatic/",g),this.getChemicalInfo(g,"smiles",null).trim()):b.getSmiles(h,this.ms.ac,a,e,g)},"JU.BS,~N,~N,~N,~S");c(c$,"isModel2D",function(a){a=this.getModelForAtomIndex(a.nextSetBit(0));return null!=a&&"2D".equals(a.auxiliaryInfo.get("dimension"))},"JU.BS"); +c(c$,"alert",function(a){this.prompt(a,null,null,!0)},"~S");c(c$,"prompt",function(a,b,c,g){return this.$isKiosk?"null":this.apiPlatform.prompt(a,b,c,g)},"~S,~S,~A,~B");c(c$,"dialogAsk",function(a,b){return prompt(a,b)},"~S,~S,java.util.Map");c(c$,"initializeExporter",function(a){var b=a.get("type").equals("JS");if(b){if(null!=this.jsExporter3D)return this.jsExporter3D.initializeOutput(this,this.privateKey,a),this.jsExporter3D}else{var c=a.get("fileName"),g=a.get("fullPath"),c=this.getOutputChannel(c, +g);if(null==c)return null;a.put("outputChannel",c)}c=J.api.Interface.getOption("export.Export3D",this,"export");if(null==c)return 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+!1);self.Jmol&&Jmol.extend&&Jmol.extend("vwr",JV.Viewer.prototype);F(c$,"isJS",!1,"isJSNoAWT",!1,"isSwingJS",!1,"isWebGL",!1,"appletDocumentBase","","appletCodeBase","","appletIdiomaBase",null,"jsDocumentBase","","jmolObject",null);c$.strJavaVendor=c$.prototype.strJavaVendor="Java: "+System.getProperty("java.vendor","j2s");c$.strOSName=c$.prototype.strOSName=System.getProperty("os.name","");c$.strJavaVersion=c$.prototype.strJavaVersion="Java "+System.getProperty("java.version","");F(c$,"version_date", +null,"REFRESH_REPAINT",1,"REFRESH_SYNC",2,"REFRESH_SYNC_MASK",3,"REFRESH_REPAINT_NO_MOTION_ONLY",6,"REFRESH_SEND_WEBGL_NEW_ORIENTATION",7,"SYNC_GRAPHICS_MESSAGE","GET_GRAPHICS","SYNC_NO_GRAPHICS_MESSAGE","SET_GRAPHICS_OFF");c$.staticFunctions=c$.prototype.staticFunctions=new java.util.Hashtable;F(c$,"MIN_SILENT",1,"MIN_HAVE_FIXED",2,"MIN_QUICK",4,"MIN_ADDH",8,"MIN_NO_RANGE",16,"nProcessors",1)})}fa._coreLoaded=!0})(Clazz,Clazz.getClassName,Clazz.newLongArray,Clazz.doubleToByte,Clazz.doubleToInt,Clazz.doubleToLong, +Clazz.declarePackage,Clazz.instanceOf,Clazz.load,Clazz.instantialize,Clazz.decorateAsClass,Clazz.floatToInt,Clazz.floatToLong,Clazz.makeConstructor,Clazz.defineEnumConstant,Clazz.exceptionOf,Clazz.newIntArray,Clazz.defineStatics,Clazz.newFloatArray,Clazz.declareType,Clazz.prepareFields,Clazz.superConstructor,Clazz.newByteArray,Clazz.declareInterface,Clazz.p0p,Clazz.pu$h,Clazz.newShortArray,Clazz.innerTypeInstance,Clazz.isClassDefined,Clazz.prepareCallback,Clazz.newArray,Clazz.castNullAs,Clazz.floatToShort, +Clazz.superCall,Clazz.decorateAsType,Clazz.newBooleanArray,Clazz.newCharArray,Clazz.implementOf,Clazz.newDoubleArray,Clazz.overrideConstructor,Clazz.clone,Clazz.doubleToShort,Clazz.getInheritedLevel,Clazz.getParamsType,Clazz.isAF,Clazz.isAB,Clazz.isAI,Clazz.isAS,Clazz.isASS,Clazz.isAP,Clazz.isAFloat,Clazz.isAII,Clazz.isAFF,Clazz.isAFFF,Clazz.tryToSearchAndExecute,Clazz.getStackTrace,Clazz.inheritArgs,Clazz.alert,Clazz.defineMethod,Clazz.overrideMethod,Clazz.declareAnonymous,Clazz.cloneFinals); diff --git a/qmpy/web/static/js/jsmol/j2s/core/corejmoljsv.js b/qmpy/web/static/js/jsmol/j2s/core/corejmoljsv.js index 3e44ee34..56057649 100644 --- a/qmpy/web/static/js/jsmol/j2s/core/corejmoljsv.js +++ b/qmpy/web/static/js/jsmol/j2s/core/corejmoljsv.js @@ -64,9 +64,9 @@ ){ var $t$; //var c$; -Jmol.___JmolDate="$Date: 2020-05-27 14:50:46 -0500 (Wed, 27 May 2020) $" -Jmol.___fullJmolProperties="src/org/jmol/viewer/Jmol.properties" -Jmol.___JmolVersion="14.31.2" +Jmol.___JmolDate="$Date: 2021-12-23 12:47:05 -0600 (Thu, 23 Dec 2021) $" +Jmol.___fullJmolProperties="src/org/jmol/viewer/Jmol.properties" +Jmol.___JmolVersion="14.32.6" // JSmolJavaExt.js @@ -1490,14 +1490,19 @@ sp.codePointAt || (sp.codePointAt = sp.charCodeAt); // Firefox only })(String.prototype); +var textDecoder = new TextDecoder(); + String.instantialize=function(){ switch (arguments.length) { case 0: return new String(); case 1: var x=arguments[0]; - if (x.BYTES_PER_ELEMENT || x instanceof Array){ - return (x.length == 0 ? "" : typeof x[0]=="number" ? Encoding.readUTF8Array(x) : x.join('')); + if (x.BYTES_PER_ELEMENT) { + return (x.length == 0 ? "" : typeof x[0]=="number" ? textDecoder.decode(x) : x.join('')); + } + if (x instanceof Array){ + return (x.length == 0 ? "" : typeof x[0]=="number" ? textDecoder.decode(new Uint8Array(x)) : x.join('')); } if(typeof x=="string"||x instanceof String){ return new String(x); @@ -1551,11 +1556,12 @@ case 4: if(typeof y=="string"||y instanceof String){ var offset=arguments[1]; var length=arguments[2]; - var arr=new Array(length); + var arr=new Uint8Array(length); for(var i=0;i= 0 ? "+" : "") + n; +n = JU.PT.parseInt (s.substring (i1 + (s.indexOf ("E+") == i1 ? 2 : 1))) + n; +var f = JU.PT.parseFloat (s.substring (0, i1)); +sf = JU.DF.formatDecimal (f, decimalDigits - 1); +if (sf.startsWith ("10.")) { +sf = JU.DF.formatDecimal (1, decimalDigits - 1); +n++; +}}return (isNeg ? "-" : "") + sf + "E" + (n >= 0 ? "+" : "") + n; }if (decimalDigits >= JU.DF.formattingStrings.length) decimalDigits = JU.DF.formattingStrings.length - 1; var s1 = ("" + value).toUpperCase (); var pt = s1.indexOf ("."); if (pt < 0) return s1 + JU.DF.formattingStrings[decimalDigits].substring (1); -var isNeg = s1.startsWith ("-"); -if (isNeg) { -s1 = s1.substring (1); -pt--; -}var pt1 = s1.indexOf ("E-"); +var pt1 = s1.indexOf ("E-"); if (pt1 > 0) { n = JU.PT.parseInt (s1.substring (pt1 + 1)); s1 = "0." + "0000000000000000000000000000000000000000".substring (0, -n - 1) + s1.substring (0, 1) + s1.substring (2, pt1); @@ -11757,7 +11761,7 @@ pt = s1.indexOf ("."); }var len = s1.length; var pt2 = decimalDigits + pt + 1; if (pt2 < len && s1.charAt (pt2) >= '5') { -return JU.DF.formatDecimal (value + (isNeg ? -1 : 1) * JU.DF.formatAdds[decimalDigits], decimalDigits); +return JU.DF.formatDecimal ((isNeg ? -1 : 1) * (value + JU.DF.formatAdds[decimalDigits]), decimalDigits); }var s0 = s1.substring (0, (decimalDigits == 0 ? pt : ++pt)); var sb = JU.SB.newS (s0); if (isNeg && s0.equals ("0.") && decimalDigits + 2 <= len && s1.substring (2, 2 + decimalDigits).equals ("0000000000000000000000000000000000000000".substring (0, decimalDigits))) isNeg = false; @@ -11775,6 +11779,15 @@ var m = str.length - 1; var zero = '0'; while (m >= 0 && str.charAt (m) == zero) m--; +return str.substring (0, m + 1); +}, "~N,~N"); +c$.formatDecimalTrimmed0 = Clazz_defineMethod (c$, "formatDecimalTrimmed0", +function (x, precision) { +var str = JU.DF.formatDecimalDbl (x, precision); +var m = str.length - 1; +var pt = str.indexOf (".") + 1; +while (m > pt && str.charAt (m) == '0') m--; + return str.substring (0, m + 1); }, "~N,~N"); Clazz_defineStatics (c$, @@ -12779,6 +12792,12 @@ this.m31 -= m1.m31; this.m32 -= m1.m32; this.m33 -= m1.m33; }, "JU.M4"); +Clazz_defineMethod (c$, "add", +function (pt) { +this.m03 += pt.x; +this.m13 += pt.y; +this.m23 += pt.z; +}, "JU.T3"); Clazz_defineMethod (c$, "transpose", function () { this.transpose33 (); @@ -12951,28 +12970,37 @@ this.bytes = null; this.bigEndian = true; Clazz_instantialize (this, arguments); }, JU, "OC", java.io.OutputStream, javajs.api.GenericOutputChannel); -Clazz_overrideMethod (c$, "isBigEndian", +Clazz_makeConstructor (c$, function () { -return this.bigEndian; +Clazz_superConstructor (this, JU.OC, []); }); -Clazz_defineMethod (c$, "setBigEndian", -function (TF) { -this.bigEndian = TF; -}, "~B"); +Clazz_makeConstructor (c$, +function (fileName) { +Clazz_superConstructor (this, JU.OC, []); +this.setParams (null, fileName, false, null); +}, "~S"); Clazz_defineMethod (c$, "setParams", function (bytePoster, fileName, asWriter, os) { this.bytePoster = bytePoster; -this.fileName = fileName; this.$isBase64 = ";base64,".equals (fileName); if (this.$isBase64) { fileName = null; this.os0 = os; os = null; -}this.os = os; +}this.fileName = fileName; +this.os = os; this.isLocalFile = (fileName != null && !JU.OC.isRemote (fileName)); if (asWriter && !this.$isBase64 && os != null) this.bw = new java.io.BufferedWriter ( new java.io.OutputStreamWriter (os)); return this; }, "javajs.api.BytePoster,~S,~B,java.io.OutputStream"); +Clazz_overrideMethod (c$, "isBigEndian", +function () { +return this.bigEndian; +}); +Clazz_defineMethod (c$, "setBigEndian", +function (TF) { +this.bigEndian = TF; +}, "~B"); Clazz_defineMethod (c$, "setBytes", function (b) { this.bytes = b; @@ -13139,8 +13167,8 @@ return ret; }var jmol = null; var _function = null; { -jmol = self.J2S || Jmol; _function = (typeof this.fileName == "function" ? -this.fileName : null); +jmol = self.J2S || Jmol; _function = (typeof this.fileName == +"function" ? this.fileName : null); }if (jmol != null) { var data = (this.sb == null ? this.toByteArray () : this.sb.toString ()); if (_function == null) jmol.doAjax (this.fileName, null, data, this.sb == null); @@ -13185,13 +13213,11 @@ c$.isRemote = Clazz_defineMethod (c$, "isRemote", function (fileName) { if (fileName == null) return false; var itype = JU.OC.urlTypeIndex (fileName); -return (itype >= 0 && itype != 5); +return (itype >= 0 && itype < 4); }, "~S"); c$.isLocal = Clazz_defineMethod (c$, "isLocal", function (fileName) { -if (fileName == null) return false; -var itype = JU.OC.urlTypeIndex (fileName); -return (itype < 0 || itype == 5); +return (fileName != null && !JU.OC.isRemote (fileName)); }, "~S"); c$.urlTypeIndex = Clazz_defineMethod (c$, "urlTypeIndex", function (name) { @@ -13220,8 +13246,9 @@ function (x) { this.writeInt (x == 0 ? 0 : Float.floatToIntBits (x)); }, "~N"); Clazz_defineStatics (c$, -"urlPrefixes", Clazz_newArray (-1, ["http:", "https:", "sftp:", "ftp:", "cache://", "file:"]), -"URL_LOCAL", 5); +"urlPrefixes", Clazz_newArray (-1, ["http:", "https:", "sftp:", "ftp:", "file:", "cache:"]), +"URL_LOCAL", 4, +"URL_CACHE", 5); }); Clazz_declarePackage ("JU"); Clazz_load (["JU.T3"], "JU.P3", null, function () { @@ -13246,6 +13273,10 @@ p.y = y; p.z = z; return p; }, "~N,~N,~N"); +c$.newA = Clazz_defineMethod (c$, "newA", +function (a) { +return JU.P3.new3 (a[0], a[1], a[2]); +}, "~A"); Clazz_defineStatics (c$, "unlikely", null); }); @@ -15413,7 +15444,8 @@ return parser.set (null, br, false).getAllCifData (); c$.fixUTF = Clazz_defineMethod (c$, "fixUTF", function (bytes) { var encoding = JU.Rdr.getUTFEncoding (bytes); -if (encoding !== JU.Encoding.NONE) try { +if (encoding !== JU.Encoding.NONE) { +try { var s = String.instantialize (bytes, encoding.name ().$replace ('_', '-')); switch (encoding) { case JU.Encoding.UTF8: @@ -15432,7 +15464,7 @@ System.out.println (e); throw e; } } -return String.instantialize (bytes); +}return String.instantialize (bytes); }, "~A"); c$.getUTFEncoding = Clazz_defineMethod (c$, "getUTFEncoding", function (bytes) { @@ -15525,13 +15557,15 @@ return (bytes.length >= 4 && bytes[0] == 0x50 && bytes[1] == 0x4B && bytes[2] == }, "~A"); c$.getMagic = Clazz_defineMethod (c$, "getMagic", function (is, n) { -var abMagic = Clazz_newByteArray (n, 0); +var abMagic = (n > 264 ? Clazz_newByteArray (n, 0) : JU.Rdr.b264 == null ? (JU.Rdr.b264 = Clazz_newByteArray (264, 0)) : JU.Rdr.b264); { is.resetStream(); }try { is.mark (n + 1); -is.read (abMagic, 0, n); -} catch (e) { +var i = is.read (abMagic, 0, n); +if (i < n) { +abMagic[0] = abMagic[257] = 0; +}} catch (e) { if (Clazz_exceptionOf (e, java.io.IOException)) { } else { throw e; @@ -15725,6 +15759,21 @@ function (fileName) { var pt = fileName.indexOf ("|"); return (pt < 0 ? fileName : fileName.substring (0, pt)); }, "~S"); +c$.isTar = Clazz_defineMethod (c$, "isTar", +function (bis) { +var bytes = JU.Rdr.getMagic (bis, 264); +return (bytes[0] != 0 && (bytes[257] & 0xFF) == 0x75 && (bytes[258] & 0xFF) == 0x73 && (bytes[259] & 0xFF) == 0x74 && (bytes[260] & 0xFF) == 0x61 && (bytes[261] & 0xFF) == 0x72); +}, "java.io.BufferedInputStream"); +c$.streamToBytes = Clazz_defineMethod (c$, "streamToBytes", +function (is) { +var bytes = JU.Rdr.getLimitedStreamBytes (is, -1); +is.close (); +return bytes; +}, "java.io.InputStream"); +c$.streamToString = Clazz_defineMethod (c$, "streamToString", +function (is) { +return String.instantialize (JU.Rdr.streamToBytes (is)); +}, "java.io.InputStream"); Clazz_pu$h(self.c$); c$ = Clazz_decorateAsClass (function () { this.stream = null; @@ -15748,6 +15797,8 @@ throw e; return this.stream; }); c$ = Clazz_p0p (); +Clazz_defineStatics (c$, +"b264", null); }); Clazz_declarePackage ("JU"); Clazz_load (null, "JU.T3d", ["java.lang.Double"], function () { @@ -15872,7 +15923,7 @@ return Math.sqrt (this.lengthSquared ()); }); }); Clazz_declarePackage ("J.adapter.readers.molxyz"); -Clazz_load (["J.adapter.smarter.AtomSetCollectionReader"], "J.adapter.readers.molxyz.MolReader", ["java.lang.Exception", "java.util.Hashtable", "JU.Lst", "$.PT", "J.adapter.smarter.Atom", "J.api.JmolAdapter", "JU.Logger"], function () { +Clazz_load (["J.adapter.smarter.AtomSetCollectionReader"], "J.adapter.readers.molxyz.MolReader", ["java.lang.Exception", "java.util.Hashtable", "JU.BS", "$.Lst", "$.PT", "J.adapter.smarter.Atom", "J.api.JmolAdapter", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { this.optimize2D = false; this.haveAtomSerials = false; @@ -15917,8 +15968,18 @@ this.finalizeReaderMR (); }); Clazz_defineMethod (c$, "finalizeReaderMR", function () { -if (this.optimize2D) this.set2D (); -this.isTrajectory = false; +if (this.is2D && !this.optimize2D) this.appendLoadNote ("This model is 2D. Its 3D structure has not been generated; use LOAD \"\" FILTER \"2D\" to optimize 3D."); +if (this.optimize2D) { +this.set2D (); +if (this.asc.bsAtoms == null) { +this.asc.bsAtoms = new JU.BS (); +this.asc.bsAtoms.setBits (0, this.asc.ac); +}for (var i = this.asc.bondCount; --i >= 0; ) { +var b = this.asc.bonds[i]; +if (this.asc.atoms[b.atomIndex2].elementSymbol.equals ("H") && b.order != 1025 && b.order != 1041) { +this.asc.bsAtoms.clear (b.atomIndex2); +}} +}this.isTrajectory = false; this.finalizeReaderASCR (); }); Clazz_defineMethod (c$, "processMolSdHeader", @@ -15930,10 +15991,9 @@ header += this.line + "\n"; this.rd (); if (this.line == null) return; header += this.line + "\n"; -this.set2D (this.line.length >= 22 && this.line.substring (20, 22).equals ("2D")); +this.is2D = (this.line.length >= 22 && this.line.substring (20, 22).equals ("2D")); if (this.is2D) { if (!this.allow2D) throw new Exception ("File is 2D, not 3D"); -this.appendLoadNote ("This model is 2D. Its 3D structure has not been generated."); }this.rd (); if (this.line == null) return; this.line = this.line.trim (); @@ -15972,7 +16032,7 @@ var iAtom = -2147483648; x = this.parseFloatRange (this.line, 0, 10); y = this.parseFloatRange (this.line, 10, 20); z = this.parseFloatRange (this.line, 20, 30); -if (this.is2D && z != 0) this.set2D (false); +if (this.is2D && z != 0) this.is2D = this.optimize2D = false; if (len < 34) { elementSymbol = this.line.substring (31).trim (); } else { @@ -16002,7 +16062,7 @@ var stereo = 0; iAtom1 = this.line.substring (0, 3).trim (); iAtom2 = this.line.substring (3, 6).trim (); var order = this.parseIntRange (this.line, 6, 9); -if (this.optimize2D && order == 1 && this.line.length >= 12) stereo = this.parseIntRange (this.line, 9, 12); +if (this.is2D && order == 1 && this.line.length >= 12) stereo = this.parseIntRange (this.line, 9, 12); order = this.fixOrder (order, stereo); if (this.haveAtomSerials) this.asc.addNewBondFromNames (iAtom1, iAtom2, order); else this.asc.addNewBondWithOrder (this.iatom0 + this.parseIntStr (iAtom1) - 1, this.iatom0 + this.parseIntStr (iAtom2) - 1, order); @@ -16026,11 +16086,6 @@ molData.put (atomValueName == null ? "atom_values" : atomValueName.toString (), this.asc.setCurrentModelInfo ("molDataKeys", _keyList); this.asc.setCurrentModelInfo ("molData", molData); }}, "~N,~N"); -Clazz_defineMethod (c$, "set2D", - function (b) { -this.is2D = b; -this.asc.setInfo ("dimension", (b ? "2D" : "3D")); -}, "~B"); Clazz_defineMethod (c$, "readAtomValues", function () { this.atomData = new Array (this.atomCount); @@ -16286,6 +16341,7 @@ this.radius = NaN; this.isHetero = false; this.atomSerial = -2147483648; this.chainID = 0; +this.bondRadius = NaN; this.altLoc = '\0'; this.group3 = null; this.sequenceNumber = -2147483648; @@ -16293,6 +16349,7 @@ this.insertionCode = '\0'; this.anisoBorU = null; this.tensors = null; this.ignoreSymmetry = false; +this.typeSymbol = null; Clazz_instantialize (this, arguments); }, J.adapter.smarter, "Atom", JU.P3, Cloneable); Clazz_defineMethod (c$, "addTensor", @@ -16310,7 +16367,16 @@ this.set (NaN, NaN, NaN); }); Clazz_defineMethod (c$, "getClone", function () { -var a = this.clone (); +var a; +try { +a = this.clone (); +} catch (e) { +if (Clazz_exceptionOf (e, CloneNotSupportedException)) { +return null; +} else { +throw e; +} +} if (this.vib != null) { if (Clazz_instanceOf (this.vib, JU.Vibration)) { a.vib = (this.vib).clone (); @@ -16361,6 +16427,12 @@ c$.isValidSymChar1 = Clazz_defineMethod (c$, "isValidSymChar1", function (ch) { return (ch >= 'A' && ch <= 'Z' && J.adapter.smarter.Atom.elementCharMasks[ch.charCodeAt (0) - 65] != 0); }, "~S"); +Clazz_defineMethod (c$, "copyTo", +function (pt, asc) { +var a = asc.newCloneAtom (this); +a.setT (pt); +return a; +}, "JU.P3,J.adapter.smarter.AtomSetCollection"); Clazz_defineStatics (c$, "elementCharMasks", Clazz_newIntArray (-1, [1972292, -2147351151, -2146019271, -2130706430, 1441792, -2147348464, 25, -2147205008, -2147344384, 0, -2147352576, 1179905, 548936, -2147434213, -2147221504, -2145759221, 0, 1056947, -2147339946, -2147477097, -2147483648, -2147483648, -2147483648, 8388624, -2147483646, 139264])); }); @@ -16429,6 +16501,10 @@ Clazz_overrideMethod (c$, "getRadius", function () { return this.atom.radius; }); +Clazz_overrideMethod (c$, "getBondRadius", +function () { +return this.atom.bondRadius; +}); Clazz_overrideMethod (c$, "getVib", function () { return (this.atom.vib == null || Float.isNaN (this.atom.vib.z) ? null : this.atom.vib); @@ -16509,6 +16585,7 @@ this.trajectoryNames = null; this.doFixPeriodic = false; this.allowMultiple = false; this.readerList = null; +this.atomMapAnyCase = false; this.bsStructuredModels = null; this.haveAnisou = false; this.baseSymmetryAtomCount = 0; @@ -16558,6 +16635,8 @@ var p = new java.util.Properties (); p.put ("PATH_KEY", ".PATH"); p.put ("PATH_SEPARATOR", J.adapter.smarter.SmarterJmolAdapter.PATH_SEPARATOR); this.setInfo ("properties", p); +var modelIndex = (reader == null ? null : reader.htParams.get ("appendToModelIndex")); +if (modelIndex != null) this.setInfo ("appendToModelIndex", modelIndex); if (array != null) { var n = 0; this.readerList = new JU.Lst (); @@ -16585,7 +16664,7 @@ function () { if (!this.isTrajectory) this.trajectorySteps = new JU.Lst (); this.isTrajectory = true; var n = (this.bsAtoms == null ? this.ac : this.bsAtoms.cardinality ()); -if (n == 0) return; +if (n <= 1) return; var trajectoryStep = new Array (n); var haveVibrations = (n > 0 && this.atoms[0].vib != null && !Float.isNaN (this.atoms[0].vib.z)); var vibrationStep = (haveVibrations ? new Array (n) : null); @@ -16626,16 +16705,8 @@ if (atomInfo != null) atomInfo[0] += existingAtomsCount; this.setCurrentModelInfo ("title", collection.collectionName); this.setAtomSetName (collection.getAtomSetName (atomSetNum)); for (var atomNum = 0; atomNum < collection.atomSetAtomCounts[atomSetNum]; atomNum++) { -try { if (this.bsAtoms != null) this.bsAtoms.set (this.ac); this.newCloneAtom (collection.atoms[clonedAtoms]); -} catch (e) { -if (Clazz_exceptionOf (e, Exception)) { -this.errorMessage = "appendAtomCollection error: " + e; -} else { -throw e; -} -} clonedAtoms++; } this.atomSetNumbers[this.iSet] = (collectionIndex < 0 ? this.iSet + 1 : ((collectionIndex + 1) * 1000000) + collection.atomSetNumbers[atomSetNum]); @@ -16791,6 +16862,7 @@ for (var i = this.ac; --i >= 0; ) this.atoms[i] = null; this.ac = 0; this.atomSymbolicMap.clear (); +this.atomMapAnyCase = false; this.atomSetCount = 0; this.iSet = -1; for (var i = this.atomSetAuxiliaryInfo.length; --i >= 0; ) { @@ -16895,14 +16967,31 @@ Clazz_defineMethod (c$, "getAtomFromName", function (atomName) { return this.atomSymbolicMap.get (atomName); }, "~S"); +Clazz_defineMethod (c$, "setAtomMapAnyCase", +function () { +this.atomMapAnyCase = true; +var newMap = new java.util.Hashtable (); +newMap.putAll (this.atomSymbolicMap); +for (var e, $e = this.atomSymbolicMap.entrySet ().iterator (); $e.hasNext () && ((e = $e.next ()) || true);) { +var name = e.getKey (); +var uc = name.toUpperCase (); +if (!uc.equals (name)) newMap.put (uc, e.getValue ()); +} +this.atomSymbolicMap = newMap; +}); Clazz_defineMethod (c$, "getAtomIndex", function (name) { var a = this.atomSymbolicMap.get (name); +if (a == null && this.atomMapAnyCase) a = this.atomSymbolicMap.get (name.toUpperCase ()); return (a == null ? -1 : a.index); }, "~S"); Clazz_defineMethod (c$, "addNewBondWithOrder", function (atomIndex1, atomIndex2, order) { -if (atomIndex1 >= 0 && atomIndex1 < this.ac && atomIndex2 >= 0 && atomIndex2 < this.ac && atomIndex1 != atomIndex2) this.addBond ( new J.adapter.smarter.Bond (atomIndex1, atomIndex2, order)); +var b = null; +if (atomIndex1 >= 0 && atomIndex1 < this.ac && atomIndex2 >= 0 && atomIndex2 < this.ac && atomIndex1 != atomIndex2) { +b = new J.adapter.smarter.Bond (atomIndex1, atomIndex2, order); +this.addBond (b); +}return b; }, "~N,~N,~N"); Clazz_defineMethod (c$, "addNewBondFromNames", function (atomName1, atomName2, order) { @@ -17062,6 +17151,7 @@ ii++; } this.setInfo ("trajectorySteps", this.trajectorySteps); if (this.vibrationSteps != null) this.setInfo ("vibrationSteps", this.vibrationSteps); +if (this.ac == 0) this.ac = trajectory.length; }); Clazz_defineMethod (c$, "newAtomSet", function () { @@ -17085,8 +17175,10 @@ this.atomSetNumbers = JU.AU.doubleLengthI (this.atomSetNumbers); this.atomSetNumbers[this.iSet + this.trajectoryStepCount] = this.atomSetCount + this.trajectoryStepCount; } else { this.atomSetNumbers[this.iSet] = this.atomSetCount; -}if (doClearMap) this.atomSymbolicMap.clear (); -this.setCurrentModelInfo ("title", this.collectionName); +}if (doClearMap) { +this.atomSymbolicMap.clear (); +this.atomMapAnyCase = false; +}this.setCurrentModelInfo ("title", this.collectionName); }, "~B"); Clazz_defineMethod (c$, "getAtomSetAtomIndex", function (i) { @@ -17391,15 +17483,20 @@ this.fileOffsetFractional = null; this.unitCellOffset = null; this.unitCellOffsetFractional = false; this.moreUnitCellInfo = null; +this.paramsLattice = null; +this.paramsCentroid = false; +this.paramsPacked = false; this.filePath = null; this.fileName = null; -this.stateScriptVersionInt = 2147483647; this.baseAtomIndex = 0; +this.baseBondIndex = 0; +this.stateScriptVersionInt = 2147483647; this.isFinalized = false; this.haveModel = false; this.previousSpaceGroup = null; this.previousUnitCell = null; this.nMatrixElements = 0; +this.ucItems = null; this.matUnitCellOrientation = null; this.bsFilter = null; this.filter = null; @@ -17430,6 +17527,7 @@ this.nameRequired = null; this.doCentroidUnitCell = false; this.centroidPacked = false; this.strSupercell = null; +this.allow_a_len_1 = false; this.filter1 = null; this.filter2 = null; this.matRot = null; @@ -17487,8 +17585,10 @@ Clazz_defineMethod (c$, "fixBaseIndices", try { var baseModelIndex = (this.htParams.get ("baseModelIndex")).intValue (); this.baseAtomIndex += this.asc.ac; +this.baseBondIndex += this.asc.bondCount; baseModelIndex += this.asc.atomSetCount; this.htParams.put ("baseAtomIndex", Integer.$valueOf (this.baseAtomIndex)); +this.htParams.put ("baseBondIndex", Integer.$valueOf (this.baseBondIndex)); this.htParams.put ("baseModelIndex", Integer.$valueOf (baseModelIndex)); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { @@ -17549,8 +17649,10 @@ Clazz_defineMethod (c$, "finalizeReaderASCR", function () { this.isFinalized = true; if (this.asc.atomSetCount > 0) { -if (this.asc.atomSetCount == 1) this.asc.setCurrentModelInfo ("dbName", this.htParams.get ("dbName")); -this.applySymmetryAndSetTrajectory (); +if (this.asc.atomSetCount == 1) { +this.asc.setCurrentModelInfo ("dbName", this.htParams.get ("dbName")); +this.asc.setCurrentModelInfo ("auxFiles", this.htParams.get ("auxFiles")); +}this.applySymmetryAndSetTrajectory (); this.asc.finalizeStructures (); if (this.doCentralize) this.asc.centralize (); if (this.fillRange != null) this.asc.setInfo ("boundbox", this.fillRange); @@ -17628,19 +17730,15 @@ return this.asc; }); Clazz_defineMethod (c$, "setError", function (e) { -var s; -{ -if (e.getMessage) -s = e.getMessage(); -else -s = e.toString(); -}if (this.line == null) this.asc.errorMessage = "Error reading file at end of file \n" + s; +var s = e.getMessage (); +if (this.line == null) this.asc.errorMessage = "Error reading file at end of file \n" + s; else this.asc.errorMessage = "Error reading file at line " + this.ptLine + ":\n" + this.line + "\n" + s; e.printStackTrace (); }, "Throwable"); Clazz_defineMethod (c$, "initialize", function () { if (this.htParams.containsKey ("baseAtomIndex")) this.baseAtomIndex = (this.htParams.get ("baseAtomIndex")).intValue (); +if (this.htParams.containsKey ("baseBondIndex")) this.baseBondIndex = (this.htParams.get ("baseBondIndex")).intValue (); this.initializeSymmetry (); this.vwr = this.htParams.remove ("vwr"); if (this.htParams.containsKey ("stateScriptVersionInt")) this.stateScriptVersionInt = (this.htParams.get ("stateScriptVersionInt")).intValue (); @@ -17692,6 +17790,9 @@ for (var i = this.firstLastStep[0]; i <= this.firstLastStep[1]; i += this.firstL }}if (this.bsModels != null && (this.firstLastStep == null || this.firstLastStep[1] != -1)) this.lastModelNumber = this.bsModels.length (); this.symmetryRange = (this.htParams.containsKey ("symmetryRange") ? (this.htParams.get ("symmetryRange")).floatValue () : 0); +this.paramsLattice = this.htParams.get ("lattice"); +this.paramsCentroid = this.htParams.containsKey ("centroid"); +this.paramsPacked = this.htParams.containsKey ("packed"); this.initializeSymmetryOptions (); if (this.htParams.containsKey ("spaceGroupIndex")) { this.desiredSpaceGroupIndex = (this.htParams.get ("spaceGroupIndex")).intValue (); @@ -17723,7 +17824,7 @@ Clazz_defineMethod (c$, "initializeSymmetryOptions", function () { this.latticeCells = Clazz_newIntArray (4, 0); this.doApplySymmetry = false; -var pt = this.htParams.get ("lattice"); +var pt = this.paramsLattice; if (pt == null || pt.length () == 0) { if (!this.forcePacked && this.strSupercell == null) return; pt = JU.P3.new3 (1, 1, 1); @@ -17731,9 +17832,9 @@ pt = JU.P3.new3 (1, 1, 1); this.latticeCells[1] = Clazz_floatToInt (pt.y); this.latticeCells[2] = Clazz_floatToInt (pt.z); if (Clazz_instanceOf (pt, JU.T4)) this.latticeCells[3] = Clazz_floatToInt ((pt).w); -this.doCentroidUnitCell = (this.htParams.containsKey ("centroid")); +this.doCentroidUnitCell = this.paramsCentroid; if (this.doCentroidUnitCell && (this.latticeCells[2] == -1 || this.latticeCells[2] == 0)) this.latticeCells[2] = 1; -var isPacked = this.forcePacked || this.htParams.containsKey ("packed"); +var isPacked = this.forcePacked || this.paramsPacked; this.centroidPacked = this.doCentroidUnitCell && isPacked; this.doPackUnitCell = !this.doCentroidUnitCell && (isPacked || this.latticeCells[2] < 0); this.doApplySymmetry = (this.latticeCells[0] > 0 && this.latticeCells[1] > 0); @@ -17791,7 +17892,7 @@ Clazz_defineMethod (c$, "setSpaceGroupName", function (name) { if (this.ignoreFileSpaceGroupName || name == null) return; var s = name.trim (); -if (s.equals (this.sgName)) return; +if (s.length == 0 || s.equals ("HM:") || s.equals (this.sgName)) return; if (!s.equals ("P1")) JU.Logger.info ("Setting space group name to " + s); this.sgName = s; }, "~S"); @@ -17821,7 +17922,11 @@ this.checkUnitCell (6); Clazz_defineMethod (c$, "setUnitCellItem", function (i, x) { if (this.ignoreFileUnitCell) return; -if (i == 0 && x == 1 && !this.checkFilterKey ("TOPOS") || i == 3 && x == 0) return; +if (i == 0 && x == 1 && !this.allow_a_len_1 || i == 3 && x == 0) { +if (this.ucItems == null) this.ucItems = Clazz_newFloatArray (6, 0); +this.ucItems[i] = x; +return; +}if (this.ucItems != null && i < 6) this.ucItems[i] = x; if (!Float.isNaN (x) && i >= 6 && Float.isNaN (this.unitCellParams[6])) this.initializeCartesianToFractional (); this.unitCellParams[i] = x; if (this.debugging) { @@ -17924,6 +18029,7 @@ this.isDSSP1 = this.checkFilterKey ("DSSP1"); this.doReadMolecularOrbitals = !this.checkFilterKey ("NOMO"); this.useAltNames = this.checkFilterKey ("ALTNAME"); this.reverseModels = this.checkFilterKey ("REVERSEMODELS"); +this.allow_a_len_1 = this.checkFilterKey ("TOPOS"); if (this.filter == null) return; if (this.checkFilterKey ("HETATM")) { this.filterHetero = true; @@ -17939,13 +18045,13 @@ if (this.nameRequired.startsWith ("'")) this.nameRequired = JU.PT.split (this.na this.filter = JU.PT.rep (this.filter, this.nameRequired, ""); filter0 = this.filter = JU.PT.rep (this.filter, "NAME=", ""); }this.filterAtomName = this.checkFilterKey ("*.") || this.checkFilterKey ("!."); -this.filterElement = this.checkFilterKey ("_"); +if (this.filter.startsWith ("_") || this.filter.indexOf (";_") >= 0) this.filterElement = this.checkFilterKey ("_"); this.filterGroup3 = this.checkFilterKey ("["); this.filterChain = this.checkFilterKey (":"); this.filterAltLoc = this.checkFilterKey ("%"); this.filterEveryNth = this.checkFilterKey ("/="); if (this.filterEveryNth) this.filterN = this.parseIntAt (this.filter, this.filter.indexOf ("/=") + 2); - else this.filterAtomType = this.checkFilterKey ("="); + else if (this.filter.startsWith ("=") || this.filter.indexOf (";=") >= 0) this.filterAtomType = this.checkFilterKey ("="); if (this.filterN == -2147483648) this.filterEveryNth = false; this.haveAtomFilter = this.filterAtomName || this.filterAtomType || this.filterElement || this.filterGroup3 || this.filterChain || this.filterAltLoc || this.filterHetero || this.filterEveryNth || this.checkFilterKey ("/="); if (this.bsFilter == null) { @@ -17973,6 +18079,13 @@ Clazz_defineMethod (c$, "checkFilterKey", function (key) { return (this.filter != null && this.filter.indexOf (key) >= 0); }, "~S"); +Clazz_defineMethod (c$, "checkAndRemoveFilterKey", +function (key) { +if (!this.checkFilterKey (key)) return false; +this.filter = JU.PT.rep (this.filter, key, ""); +if (this.filter.length < 3) this.filter = null; +return true; +}, "~S"); Clazz_defineMethod (c$, "filterAtom", function (atom, iAtom) { if (!this.haveAtomFilter) return true; @@ -18002,6 +18115,7 @@ Clazz_defineMethod (c$, "set2D", function () { this.asc.setInfo ("is2D", Boolean.TRUE); if (!this.checkFilterKey ("NOMIN")) this.asc.setInfo ("doMinimize", Boolean.TRUE); +this.appendLoadNote ("This model is 2D. Its 3D structure will be generated."); }); Clazz_defineMethod (c$, "doGetVibration", function (vibrationNumber) { @@ -18289,7 +18403,7 @@ this.prevline = this.line; this.line = this.reader.readLine (); if (this.out != null && this.line != null) this.out.append (this.line).append ("\n"); this.ptLine++; -if (this.debugging && this.line != null) JU.Logger.debug (this.line); +if (this.debugging && this.line != null) JU.Logger.info (this.line); return this.line; }); c$.getStrings = Clazz_defineMethod (c$, "getStrings", @@ -18478,6 +18592,7 @@ this.order = 0; this.radius = -1; this.colix = -1; this.uniqueID = -1; +this.distance = 0; Clazz_instantialize (this, arguments); }, J.adapter.smarter, "Bond", J.adapter.smarter.AtomSetObject); Clazz_makeConstructor (c$, @@ -18487,6 +18602,14 @@ this.atomIndex1 = atomIndex1; this.atomIndex2 = atomIndex2; this.order = order; }, "~N,~N,~N"); +Clazz_makeConstructor (c$, +function () { +Clazz_superConstructor (this, J.adapter.smarter.Bond, []); +}); +Clazz_overrideMethod (c$, "toString", +function () { +return "[Bond " + this.atomIndex1 + " " + this.atomIndex2 + " " + this.order + "]"; +}); }); Clazz_declarePackage ("J.adapter.smarter"); Clazz_load (["J.api.JmolAdapterBondIterator"], "J.adapter.smarter.BondIterator", null, function () { @@ -18644,6 +18767,7 @@ var leader = llr.getHeader (64).trim (); if (leader.indexOf ("PNG") == 1 && leader.indexOf ("PNGJ") >= 0) return "pngj"; if (leader.indexOf ("PNG") == 1 || leader.indexOf ("JPG") == 1 || leader.indexOf ("JFIF") == 6) return "spt"; if (leader.indexOf ("\"num_pairs\"") >= 0) return "dssr"; +if (leader.indexOf ("output.31\n") >= 0) return "GenNBO|output.31"; if ((readerName = J.adapter.smarter.Resolver.checkFileStart (leader)) != null) { return (readerName.equals ("Xml") ? J.adapter.smarter.Resolver.getXmlType (llr.getHeader (0)) : readerName); }var lines = new Array (16); @@ -18690,6 +18814,8 @@ case 1: return "Xyz"; case 2: return "Bilbao"; +case 3: +return "PWmat"; } if (J.adapter.smarter.Resolver.checkAlchemy (lines[0])) return "Alchemy"; if (J.adapter.smarter.Resolver.checkFoldingXyz (lines)) return "FoldingXyz"; @@ -18755,7 +18881,7 @@ return (leader.indexOf ("$GENNBO") >= 0 || lines[1].startsWith (" Basis set info c$.checkMol = Clazz_defineMethod (c$, "checkMol", function (lines) { var line4trimmed = ("X" + lines[3]).trim ().toUpperCase (); -if (line4trimmed.length < 7 || line4trimmed.indexOf (".") >= 0) return 0; +if (line4trimmed.length < 7 || line4trimmed.indexOf (".") >= 0 || lines[0].startsWith ("data_")) return 0; if (line4trimmed.endsWith ("V2000")) return 2000; if (line4trimmed.endsWith ("V3000")) return 3000; var n1 = JU.PT.parseInt (lines[3].substring (0, 3).trim ()); @@ -18788,7 +18914,7 @@ return (lines[2].startsWith ("MODE OF CALC=") || lines[2].startsWith (" }, "~A"); c$.checkXyz = Clazz_defineMethod (c$, "checkXyz", function (lines) { -if (J.adapter.smarter.Resolver.isInt (lines[0].trim ())) return (J.adapter.smarter.Resolver.isInt (lines[2].trim ()) ? 2 : 1); +if (J.adapter.smarter.Resolver.isInt (lines[0].trim ())) return (J.adapter.smarter.Resolver.isInt (lines[2]) ? 2 : lines.length > 5 && lines[5].length > 8 && lines[5].substring (0, 8).equalsIgnoreCase ("position") ? 3 : 1); return (lines[0].indexOf ("Bilabao Crys") >= 0 ? 2 : 0); }, "~A"); c$.checkLineStarts = Clazz_defineMethod (c$, "checkLineStarts", @@ -18882,7 +19008,7 @@ return null; }, "~A"); Clazz_defineStatics (c$, "classBase", "J.adapter.readers."); -c$.readerSets = c$.prototype.readerSets = Clazz_newArray (-1, ["cif.", ";Cif;Cif2;MMCif;MMTF;MagCif", "molxyz.", ";Mol3D;Mol;Xyz;", "more.", ";AFLOW;BinaryDcd;Gromacs;Jcampdx;MdCrd;MdTop;Mol2;TlsDataOnly;", "quantum.", ";Adf;Csf;Dgrid;GamessUK;GamessUS;Gaussian;GaussianFchk;GaussianWfn;Jaguar;Molden;MopacGraphf;GenNBO;NWChem;Psi;Qchem;QCJSON;WebMO;MO;", "pdb.", ";Pdb;Pqr;P2n;JmolData;", "pymol.", ";PyMOL;", "simple.", ";Alchemy;Ampac;Cube;FoldingXyz;GhemicalMM;HyperChem;Jme;JSON;Mopac;MopacArchive;Tinker;Input;FAH;", "spartan.", ";Spartan;SpartanSmol;Odyssey;", "xtal.", ";Abinit;Aims;Bilbao;Castep;Cgd;Crystal;Dmol;Espresso;Gulp;Jana;Magres;Shelx;Siesta;VaspOutcar;VaspPoscar;Wien2k;Xcrysden;", "xml.", ";XmlArgus;XmlCml;XmlChem3d;XmlMolpro;XmlOdyssey;XmlXsd;XmlVasp;XmlQE;"]); +c$.readerSets = c$.prototype.readerSets = Clazz_newArray (-1, ["cif.", ";Cif;Cif2;MMCif;MMTF;MagCif", "molxyz.", ";Mol3D;Mol;Xyz;", "more.", ";AFLOW;BinaryDcd;Gromacs;Jcampdx;MdCrd;MdTop;Mol2;TlsDataOnly;", "quantum.", ";Adf;Csf;Dgrid;GamessUK;GamessUS;Gaussian;GaussianFchk;GaussianWfn;Jaguar;Molden;MopacGraphf;GenNBO;NWChem;Psi;Qchem;QCJSON;WebMO;MO;", "pdb.", ";Pdb;Pqr;P2n;JmolData;", "pymol.", ";PyMOL;", "simple.", ";Alchemy;Ampac;Cube;FoldingXyz;GhemicalMM;HyperChem;Jme;JSON;Mopac;MopacArchive;Tinker;Input;FAH;", "spartan.", ";Spartan;SpartanSmol;Odyssey;", "xtal.", ";Abinit;Aims;Bilbao;Castep;Cgd;Crystal;Dmol;Espresso;Gulp;Jana;Magres;Shelx;Siesta;VaspOutcar;VaspPoscar;Wien2k;Xcrysden;PWmat;", "xml.", ";XmlArgus;XmlCml;XmlChem3d;XmlMolpro;XmlOdyssey;XmlXsd;XmlVasp;XmlQE;"]); Clazz_defineStatics (c$, "CML_NAMESPACE_URI", "http://www.xml-cml.org/schema", "LEADER_CHAR_MAX", 64, @@ -18903,7 +19029,7 @@ Clazz_defineStatics (c$, "jmoldataStartRecords", Clazz_newArray (-1, ["JmolData", "REMARK 6 Jmol"]), "pqrStartRecords", Clazz_newArray (-1, ["Pqr", "REMARK 1 PQR", "REMARK The B-factors"]), "p2nStartRecords", Clazz_newArray (-1, ["P2n", "REMARK 1 P2N"]), -"cif2StartRecords", Clazz_newArray (-1, ["Cif2", "#\\#CIF_2"]), +"cif2StartRecords", Clazz_newArray (-1, ["Cif2", "#\\#CIF_2", "\u00EF\u00BB\u00BF#\\#CIF_2"]), "xmlStartRecords", Clazz_newArray (-1, ["Xml", "= 0 ? "JmolApplet/" : "Jmol/") + name + ".po"); -var data = new Array (1); -JU.Rdr.readAllAsString (br, 2147483647, false, data, 0); -poData = data[0]; -} catch (e) { -if (Clazz_exceptionOf (e, java.io.IOException)) { -return null; -} else { -throw e; -} -} -}return J.i18n.Resource.getResourceFromPO (poData); +{ +}}return J.i18n.Resource.getResourceFromPO (poData); }, "JV.Viewer,~S,~S"); Clazz_defineMethod (c$, "getString", function (string) { @@ -25073,7 +25185,7 @@ return JU.PT.rep (line.substring (line.indexOf ("\"") + 1, line.lastIndexOf ("\" }, "~S"); }); Clazz_declarePackage ("J.io"); -Clazz_load (null, "J.io.FileReader", ["java.io.BufferedInputStream", "$.BufferedReader", "$.Reader", "javajs.api.GenericBinaryDocument", "$.ZInputStream", "JU.AU", "$.PT", "$.Rdr", "J.api.Interface", "JU.Logger"], function () { +Clazz_load (null, "J.io.FileReader", ["java.io.BufferedInputStream", "$.BufferedReader", "$.Reader", "java.util.zip.ZipInputStream", "javajs.api.GenericBinaryDocument", "JU.AU", "$.PT", "$.Rdr", "J.api.Interface", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { this.vwr = null; this.fileNameIn = null; @@ -25119,7 +25231,7 @@ this.atomSetCollection = errorMessage; return; }if (Clazz_instanceOf (t, java.io.BufferedReader)) { this.readerOrDocument = t; -} else if (Clazz_instanceOf (t, javajs.api.ZInputStream)) { +} else if (Clazz_instanceOf (t, java.util.zip.ZipInputStream)) { var name = this.fullPathNameIn; var subFileList = null; name = name.$replace ('\\', '/'); @@ -25443,12 +25555,12 @@ frank.getFont (imageFontScaling); var dx = Clazz_floatToInt (frank.frankWidth + 4 * imageFontScaling); var dy = frank.frankDescent; this.g3d.drawStringNoSlab (frank.frankString, frank.font3d, this.vwr.gdata.width - dx, this.vwr.gdata.height - dy, 0, 0); -if (modelKitMode) { +var kit = (modelKitMode ? this.vwr.getModelkit (false) : null); +if (modelKitMode && !kit.isHidden ()) { this.g3d.setC (12); var w = 10; var h = 26; this.g3d.fillTextRect (0, 0, 1, 0, w, h * 4); -var kit = this.vwr.getModelkit (false); var active = kit.getActiveMenu (); if (active != null) { if ("atomMenu".equals (active)) { @@ -26171,6 +26283,8 @@ this.tryPt = 0; this.theToken = null; this.theTok = 0; this.pointers = null; +this.why = null; +this.privateFuncs = null; Clazz_instantialize (this, arguments); }, JS, "ScriptContext"); Clazz_makeConstructor (c$, @@ -27286,6 +27400,10 @@ function (x1, x2) { if (x1 == null || x2 == null) return false; if (x1.tok == x2.tok) { switch (x1.tok) { +case 2: +if (x2.tok == 2) { +return x1.intValue == x2.intValue; +}break; case 4: return (x1.value).equalsIgnoreCase (x2.value); case 10: @@ -27392,8 +27510,9 @@ return n; }, "JS.T"); c$.fflistValue = Clazz_defineMethod (c$, "fflistValue", function (x, nMin) { -if (x.tok != 7) return Clazz_newArray (-1, [ Clazz_newFloatArray (-1, [JS.SV.fValue (x)])]); -var sv = (x).getList (); +if (x.tok != 7) { +return Clazz_newArray (-1, [ Clazz_newFloatArray (-1, [JS.SV.fValue (x)])]); +}var sv = (x).getList (); var svlen = sv.size (); var list; list = JU.AU.newFloat2 (svlen); @@ -27404,7 +27523,7 @@ return list; }, "JS.T,~N"); c$.flistValue = Clazz_defineMethod (c$, "flistValue", function (x, nMin) { -if (x.tok != 7) return Clazz_newFloatArray (-1, [JS.SV.fValue (x)]); +if (x == null || x.tok != 7) return Clazz_newFloatArray (-1, [JS.SV.fValue (x)]); var sv = (x).getList (); var list; list = Clazz_newFloatArray (Math.max (nMin, sv.size ()), 0); @@ -27463,6 +27582,8 @@ c$.isScalar = Clazz_defineMethod (c$, "isScalar", function (x) { switch (x.tok) { case 7: +case 11: +case 12: return false; case 4: return ((x.value).indexOf ("\n") < 0); @@ -27627,6 +27748,8 @@ var d = JS.SV.fValue (b); return (c < d ? -1 : c > d ? 1 : 0); }if (a.tok == 4 || b.tok == 4) return JS.SV.sValue (a).compareTo (JS.SV.sValue (b)); }switch (a.tok) { +case 2: +return (a.intValue < b.intValue ? -1 : a.intValue > b.intValue ? 1 : 0); case 4: return JS.SV.sValue (a).compareTo (JS.SV.sValue (b)); case 7: @@ -27940,7 +28063,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "hbond", 1613238294, "history", 1610616855, "image", 4120, -"initialize", 266265, +"initialize", 4121, "invertSelected", 4122, "loop", 528411, "macro", 4124, @@ -27953,6 +28076,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "navigate", 4131, "parallel", 102436, "plot", 4133, +"privat", 4134, "process", 102439, "quit", 266281, "ramachandran", 4138, @@ -28203,10 +28327,10 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "getproperty", 1275072526, "helix", 136314895, "$in", 1275068432, +"inchi", 1275068433, "label", 1825200146, "measure", 1745489939, "modulation", 1275072532, -"now", 134217749, "pivot", 1275068437, "plane", 134217750, "point", 134217751, @@ -28249,6 +28373,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "smiles", 134218757, "contact", 134353926, "eval", 134218759, +"now", 134218760, "add", 1275069441, "cross", 1275069442, "distance", 1275069443, @@ -28331,14 +28456,15 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "bondtolerance", 570425348, "cameradepth", 570425350, "defaultdrawarrowscale", 570425352, -"defaulttranslucent", 570425354, -"dipolescale", 570425355, -"drawfontsize", 570425356, -"ellipsoidaxisdiameter", 570425357, -"exportscale", 570425358, -"gestureswipefactor", 570425359, -"hbondsangleminimum", 570425360, -"hbondsdistancemaximum", 570425361, +"defaulttranslucent", 570425353, +"dipolescale", 570425354, +"drawfontsize", 570425355, +"ellipsoidaxisdiameter", 570425356, +"exportscale", 570425357, +"gestureswipefactor", 570425358, +"hbondsangleminimum", 570425359, +"hbondnodistancemaximum", 570425360, +"hbondhxdistancemaximum", 570425361, "hoverdelay", 570425362, "loadatomdatatolerance", 570425363, "minbonddistance", 570425364, @@ -28446,12 +28572,13 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "cartoonsteps", 603979811, "bondmodeor", 603979812, "bondpicking", 603979814, -"cartoonbaseedges", 603979816, -"cartoonsfancy", 603979817, -"cartoonladders", 603979818, -"cartoonribose", 603979819, -"cartoonrockets", 603979820, -"celshading", 603979821, +"cartoonbaseedges", 603979815, +"cartoonsfancy", 603979816, +"cartoonladders", 603979817, +"cartoonribose", 603979818, +"cartoonrockets", 603979819, +"celshading", 603979820, +"checkcir", 603979821, "chaincasesensitive", 603979822, "ciprule6full", 603979823, "colorrasmol", 603979824, @@ -28605,7 +28732,7 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "cancel", 1073741874, "cap", 1073741875, "cavity", 1073741876, -"check", 1073741878, +"check", 1073741877, "chemical", 1073741879, "circle", 1073741880, "clash", 1073741881, @@ -28664,7 +28791,6 @@ JS.T.astrType = "nada identifier integer decimal string inscode hash array point "homo", 1073741973, "id", 1073741974, "ignore", 1073741976, -"inchi", 1073741977, "inchikey", 1073741978, "increment", 1073741981, "info", 1073741982, @@ -28888,8 +29014,8 @@ JS.T.tokenMap.put (lcase, tokenThis); tokenLast = tokenThis; } arrayPairs = null; -var sTokens = Clazz_newArray (-1, ["+=", "-=", "*=", "/=", "\\=", "&=", "|=", "not", "!", "xor", "tog", "<", "<=", ">=", ">", "!=", "<>", "LIKE", "within", ".", "..", "[", "]", "{", "}", "$", "%", ";", "++", "--", "**", "\\", "animation", "anim", "assign", "axes", "backbone", "background", "bind", "bondorder", "boundbox", "boundingBox", "break", "calculate", "capture", "cartoon", "cartoons", "case", "catch", "cd", "center", "centre", "centerat", "cgo", "color", "colour", "compare", "configuration", "conformation", "config", "connect", "console", "contact", "contacts", "continue", "data", "default", "define", "@", "delay", "delete", "density", "depth", "dipole", "dipoles", "display", "dot", "dots", "draw", "echo", "ellipsoid", "ellipsoids", "else", "elseif", "end", "endif", "exit", "eval", "file", "files", "font", "for", "format", "frame", "frames", "frank", "function", "functions", "geosurface", "getProperty", "goto", "halo", "halos", "helix", "helixalpha", "helix310", "helixpi", "hbond", "hbonds", "help", "hide", "history", "hover", "if", "in", "initialize", "invertSelected", "isosurface", "javascript", "label", "labels", "lcaoCartoon", "lcaoCartoons", "load", "log", "loop", "measure", "measures", "monitor", "monitors", "meshribbon", "meshribbons", "message", "minimize", "minimization", "mo", "model", "models", "modulation", "move", "moveTo", "mutate", "navigate", "navigation", "nbo", "origin", "out", "parallel", "pause", "wait", "plot", "plot3d", "pmesh", "polygon", "polyhedra", "polyhedron", "print", "process", "prompt", "quaternion", "quaternions", "quit", "ramachandran", "rama", "refresh", "reset", "unset", "restore", "restrict", "return", "ribbon", "ribbons", "rocket", "rockets", "rotate", "rotateSelected", "save", "select", "selectionHalos", "selectionHalo", "showSelections", "sheet", "show", "slab", "spacefill", "cpk", "spin", "ssbond", "ssbonds", "star", "stars", "step", "steps", "stereo", "strand", "strands", "structure", "_structure", "strucNo", "struts", "strut", "subset", "subsystem", "synchronize", "sync", "trace", "translate", "translateSelected", "try", "unbind", "unitcell", "var", "vector", "vectors", "vibration", "while", "wireframe", "write", "zap", "zoom", "zoomTo", "atom", "atoms", "axisangle", "basepair", "basepairs", "orientation", "orientations", "pdbheader", "polymer", "polymers", "residue", "residues", "rotation", "row", "sequence", "seqcode", "shape", "state", "symbol", "symmetry", "spaceGroup", "transform", "translation", "url", "_", "abs", "absolute", "acos", "add", "adpmax", "adpmin", "align", "altloc", "altlocs", "ambientOcclusion", "amino", "angle", "array", "as", "atomID", "_atomID", "_a", "atomIndex", "atomName", "atomno", "atomType", "atomX", "atomY", "atomZ", "average", "babel", "babel21", "back", "backlit", "backshell", "balls", "baseModel", "best", "beta", "bin", "bondCount", "bonded", "bottom", "branch", "brillouin", "bzone", "wignerSeitz", "cache", "carbohydrate", "cell", "chain", "chains", "chainNo", "chemicalShift", "cs", "clash", "clear", "clickable", "clipboard", "connected", "context", "constraint", "contourLines", "coord", "coordinates", "coords", "cos", "cross", "covalentRadius", "covalent", "direction", "displacement", "displayed", "distance", "div", "DNA", "domains", "dotted", "DSSP", "DSSR", "element", "elemno", "_e", "error", "exportScale", "fill", "find", "fixedTemperature", "forcefield", "formalCharge", "charge", "eta", "front", "frontlit", "frontOnly", "fullylit", "fx", "fy", "fz", "fxyz", "fux", "fuy", "fuz", "fuxyz", "group", "groups", "group1", "groupID", "_groupID", "_g", "groupIndex", "hidden", "highlight", "hkl", "hydrophobicity", "hydrophobic", "hydro", "id", "identify", "ident", "image", "info", "infoFontSize", "inline", "insertion", "insertions", "intramolecular", "intra", "intermolecular", "inter", "bondingRadius", "ionicRadius", "ionic", "isAromatic", "Jmol", "JSON", "join", "keys", "last", "left", "length", "lines", "list", "magneticShielding", "ms", "mass", "max", "mep", "mesh", "middle", "min", "mlp", "mode", "modify", "modifyOrCreate", "modt", "modt1", "modt2", "modt3", "modx", "mody", "modz", "modo", "modxyz", "molecule", "molecules", "modelIndex", "monomer", "morph", "movie", "mouse", "mul", "mul3", "nboCharges", "nci", "next", "noDelay", "noDots", "noFill", "noMesh", "none", "null", "inherit", "normal", "noBackshell", "noContourLines", "notFrontOnly", "noTriangles", "now", "nucleic", "occupancy", "omega", "only", "opaque", "options", "partialCharge", "phi", "pivot", "plane", "planar", "play", "playRev", "point", "points", "pointGroup", "polymerLength", "pop", "previous", "prev", "probe", "property", "properties", "protein", "psi", "purine", "push", "PyMOL", "pyrimidine", "random", "range", "rasmol", "replace", "resno", "resume", "rewind", "reverse", "right", "rmsd", "RNA", "rna3d", "rock", "rubberband", "saSurface", "saved", "scale", "scene", "search", "smarts", "selected", "seqid", "shapely", "sidechain", "sin", "site", "size", "smiles", "substructure", "solid", "sort", "specialPosition", "sqrt", "split", "starWidth", "starScale", "stddev", "straightness", "structureId", "supercell", "sub", "sum", "sum2", "surface", "surfaceDistance", "symop", "sx", "sy", "sz", "sxyz", "temperature", "relativeTemperature", "tensor", "theta", "thisModel", "ticks", "top", "torsion", "trajectory", "trajectories", "translucent", "transparent", "triangles", "trim", "type", "ux", "uy", "uz", "uxyz", "user", "valence", "vanderWaals", "vdw", "vdwRadius", "visible", "volume", "vx", "vy", "vz", "vxyz", "xyz", "w", "x", "y", "z", "addHydrogens", "allConnected", "angstroms", "anisotropy", "append", "arc", "area", "aromatic", "arrow", "async", "audio", "auto", "axis", "barb", "binary", "blockData", "cancel", "cap", "cavity", "centroid", "check", "chemical", "circle", "collapsed", "col", "colorScheme", "command", "commands", "contour", "contours", "corners", "count", "criterion", "create", "crossed", "curve", "cutoff", "cylinder", "diameter", "discrete", "distanceFactor", "downsample", "drawing", "dynamicMeasurements", "eccentricity", "ed", "edges", "edgesOnly", "energy", "exitJmol", "faceCenterOffset", "filter", "first", "fixed", "fix", "flat", "fps", "from", "frontEdges", "full", "fullPlane", "functionXY", "functionXYZ", "gridPoints", "hiddenLinesDashed", "homo", "ignore", "InChI", "InChIKey", "increment", "insideout", "interior", "intersection", "intersect", "internal", "lattice", "line", "lineData", "link", "lobe", "lonePair", "lp", "lumo", "macro", "manifest", "mapProperty", "map", "maxSet", "menu", "minSet", "modelBased", "molecular", "mrc", "msms", "name", "nmr", "noCross", "noDebug", "noEdges", "noHead", "noLoad", "noPlane", "object", "obj", "offset", "offsetSide", "once", "orbital", "atomicOrbital", "packed", "palindrome", "parameters", "path", "pdb", "period", "periodic", "perpendicular", "perp", "phase", "planarParam", "pocket", "pointsPerAngstrom", "radical", "rad", "reference", "remove", "resolution", "reverseColor", "rotate45", "selection", "sigma", "sign", "silent", "sphere", "squared", "stdInChI", "stdInChIKey", "stop", "title", "titleFormat", "to", "validation", "value", "variable", "variables", "vertices", "width", "wigner", "backgroundModel", "celShading", "celShadingPower", "debug", "debugHigh", "defaultLattice", "measurements", "measurement", "scale3D", "toggleLabel", "userColorScheme", "throw", "timeout", "timeouts", "window", "animationMode", "appletProxy", "atomTypes", "axesColor", "axis1Color", "axis2Color", "axis3Color", "backgroundColor", "bondmode", "boundBoxColor", "boundingBoxColor", "chirality", "cipRule", "currentLocalPath", "dataSeparator", "defaultAngleLabel", "defaultColorScheme", "defaultColors", "defaultDirectory", "defaultDistanceLabel", "defaultDropScript", "defaultLabelPDB", "defaultLabelXYZ", "defaultLoadFilter", "defaultLoadScript", "defaults", "defaultTorsionLabel", "defaultVDW", "drawFontSize", "eds", "edsDiff", "energyUnits", "fileCacheDirectory", "fontsize", "helpPath", "hoverLabel", "language", "loadFormat", "loadLigandFormat", "logFile", "measurementUnits", "nihResolverFormat", "nmrPredictFormat", "nmrUrlFormat", "pathForAllFiles", "picking", "pickingStyle", "pickLabel", "platformSpeed", "propertyColorScheme", "quaternionFrame", "smilesUrlFormat", "smiles2dImageFormat", "unitCellColor", "axesOffset", "axisOffset", "axesScale", "axisScale", "bondTolerance", "cameraDepth", "defaultDrawArrowScale", "defaultTranslucent", "dipoleScale", "ellipsoidAxisDiameter", "gestureSwipeFactor", "hbondsAngleMinimum", "hbondsDistanceMaximum", "hoverDelay", "loadAtomDataTolerance", "minBondDistance", "minimizationCriterion", "minimizationMaxAtoms", "modulationScale", "mouseDragFactor", "mouseWheelFactor", "navFPS", "navigationDepth", "navigationSlab", "navigationSpeed", "navX", "navY", "navZ", "particleRadius", "pointGroupDistanceTolerance", "pointGroupLinearTolerance", "radius", "rotationRadius", "scaleAngstromsPerInch", "sheetSmoothing", "slabRange", "solventProbeRadius", "spinFPS", "spinX", "spinY", "spinZ", "stereoDegrees", "strutDefaultRadius", "strutLengthMaximum", "vectorScale", "vectorsCentered", "vectorSymmetry", "vectorTrail", "vibrationPeriod", "vibrationScale", "visualRange", "ambientPercent", "ambient", "animationFps", "axesMode", "bondRadiusMilliAngstroms", "bondingVersion", "delayMaximumMs", "diffusePercent", "diffuse", "dotDensity", "dotScale", "ellipsoidDotCount", "helixStep", "hermiteLevel", "historyLevel", "lighting", "logLevel", "meshScale", "minimizationSteps", "minPixelSelRadius", "percentVdwAtom", "perspectiveModel", "phongExponent", "pickingSpinRate", "propertyAtomNumberField", "propertyAtomNumberColumnCount", "propertyDataColumnCount", "propertyDataField", "repaintWaitMs", "ribbonAspectRatio", "contextDepthMax", "scriptReportingLevel", "showScript", "smallMoleculeMaxAtoms", "specular", "specularExponent", "specularPercent", "specPercent", "specularPower", "specpower", "strandCount", "strandCountForMeshRibbon", "strandCountForStrands", "strutSpacing", "zDepth", "zSlab", "zshadePower", "allowEmbeddedScripts", "allowGestures", "allowKeyStrokes", "allowModelKit", "allowMoveAtoms", "allowMultiTouch", "allowRotateSelected", "antialiasDisplay", "antialiasImages", "antialiasTranslucent", "appendNew", "applySymmetryToBonds", "atomPicking", "allowAudio", "autobond", "autoFPS", "autoplayMovie", "axesMolecular", "axesOrientationRasmol", "axesUnitCell", "axesWindow", "bondModeOr", "bondPicking", "bonds", "bond", "cartoonBaseEdges", "cartoonBlocks", "cartoonBlockHeight", "cartoonsFancy", "cartoonFancy", "cartoonLadders", "cartoonRibose", "cartoonRockets", "cartoonSteps", "chainCaseSensitive", "cipRule6Full", "colorRasmol", "debugScript", "defaultStructureDssp", "disablePopupMenu", "displayCellParameters", "showUnitcellInfo", "dotsSelectedOnly", "dotSurface", "dragSelected", "drawHover", "drawPicking", "dsspCalculateHydrogenAlways", "ellipsoidArcs", "ellipsoidArrows", "ellipsoidAxes", "ellipsoidBall", "ellipsoidDots", "ellipsoidFill", "fileCaching", "fontCaching", "fontScaling", "forceAutoBond", "fractionalRelative", "greyscaleRendering", "hbondsBackbone", "hbondsRasmol", "hbondsSolid", "hetero", "hideNameInPopup", "hideNavigationPoint", "hideNotSelected", "highResolution", "hydrogen", "hydrogens", "imageState", "isKiosk", "isosurfaceKey", "isosurfacePropertySmoothing", "isosurfacePropertySmoothingPower", "jmolInJSpecView", "justifyMeasurements", "languageTranslation", "leadAtom", "leadAtoms", "legacyAutoBonding", "legacyHAddition", "legacyJavaFloat", "logCommands", "logGestures", "macroDirectory", "measureAllModels", "measurementLabels", "measurementNumbers", "messageStyleChime", "minimizationRefresh", "minimizationSilent", "modelkitMode", "modelkit", "modulateOccupancy", "monitorEnergy", "multiplebondbananas", "multipleBondRadiusFactor", "multipleBondSpacing", "multiProcessor", "navigateSurface", "navigationMode", "navigationPeriodic", "partialDots", "pdbAddHydrogens", "pdbGetHeader", "pdbSequential", "perspectiveDepth", "preserveState", "rangeSelected", "redoMove", "refreshing", "ribbonBorder", "rocketBarrels", "saveProteinStructureState", "scriptQueue", "selectAllModels", "selectHetero", "selectHydrogen", "showAxes", "showBoundBox", "showBoundingBox", "showFrank", "showHiddenSelectionHalos", "showHydrogens", "showKeyStrokes", "showMeasurements", "showModulationVectors", "showMultipleBonds", "showNavigationPointAlways", "showTiming", "showUnitcell", "showUnitcellDetails", "slabByAtom", "slabByMolecule", "slabEnabled", "smartAromatic", "solvent", "solventProbe", "ssBondsBackbone", "statusReporting", "strutsMultiple", "syncMouse", "syncScript", "testFlag1", "testFlag2", "testFlag3", "testFlag4", "traceAlpha", "twistedSheets", "undo", "undoMove", "useMinimizationThread", "useNumberLocalization", "waitForMoveTo", "windowCentered", "wireframeRotation", "zeroBasedXyzRasmol", "zoomEnabled", "zoomHeight", "zoomLarge", "zShade"]); -var iTokens = Clazz_newIntArray (-1, [268435666, -1, -1, -1, -1, -1, -1, 268435568, -1, 268435537, 268435538, 268435859, 268435858, 268435857, 268435856, 268435861, -1, 268435862, 134217759, 1073742336, 1073742337, 268435520, 268435521, 1073742332, 1073742338, 1073742330, 268435634, 1073742339, 268435650, 268435649, 268435651, 268435635, 4097, -1, 4098, 1611272194, 1114249217, 1610616835, 4100, 4101, 1678381065, -1, 102407, 4102, 4103, 1112152066, -1, 102411, 102412, 20488, 12289, -1, 4105, 135174, 1765808134, -1, 134221831, 1094717448, -1, -1, 4106, 528395, 134353926, -1, 102408, 134221834, 102413, 12290, -1, 528397, 12291, 1073741914, 554176526, 135175, -1, 1610625028, 1275069444, 1112150019, 135176, 537022465, 1112150020, -1, 364547, 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"saveProteinStructureState", "scriptQueue", "selectAllModels", "selectHetero", "selectHydrogen", "showAxes", "showBoundBox", "showBoundingBox", "showFrank", "showHiddenSelectionHalos", "showHydrogens", "showKeyStrokes", "showMeasurements", "showModulationVectors", "showMultipleBonds", "showNavigationPointAlways", "showTiming", "showUnitcell", "showUnitcellDetails", "slabByAtom", "slabByMolecule", "slabEnabled", "smartAromatic", "solvent", "solventProbe", "ssBondsBackbone", "statusReporting", "strutsMultiple", "syncMouse", "syncScript", "testFlag1", "testFlag2", "testFlag3", "testFlag4", "traceAlpha", "twistedSheets", "undo", "undoMove", "useMinimizationThread", "useNumberLocalization", "waitForMoveTo", "windowCentered", "wireframeRotation", "zeroBasedXyzRasmol", "zoomEnabled", "zoomHeight", "zoomLarge", "zShade"]); +var iTokens = Clazz_newIntArray (-1, [268435666, -1, -1, -1, -1, -1, -1, 268435568, -1, 268435537, 268435538, 268435859, 268435858, 268435857, 268435856, 268435861, -1, 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603979934, 603979936, 603979937, 603979939, 603979940, 603979942, 603979944, 1612709912, 603979948, 603979952, 603979954, 603979955, 603979956, 603979958, 603979960, 603979962, 603979964, 603979965, 603979966, 603979968, 536870928, 4165, 603979970, 603979971, 603979975, 603979976, 603979977, 603979978, 603979980, 603979982, 603979983, 603979984]); if (sTokens.length != iTokens.length) { JU.Logger.error ("sTokens.length (" + sTokens.length + ") != iTokens.length! (" + iTokens.length + ")"); System.exit (1); @@ -29034,8 +29160,9 @@ return n; }, "~N,~N"); Clazz_defineMethod (c$, "setColixAndPalette", function (colix, paletteID, atomIndex) { -if (this.colixes == null) System.out.println ("ATOMSHAPE ERROR"); -this.colixes[atomIndex] = colix = this.getColixI (colix, paletteID, atomIndex); +if (this.colixes == null) { +this.checkColixLength (-1, this.ac); +}this.colixes[atomIndex] = colix = this.getColixI (colix, paletteID, atomIndex); this.bsColixSet.setBitTo (atomIndex, colix != 0 || this.shapeID == 0); this.paletteIDs[atomIndex] = paletteID; }, "~N,~N,~N"); @@ -29044,7 +29171,7 @@ function () { if (!this.isActive) return; for (var i = this.ac; --i >= 0; ) { var atom = this.atoms[i]; -if ((atom.shapeVisibilityFlags & this.vf) == 0 || this.ms.isAtomHidden (i)) continue; +if (atom == null || (atom.shapeVisibilityFlags & this.vf) == 0 || this.ms.isAtomHidden (i)) continue; atom.setClickable (this.vf); } }); @@ -29141,6 +29268,7 @@ function () { var bsDeleted = this.vwr.slm.bsDeleted; for (var i = this.ac; --i >= 0; ) { var atom = this.atoms[i]; +if (atom == null) continue; atom.setClickable (0); if (bsDeleted != null && bsDeleted.get (i) || (atom.shapeVisibilityFlags & this.vf) == 0 || this.ms.isAtomHidden (i)) continue; atom.setClickable (this.vf); @@ -30206,7 +30334,7 @@ return type; Clazz_defineMethod (c$, "getBondingRadius", function () { var rr = this.group.chain.model.ms.bondingRadii; -var r = (rr == null ? 0 : rr[this.i]); +var r = (rr == null || this.i >= rr.length ? 0 : rr[this.i]); return (r == 0 ? JU.Elements.getBondingRadius (this.atomicAndIsotopeNumber, this.getFormalCharge ()) : r); }); Clazz_defineMethod (c$, "getVolume", @@ -30249,7 +30377,7 @@ this.group.setAtomBits (bs); }, "JU.BS"); Clazz_overrideMethod (c$, "getAtomName", function () { -return (this.atomID > 0 ? JM.Group.specialAtomNames[this.atomID] : this.group.chain.model.ms.atomNames[this.i]); +return (this.atomID > 0 ? JM.Group.specialAtomNames[this.atomID] : this.group.chain.model.ms.atomNames == null ? "" : this.group.chain.model.ms.atomNames[this.i]); }); Clazz_overrideMethod (c$, "getAtomType", function () { @@ -30972,7 +31100,7 @@ Clazz_defineStatics (c$, "CIP_MASK", 4080); }); Clazz_declarePackage ("JM"); -Clazz_load (["JU.V3"], "JM.AtomCollection", ["java.lang.Float", "java.util.Arrays", "$.Hashtable", "JU.A4", "$.AU", "$.BS", "$.Lst", "$.M3", "$.Measure", "$.P3", "$.PT", "J.api.Interface", "$.JmolModulationSet", "J.atomdata.RadiusData", "J.c.PAL", "$.VDW", "JM.Group", "JS.T", "JU.BSUtil", "$.Elements", "$.Escape", "$.Logger", "$.Parser", "$.Vibration"], function () { +Clazz_load (["JU.V3"], "JM.AtomCollection", ["java.lang.Float", "java.util.Arrays", "$.Hashtable", "JU.A4", "$.AU", "$.BS", "$.Lst", "$.M3", "$.Measure", "$.P3", "$.PT", "J.api.Interface", "$.JmolModulationSet", "J.atomdata.RadiusData", "J.c.PAL", "$.VDW", "JM.Group", "JS.T", "JU.BSUtil", "$.Elements", "$.Logger", "$.Parser", "$.Vibration"], function () { c$ = Clazz_decorateAsClass (function () { this.vwr = null; this.g3d = null; @@ -31141,7 +31269,7 @@ Clazz_defineMethod (c$, "getFirstAtomIndexFromAtomNumber", function (atomNumber, bsVisibleFrames) { for (var i = 0; i < this.ac; i++) { var atom = this.at[i]; -if (atom.getAtomNumber () == atomNumber && bsVisibleFrames.get (atom.mi)) return i; +if (atom != null && atom.getAtomNumber () == atomNumber && bsVisibleFrames.get (atom.mi)) return i; } return -1; }, "~N,JU.BS"); @@ -31157,7 +31285,7 @@ this.taintAtom (i, 4); Clazz_defineMethod (c$, "getAtomicCharges", function () { var charges = Clazz_newFloatArray (this.ac, 0); -for (var i = this.ac; --i >= 0; ) charges[i] = this.at[i].getElementNumber (); +for (var i = this.ac; --i >= 0; ) charges[i] = (this.at[i] == null ? 0 : this.at[i].getElementNumber ()); return charges; }); @@ -31175,6 +31303,7 @@ function () { var r; for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; if ((r = atom.getBondingRadius ()) > this.maxBondingRadius) this.maxBondingRadius = r; if ((r = atom.getVanderwaalsRadiusFloat (this.vwr, J.c.VDW.AUTO)) > this.maxVanderwaalsRadius) this.maxVanderwaalsRadius = r; } @@ -31198,6 +31327,7 @@ for (var i = bs.nextSetBit (0); i >= 0; i = bs.nextSetBit (i + 1)) this.setBf (i }, "JU.BS"); Clazz_defineMethod (c$, "setBf", function (i) { +if (this.at[i] == null) return; var bf = this.at[i].getBfactor100 (); if (bf < this.bfactor100Lo) this.bfactor100Lo = bf; else if (bf > this.bfactor100Hi) this.bfactor100Hi = bf; @@ -31251,15 +31381,13 @@ this.nSurfaceAtoms = JU.BSUtil.cardinalityOf (this.bsSurface); if (this.nSurfaceAtoms == 0 || points == null || points.length == 0) return points; var radiusAdjust = (envelopeRadius == 3.4028235E38 ? 0 : envelopeRadius); for (var i = 0; i < this.ac; i++) { -if (this.bsSurface.get (i)) { +if (this.bsSurface.get (i) || this.at[i] == null) { this.surfaceDistance100s[i] = 0; } else { var dMin = 3.4028235E38; var atom = this.at[i]; for (var j = points.length; --j >= 0; ) { -var d = Math.abs (points[j].distance (atom) - radiusAdjust); -if (d < 0 && JU.Logger.debugging) JU.Logger.debug ("draw d" + j + " " + JU.Escape.eP (points[j]) + " \"" + d + " ? " + atom.getInfo () + "\""); -dMin = Math.min (d, dMin); +dMin = Math.min (Math.abs (points[j].distance (atom) - radiusAdjust), dMin); } var d = this.surfaceDistance100s[i] = Clazz_doubleToInt (Math.floor (dMin * 100)); this.surfaceDistanceMax = Math.max (this.surfaceDistanceMax, d); @@ -31361,6 +31489,7 @@ iValue = Clazz_floatToInt (fValue); if (n >= list.length) return; sValue = list[n++]; }var atom = this.at[i]; +var f; switch (tok) { case 1086326786: this.setAtomName (i, sValue, true); @@ -31419,8 +31548,8 @@ case 1113589786: this.setHydrophobicity (i, fValue); break; case 1128269825: -if (fValue < 2 && fValue > 0.01) fValue = 100 * fValue; -this.setOccupancy (i, fValue, true); +f = (fValue < 2 && fValue >= 0.01 ? 100 * fValue : fValue); +this.setOccupancy (i, f, true); break; case 1111492619: this.setPartialCharge (i, fValue, true); @@ -31440,9 +31569,10 @@ this.vwr.shm.setAtomLabel (sValue, i); break; case 1665140738: case 1112152075: -if (fValue < 0) fValue = 0; - else if (fValue > 16) fValue = 16.1; -atom.madAtom = (Clazz_floatToShort (fValue * 2000)); +f = fValue; +if (f < 0) f = 0; + else if (f > 16) f = 16.1; +atom.madAtom = (Clazz_floatToShort (f * 2000)); break; case 1113589787: this.vwr.slm.setSelectedAtom (atom.i, (fValue != 0)); @@ -31632,10 +31762,13 @@ this.partialCharges[atomIndex] = partialCharge; if (doTaint) this.taintAtom (atomIndex, 8); }, "~N,~N,~B"); Clazz_defineMethod (c$, "setBondingRadius", - function (atomIndex, radius) { +function (atomIndex, radius) { if (Float.isNaN (radius) || radius == this.at[atomIndex].getBondingRadius ()) return; -if (this.bondingRadii == null) this.bondingRadii = Clazz_newFloatArray (this.at.length, 0); -this.bondingRadii[atomIndex] = radius; +if (this.bondingRadii == null) { +this.bondingRadii = Clazz_newFloatArray (this.at.length, 0); +} else if (this.bondingRadii.length < this.at.length) { +this.bondingRadii = JU.AU.ensureLength (this.bondingRadii, this.at.length); +}this.bondingRadii[atomIndex] = radius; this.taintAtom (atomIndex, 6); }, "~N,~N"); Clazz_defineMethod (c$, "setBFactor", @@ -31849,9 +31982,9 @@ if (this.tainted[type].nextSetBit (0) < 0) this.tainted[type] = null; Clazz_defineMethod (c$, "findNearest2", function (x, y, closest, bsNot, min) { var champion = null; +var contender; for (var i = this.ac; --i >= 0; ) { -if (bsNot != null && bsNot.get (i)) continue; -var contender = this.at[i]; +if (bsNot != null && bsNot.get (i) || (contender = this.at[i]) == null) continue; if (contender.isClickable () && this.isCursorOnTopOf (contender, x, y, min, champion)) champion = contender; } closest[0] = champion; @@ -31870,7 +32003,7 @@ if (includeRadii) atomData.atomRadius = Clazz_newFloatArray (this.ac, 0); var isMultiModel = ((mode & 16) != 0); for (var i = 0; i < this.ac; i++) { var atom = this.at[i]; -if (atom.isDeleted () || !isMultiModel && atomData.modelIndex >= 0 && atom.mi != atomData.firstModelIndex) { +if (atom == null || atom.isDeleted () || !isMultiModel && atomData.modelIndex >= 0 && atom.mi != atomData.firstModelIndex) { if (atomData.bsIgnored == null) atomData.bsIgnored = new JU.BS (); atomData.bsIgnored.set (i); continue; @@ -31908,7 +32041,11 @@ if (rd.factorType === J.atomdata.RadiusData.EnumType.FACTOR) r *= rd.value; return r + rd.valueExtended; }, "JM.Atom,J.atomdata.AtomData"); Clazz_defineMethod (c$, "calculateHydrogens", -function (bs, nTotal, doAll, justCarbon, vConnect) { +function (bs, nTotal, vConnect, flags) { +var doAll = ((flags & 256) == 256); +var justCarbon = ((flags & 512) == 512); +var isQuick = ((flags & 4) == 4); +var ignoreH = ((flags & 2048) == 2048); var z = new JU.V3 (); var x = new JU.V3 (); var hAtoms = new Array (this.ac); @@ -31928,12 +32065,14 @@ dHX = 1.0; break; case 6: } -if (doAll && atom.getCovalentHydrogenCount () > 0) continue; -var n = this.getMissingHydrogenCount (atom, false); -if (n == 0) continue; +var n = (doAll || ignoreH ? atom.getCovalentHydrogenCount () : 0); +if (doAll && n > 0 || ignoreH && n == 0) continue; +var nMissing = this.getMissingHydrogenCount (atom, false); +if (doAll && nMissing == 0) continue; +if (!ignoreH) n = nMissing; var targetValence = this.aaRet[0]; var hybridization = this.aaRet[2]; -var nBonds = this.aaRet[3]; +var nBonds = this.aaRet[3] - (ignoreH ? n : 0); if (nBonds == 0 && atom.isHetero ()) continue; hAtoms[i] = new Array (n); var hPt = 0; @@ -31969,17 +32108,17 @@ switch (n) { default: break; case 3: -this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3b", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3b", false, true, isQuick); pt = new JU.P3 (); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); -this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3c", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3c", false, true, isQuick); pt = new JU.P3 (); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); -this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3d", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "sp3d", false, true, isQuick); pt = new JU.P3 (); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -31987,12 +32126,12 @@ if (vConnect != null) vConnect.addLast (atom); break; case 2: var isEne = (hybridization == 2 || atomicNumber == 5 || nBonds == 1 && targetValence == 4 || atomicNumber == 7 && this.isAdjacentSp2 (atom)); -this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2b" : targetValence == 3 ? "sp3c" : "lpa"), false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2b" : targetValence == 3 ? "sp3c" : "lpa"), false, true, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); -this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2c" : targetValence == 3 ? "sp3d" : "lpb"), false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, (isEne ? "sp2c" : targetValence == 3 ? "sp3d" : "lpb"), false, true, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -32004,7 +32143,7 @@ case 1: if (atomicNumber == 8 && atom === atom.group.getCarbonylOxygenAtom ()) { hAtoms[i] = null; continue; -}if (this.getHybridizationAndAxes (i, atomicNumber, z, x, (hybridization == 2 || atomicNumber == 5 || atomicNumber == 7 && (atom.group.getNitrogenAtom () === atom || this.isAdjacentSp2 (atom)) ? "sp2c" : "sp3d"), true, false) != null) { +}if (this.getHybridizationAndAxes (i, atomicNumber, z, x, (hybridization == 2 || atomicNumber == 5 || atomicNumber == 6 && this.aaRet[1] == 1 || atomicNumber == 7 && (atom.group.getNitrogenAtom () === atom || this.isAdjacentSp2 (atom)) ? "sp2c" : "sp3d"), true, false, isQuick) != null) { pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -32013,14 +32152,14 @@ if (vConnect != null) vConnect.addLast (atom); hAtoms[i] = new Array (0); }break; case 2: -this.getHybridizationAndAxes (i, atomicNumber, z, x, (targetValence == 4 ? "sp2c" : "sp2b"), false, false); +this.getHybridizationAndAxes (i, atomicNumber, z, x, (targetValence == 4 ? "sp2c" : "sp2b"), false, false, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; if (vConnect != null) vConnect.addLast (atom); break; case 3: -this.getHybridizationAndAxes (i, atomicNumber, z, x, "spb", false, true); +this.getHybridizationAndAxes (i, atomicNumber, z, x, "spb", false, true, isQuick); pt = JU.P3.newP (z); pt.scaleAdd2 (dHX, z, atom); hAtoms[i][hPt++] = pt; @@ -32032,7 +32171,7 @@ break; } nTotal[0] = nH; return hAtoms; -}, "JU.BS,~A,~B,~B,JU.Lst"); +}, "JU.BS,~A,JU.Lst,~N"); Clazz_defineMethod (c$, "isAdjacentSp2", function (atom) { var bonds = atom.bonds; @@ -32090,12 +32229,12 @@ n++; return n; }, "JU.BS"); Clazz_defineMethod (c$, "getHybridizationAndAxes", -function (atomIndex, atomicNumber, z, x, lcaoTypeRaw, hybridizationCompatible, doAlignZ) { +function (atomIndex, atomicNumber, z, x, lcaoTypeRaw, hybridizationCompatible, doAlignZ, isQuick) { var lcaoType = (lcaoTypeRaw.length > 0 && lcaoTypeRaw.charAt (0) == '-' ? lcaoTypeRaw.substring (1) : lcaoTypeRaw); if (lcaoTypeRaw.indexOf ("d") >= 0 && !lcaoTypeRaw.endsWith ("sp3d")) return this.getHybridizationAndAxesD (atomIndex, z, x, lcaoType); var atom = this.at[atomIndex]; if (atomicNumber == 0) atomicNumber = atom.getElementNumber (); -var attached = this.getAttached (atom, 4, hybridizationCompatible); +var attached = this.getAttached (atom, 4, hybridizationCompatible, isQuick); var nAttached = attached.length; var pt = lcaoType.charCodeAt (lcaoType.length - 1) - 97; if (pt < 0 || pt > 6) pt = 0; @@ -32103,7 +32242,11 @@ z.set (0, 0, 0); x.set (0, 0, 0); var v = new Array (4); for (var i = 0; i < nAttached; i++) { -v[i] = JU.V3.newVsub (atom, attached[i]); +var a = attached[i]; +if (a == null) { +nAttached = i; +break; +}v[i] = JU.V3.newVsub (atom, a); v[i].normalize (); z.add (v[i]); } @@ -32167,9 +32310,10 @@ break; }hybridization = lcaoType; break; default: -if (isPlanar) { +if (isPlanar && !isQuick) { hybridization = "sp2"; } else { +if (isPlanar) z.setT (vTemp); if (isLp && nAttached == 3) { hybridization = "lp"; break; @@ -32250,7 +32394,8 @@ if (vTemp.length () > 0.1 || a.getCovalentBondCount () != 2) break; atom = a0; a0 = a; } -if (vTemp.length () > 0.1) { +if (isSp) { +} else if (vTemp.length () > 0.1) { z.cross (vTemp, x); z.normalize (); if (pt == 1) z.scale (-1); @@ -32266,13 +32411,14 @@ z.setT (x); x.cross (JM.AtomCollection.vRef, x); }break; case 3: -this.getHybridizationAndAxes (attached[0].i, 0, x, vTemp, "pz", false, doAlignZ); +this.getHybridizationAndAxes (attached[0].i, 0, x, vTemp, "pz", false, doAlignZ, isQuick); vTemp.setT (x); if (isSp2) { x.cross (x, z); if (pt == 1) x.scale (-1); x.scale (JM.AtomCollection.sqrt3_2); z.scaleAdd2 (0.5, z, x); +} else if (isSp) { } else { vTemp.setT (z); z.setT (x); @@ -32287,7 +32433,7 @@ var a = attached[0]; var ok = (a.getCovalentBondCount () == 3); if (!ok) ok = ((a = attached[1]).getCovalentBondCount () == 3); if (ok) { -this.getHybridizationAndAxes (a.i, 0, x, z, "pz", false, doAlignZ); +this.getHybridizationAndAxes (a.i, 0, x, z, "pz", false, doAlignZ, isQuick); if (lcaoType.equals ("px")) x.scale (-1); z.setT (v[0]); break; @@ -32328,7 +32474,7 @@ x.scale (-1); x.normalize (); z.normalize (); return hybridization; -}, "~N,~N,JU.V3,JU.V3,~S,~B,~B"); +}, "~N,~N,JU.V3,JU.V3,~S,~B,~B,~B"); Clazz_defineMethod (c$, "getHybridizationAndAxesD", function (atomIndex, z, x, lcaoType) { if (lcaoType.startsWith ("sp3d2")) lcaoType = "d2sp3" + (lcaoType.length == 5 ? "a" : lcaoType.substring (5)); @@ -32338,7 +32484,7 @@ var isTrigonal = lcaoType.startsWith ("dsp3"); var pt = lcaoType.charCodeAt (lcaoType.length - 1) - 97; if (z != null && (!isTrigonal && (pt > 5 || !lcaoType.startsWith ("d2sp3")) || isTrigonal && pt > 4)) return null; var atom = this.at[atomIndex]; -var attached = this.getAttached (atom, 6, true); +var attached = this.getAttached (atom, 6, true, false); if (attached == null) return (z == null ? null : "?"); var nAttached = attached.length; if (nAttached < 3 && z != null) return null; @@ -32484,18 +32630,20 @@ z.normalize (); return (isTrigonal ? "dsp3" : "d2sp3"); }, "~N,JU.V3,JU.V3,~S"); Clazz_defineMethod (c$, "getAttached", - function (atom, nMax, doSort) { + function (atom, nMax, doSort, isQuick) { var nAttached = atom.getCovalentBondCount (); if (nAttached > nMax) return null; var attached = new Array (nAttached); if (nAttached > 0) { var bonds = atom.bonds; var n = 0; -for (var i = 0; i < bonds.length; i++) if (bonds[i].isCovalent ()) attached[n++] = bonds[i].getOtherAtom (atom); - -if (doSort) java.util.Arrays.sort (attached, Clazz_innerTypeInstance (JM.AtomCollection.AtomSorter, this, null)); +for (var i = 0; i < bonds.length; i++) if (bonds[i].isCovalent ()) { +var a = bonds[i].getOtherAtom (atom); +if (!isQuick || a.getAtomicAndIsotopeNumber () != 1) attached[n++] = a; +} +if (doSort && !isQuick) java.util.Arrays.sort (attached, Clazz_innerTypeInstance (JM.AtomCollection.AtomSorter, this, null)); }return attached; -}, "JM.Atom,~N,~B"); +}, "JM.Atom,~N,~B,~B"); Clazz_defineMethod (c$, "findNotAttached", function (nAttached, angles, ptrs, nPtrs) { var bs = JU.BS.newN (nAttached); @@ -32516,17 +32664,20 @@ case 1086326785: var isType = (tokType == 1086326785); var names = "," + specInfo + ","; for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var s = (isType ? this.at[i].getAtomType () : this.at[i].getAtomName ()); if (names.indexOf ("," + s + ",") >= 0) bs.set (i); } return bs; case 1094715393: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getAtomNumber () == iSpec) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getAtomNumber () == iSpec) bs.set (i); +} return bs; case 2097155: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getCovalentBondCount () > 0) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getCovalentBondCount () > 0) bs.set (i); +} return bs; case 2097188: case 2097156: @@ -32541,30 +32692,35 @@ return ((this).haveBioModels ? (this).bioModelset.getAtomBitsBS (tokType, null, case 1612709900: iSpec = 1; case 1094715402: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getElementNumber () == iSpec) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getElementNumber () == iSpec) bs.set (i); +} return bs; case 1612709894: -for (var i = this.ac; --i >= 0; ) if (this.at[i].isHetero ()) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].isHetero ()) bs.set (i); +} return bs; case 1073741824: return this.getIdentifierOrNull (specInfo); case 2097165: -for (var i = this.ac; --i >= 0; ) if (this.at[i].isLeadAtom ()) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].isLeadAtom ()) bs.set (i); +} return bs; case 1094713362: case 1639976963: return ((this).haveBioModels ? (this).bioModelset.getAtomBitsBS (tokType, specInfo, bs) : bs); case 1094715412: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getResno () == iSpec) bs.set (i); - +for (var i = this.ac; --i >= 0; ) { +if (this.at[i] != null && this.at[i].getResno () == iSpec) bs.set (i); +} return bs; case 1612709912: var hs = Clazz_newIntArray (2, 0); var a; for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var g = this.at[i].group.groupID; if (g >= 42 && g < 45) { bs.set (i); @@ -32582,7 +32738,7 @@ bs.set (i); return bs; case 1073742355: var spec = specInfo; -for (var i = this.ac; --i >= 0; ) if (this.isAltLoc (this.at[i].altloc, spec)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isAltLoc (this.at[i].altloc, spec)) bs.set (i); return bs; case 1073742356: @@ -32590,7 +32746,7 @@ var atomSpec = (specInfo).toUpperCase (); if (atomSpec.indexOf ("\\?") >= 0) atomSpec = JU.PT.rep (atomSpec, "\\?", "\1"); var allowStar = atomSpec.startsWith ("?*"); if (allowStar) atomSpec = atomSpec.substring (1); -for (var i = this.ac; --i >= 0; ) if (this.isAtomNameMatch (this.at[i], atomSpec, allowStar, allowStar)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isAtomNameMatch (this.at[i], atomSpec, allowStar, allowStar)) bs.set (i); return bs; case 1073742357: @@ -32598,17 +32754,17 @@ return JU.BSUtil.copy (this.getChainBits (iSpec)); case 1073742360: return this.getSpecName (specInfo); case 1073742361: -for (var i = this.ac; --i >= 0; ) if (this.at[i].group.groupID == iSpec) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].group.groupID == iSpec) bs.set (i); return bs; case 1073742362: return JU.BSUtil.copy (this.getSeqcodeBits (iSpec, true)); case 5: -for (var i = this.ac; --i >= 0; ) if (this.at[i].group.getInsCode () == iSpec) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].group.getInsCode () == iSpec) bs.set (i); return bs; case 1296041986: -for (var i = this.ac; --i >= 0; ) if (this.at[i].getSymOp () == iSpec) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].getSymOp () == iSpec) bs.set (i); return bs; } @@ -32635,7 +32791,7 @@ case 1086326789: bsTemp = new JU.BS (); for (var i = i0; i >= 0; i = bsInfo.nextSetBit (i + 1)) bsTemp.set (this.at[i].getElementNumber ()); -for (var i = this.ac; --i >= 0; ) if (bsTemp.get (this.at[i].getElementNumber ())) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && bsTemp.get (this.at[i].getElementNumber ())) bs.set (i); return bs; case 1086324742: @@ -32649,7 +32805,7 @@ case 1094713366: bsTemp = new JU.BS (); for (var i = i0; i >= 0; i = bsInfo.nextSetBit (i + 1)) bsTemp.set (this.at[i].atomSite); -for (var i = this.ac; --i >= 0; ) if (bsTemp.get (this.at[i].atomSite)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && bsTemp.get (this.at[i].atomSite)) bs.set (i); return bs; } @@ -32659,11 +32815,15 @@ return bs; Clazz_defineMethod (c$, "getChainBits", function (chainID) { var caseSensitive = this.vwr.getBoolean (603979822); -if (chainID >= 0 && chainID < 300 && !caseSensitive) chainID = this.chainToUpper (chainID); -var bs = new JU.BS (); +if (caseSensitive) { +if (chainID >= 97 && chainID <= 122) chainID += 159; +} else { +if (chainID >= 0 && chainID < 300) chainID = this.chainToUpper (chainID); +}var bs = new JU.BS (); var bsDone = JU.BS.newN (this.ac); var id; for (var i = bsDone.nextClearBit (0); i < this.ac; i = bsDone.nextClearBit (i + 1)) { +if (this.at[i] == null) continue; var chain = this.at[i].group.chain; if (chainID == (id = chain.chainID) || !caseSensitive && id >= 0 && id < 300 && chainID == this.chainToUpper (id)) { chain.setAtomBits (bs); @@ -32694,6 +32854,7 @@ var insCode = JM.Group.getInsertionCodeChar (seqcode); switch (insCode) { case '?': for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var atomSeqcode = this.at[i].group.seqcode; if ((!haveSeqNumber || seqNum == JM.Group.getSeqNumberFor (atomSeqcode)) && JM.Group.getInsertionCodeFor (atomSeqcode) != 0) { bs.set (i); @@ -32702,6 +32863,7 @@ isEmpty = false; break; default: for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var atomSeqcode = this.at[i].group.seqcode; if (seqcode == atomSeqcode || !haveSeqNumber && seqcode == JM.Group.getInsertionCodeFor (atomSeqcode) || insCode == '*' && seqNum == JM.Group.getSeqNumberFor (atomSeqcode)) { bs.set (i); @@ -32731,6 +32893,7 @@ if (name.indexOf ("\\?") >= 0) name = JU.PT.rep (name, "\\?", "\1"); var allowInitialStar = name.startsWith ("?*"); if (allowInitialStar) name = name.substring (1); for (var i = this.ac; --i >= 0; ) { +if (this.at[i] == null) continue; var g3 = this.at[i].getGroup3 (true); if (g3 != null && g3.length > 0) { if (JU.PT.isMatch (g3, name, checkStar, true)) { @@ -32762,6 +32925,7 @@ function (distance, plane) { var bsResult = new JU.BS (); for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; var d = JU.Measure.distanceToPlane (plane, atom); if (distance > 0 && d >= -0.1 && d <= distance || distance < 0 && d <= 0.1 && d >= distance || distance == 0 && Math.abs (d) < 0.01) bsResult.set (atom.i); } @@ -32776,7 +32940,7 @@ Clazz_defineMethod (c$, "getAtomsInFrame", function (bsAtoms) { this.clearVisibleSets (); bsAtoms.clearAll (); -for (var i = this.ac; --i >= 0; ) if (this.at[i].isVisible (1)) bsAtoms.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].isVisible (1)) bsAtoms.set (i); }, "JU.BS"); Clazz_defineMethod (c$, "getVisibleSet", @@ -32787,7 +32951,7 @@ this.vwr.shm.finalizeAtoms (null, true); } else if (this.haveBSVisible) { return this.bsVisible; }this.bsVisible.clearAll (); -for (var i = this.ac; --i >= 0; ) if (this.at[i].checkVisible ()) this.bsVisible.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].checkVisible ()) this.bsVisible.set (i); if (this.vwr.shm.bsSlabbedInternal != null) this.bsVisible.andNot (this.vwr.shm.bsSlabbedInternal); this.haveBSVisible = true; @@ -32798,7 +32962,7 @@ function (forceNew) { if (forceNew) this.vwr.setModelVisibility (); else if (this.haveBSClickable) return this.bsClickable; this.bsClickable.clearAll (); -for (var i = this.ac; --i >= 0; ) if (this.at[i].isClickable ()) this.bsClickable.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.at[i].isClickable ()) this.bsClickable.set (i); this.haveBSClickable = true; return this.bsClickable; @@ -33013,7 +33177,12 @@ Clazz_defineStatics (c$, "TAINT_SEQID", 14, "TAINT_RESNO", 15, "TAINT_CHAIN", 16, -"TAINT_MAX", 17); +"TAINT_MAX", 17, +"CALC_H_DOALL", 0x100, +"CALC_H_JUSTC", 0x200, +"CALC_H_HAVEH", 0x400, +"CALC_H_QUICK", 4, +"CALC_H_IGNORE_H", 0x800); }); Clazz_declarePackage ("JM"); Clazz_load (["J.api.AtomIndexIterator"], "JM.AtomIteratorWithinModel", ["J.atomdata.RadiusData"], function () { @@ -33182,6 +33351,7 @@ Clazz_instantialize (this, arguments); }, JM, "Bond", JU.Edge); Clazz_makeConstructor (c$, function (atom1, atom2, order, mad, colix) { +Clazz_superConstructor (this, JM.Bond, []); this.atom1 = atom1; this.atom2 = atom2; this.colix = colix; @@ -33284,13 +33454,13 @@ var i2 = 2147483647; var bonds = this.atom1.bonds; for (i1 = 0; i1 < bonds.length; i1++) { var a = bonds[i1].getOtherAtom (this.atom1); -if (bs1.get (a.i) && a !== this.atom2) break; +if (a !== this.atom2) break; } if (i1 < bonds.length) { bonds = this.atom2.bonds; for (i2 = 0; i2 < bonds.length; i2++) { var a = bonds[i2].getOtherAtom (this.atom2); -if (bs2.get (a.i) && a !== this.atom1) break; +if (a !== this.atom1) break; } }this.order = (i1 > 2 || i2 >= bonds.length || i2 > 2 ? 1 : JU.Edge.getAtropismOrder (i1 + 1, i2 + 1)); }, "JU.BS,JU.BS"); @@ -33305,10 +33475,14 @@ Clazz_overrideMethod (c$, "toString", function () { return this.atom1 + " - " + this.atom2; }); +Clazz_overrideMethod (c$, "getAtom", +function (i) { +return (i == 1 ? this.atom2 : this.atom1); +}, "~N"); c$.myVisibilityFlag = c$.prototype.myVisibilityFlag = JV.JC.getShapeVisibilityFlag (1); }); Clazz_declarePackage ("JM"); -Clazz_load (["JM.AtomCollection"], "JM.BondCollection", ["JU.AU", "$.BS", "JM.Bond", "$.BondIteratorSelected", "$.BondSet", "$.HBond", "JU.BSUtil", "$.C", "$.Edge", "$.Logger"], function () { +Clazz_load (["JM.AtomCollection"], "JM.BondCollection", ["JU.AU", "$.BS", "JM.Bond", "$.BondIteratorSelected", "$.BondSet", "$.HBond", "JU.BSUtil", "$.C", "$.Edge"], function () { c$ = Clazz_decorateAsClass (function () { this.bo = null; this.bondCount = 0; @@ -33321,6 +33495,7 @@ this.bsAromaticSingle = null; this.bsAromaticDouble = null; this.bsAromatic = null; this.haveHiddenBonds = false; +this.haveAtropicBonds = false; Clazz_instantialize (this, arguments); }, JM, "BondCollection", JM.AtomCollection); Clazz_defineMethod (c$, "setupBC", @@ -33485,7 +33660,7 @@ if (matchNull || newOrder == (bond.order & -257 | 131072) || (order & bond.order bsDelete.set (i); nDeleted++; }} -if (nDeleted > 0) this.dBm (bsDelete, false); +if (nDeleted > 0) (this).deleteBonds (bsDelete, false); return Clazz_newIntArray (-1, [0, nDeleted]); }, "~N,~N,~N,JU.BS,JU.BS,~B,~B"); Clazz_defineMethod (c$, "fixD", @@ -33501,10 +33676,6 @@ var dABcalc = atom1.getBondingRadius () + atom2.getBondingRadius (); return ((minFrac ? dAB >= dABcalc * minD : d2 >= minD) && (maxfrac ? dAB <= dABcalc * maxD : d2 <= maxD)); }return (d2 >= minD && d2 <= maxD); }, "JM.Atom,JM.Atom,~N,~N,~B,~B,~B"); -Clazz_defineMethod (c$, "dBm", -function (bsBonds, isFullModel) { -(this).deleteBonds (bsBonds, isFullModel); -}, "JU.BS,~B"); Clazz_defineMethod (c$, "dBb", function (bsBond, isFullModel) { var iDst = bsBond.nextSetBit (0); @@ -33744,50 +33915,6 @@ bs.set (this.bo[i].atom2.i); return bs; } }, "~N,~O"); -Clazz_defineMethod (c$, "assignBond", -function (bondIndex, type) { -var bondOrder = type.charCodeAt (0) - 48; -var bond = this.bo[bondIndex]; -(this).clearDB (bond.atom1.i); -switch (type) { -case '0': -case '1': -case '2': -case '3': -break; -case 'p': -case 'm': -bondOrder = JU.Edge.getBondOrderNumberFromOrder (bond.getCovalentOrder ()).charCodeAt (0) - 48 + (type == 'p' ? 1 : -1); -if (bondOrder > 3) bondOrder = 1; - else if (bondOrder < 0) bondOrder = 3; -break; -default: -return null; -} -var bsAtoms = new JU.BS (); -try { -if (bondOrder == 0) { -var bs = new JU.BS (); -bs.set (bond.index); -bsAtoms.set (bond.atom1.i); -bsAtoms.set (bond.atom2.i); -this.dBm (bs, false); -return bsAtoms; -}bond.setOrder (bondOrder | 131072); -if (bond.atom1.getElementNumber () != 1 && bond.atom2.getElementNumber () != 1) { -this.removeUnnecessaryBonds (bond.atom1, false); -this.removeUnnecessaryBonds (bond.atom2, false); -}bsAtoms.set (bond.atom1.i); -bsAtoms.set (bond.atom2.i); -} catch (e) { -if (Clazz_exceptionOf (e, Exception)) { -JU.Logger.error ("Exception in seBondOrder: " + e.toString ()); -} else { -throw e; -} -} -return bsAtoms; -}, "~N,~S"); Clazz_defineMethod (c$, "removeUnnecessaryBonds", function (atom, deleteAtom) { var bs = new JU.BS (); @@ -33800,7 +33927,7 @@ if (atom2.getElementNumber () == 1) bs.set (bonds[i].getOtherAtom (atom).i); } else { bsBonds.set (bonds[i].index); } -if (bsBonds.nextSetBit (0) >= 0) this.dBm (bsBonds, false); +if (bsBonds.nextSetBit (0) >= 0) (this).deleteBonds (bsBonds, false); if (deleteAtom) bs.set (atom.i); if (bs.nextSetBit (0) >= 0) this.vwr.deleteAtoms (bs, false); }, "JM.Atom,~B"); @@ -35366,7 +35493,7 @@ return this.count; }, "~N,JU.Point3fi,~B"); }); Clazz_declarePackage ("JM"); -Clazz_load (["JU.BS", "$.SB"], "JM.Model", ["java.util.Hashtable", "JU.AU", "JU.BSUtil"], function () { +Clazz_load (["JU.BS", "$.SB"], "JM.Model", ["java.util.Hashtable", "JU.AU", "JU.BSUtil", "JV.FileManager"], function () { c$ = Clazz_decorateAsClass (function () { this.ms = null; this.mat4 = null; @@ -35413,6 +35540,7 @@ this.jmolFrameType = null; this.pdbID = null; this.bsCheck = null; this.hasChirality = false; +this.isOrderly = true; Clazz_instantialize (this, arguments); }, JM, "Model"); Clazz_prepareFields (c$, function () { @@ -35433,10 +35561,13 @@ this.trajectoryBaseIndex = (this.isTrajectory ? trajectoryBaseIndex : modelIndex if (auxiliaryInfo == null) { auxiliaryInfo = new java.util.Hashtable (); }this.auxiliaryInfo = auxiliaryInfo; -if (auxiliaryInfo.containsKey ("biosymmetryCount")) { -this.biosymmetryCount = (auxiliaryInfo.get ("biosymmetryCount")).intValue (); +var bc = (auxiliaryInfo.get ("biosymmetryCount")); +if (bc != null) { +this.biosymmetryCount = bc.intValue (); this.biosymmetry = auxiliaryInfo.get ("biosymmetry"); -}this.properties = properties; +}var fname = auxiliaryInfo.get ("fileName"); +if (fname != null) auxiliaryInfo.put ("fileName", JV.FileManager.stripTypePrefix (fname)); +this.properties = properties; if (jmolData == null) { this.jmolFrameType = "modelSet"; } else { @@ -35449,15 +35580,16 @@ this.jmolFrameType = (jmolData.indexOf ("ramachandran") >= 0 ? "ramachandran" : }, "JM.ModelSet,~N,~N,~S,java.util.Properties,java.util.Map"); Clazz_defineMethod (c$, "getTrueAtomCount", function () { -return this.bsAtoms.cardinality () - this.bsAtomsDeleted.cardinality (); +return JU.BSUtil.andNot (this.bsAtoms, this.bsAtomsDeleted).cardinality (); }); Clazz_defineMethod (c$, "isContainedIn", function (bs) { if (this.bsCheck == null) this.bsCheck = new JU.BS (); +this.bsCheck.clearAll (); this.bsCheck.or (bs); -this.bsCheck.and (this.bsAtoms); -this.bsCheck.andNot (this.bsAtomsDeleted); -return (this.bsCheck.cardinality () == this.getTrueAtomCount ()); +var bsa = JU.BSUtil.andNot (this.bsAtoms, this.bsAtomsDeleted); +this.bsCheck.and (bsa); +return this.bsCheck.equals (bsa); }, "JU.BS"); Clazz_defineMethod (c$, "resetBoundCount", function () { @@ -35556,6 +35688,7 @@ this.specialAtomIndexes = null; this.someModelsHaveUnitcells = false; this.someModelsAreModulated = false; this.is2D = false; +this.isMOL2D = false; this.isMutate = false; this.isTrajectory = false; this.isPyMOLsession = false; @@ -35590,10 +35723,13 @@ this.adapterTrajectoryCount = 0; this.noAutoBond = false; this.modulationOn = false; this.htGroup1 = null; +this.appendToModelIndex = null; this.$mergeGroups = null; this.iChain = 0; this.vStereo = null; +this.lastModel = -1; this.structuresDefinedInFile = null; +this.stereodir = 1; Clazz_instantialize (this, arguments); }, JM, "ModelLoader"); Clazz_prepareFields (c$, function () { @@ -35697,7 +35833,8 @@ Clazz_defineMethod (c$, "createModelSet", var nAtoms = (adapter == null ? 0 : adapter.getAtomCount (asc)); if (nAtoms > 0) JU.Logger.info ("reading " + nAtoms + " atoms"); this.adapterModelCount = (adapter == null ? 1 : adapter.getAtomSetCount (asc)); -this.appendNew = !this.isMutate && (!this.merging || adapter == null || this.adapterModelCount > 1 || this.isTrajectory || this.vwr.getBoolean (603979792)); +this.appendToModelIndex = (this.ms.msInfo == null ? null : (this.ms.msInfo.get ("appendToModelIndex"))); +this.appendNew = !this.isMutate && (!this.merging || adapter == null || this.adapterModelCount > 1 || this.isTrajectory || this.vwr.getBoolean (603979792) && this.appendToModelIndex == null); this.htAtomMap.clear (); this.chainOf = new Array (32); this.group3Of = new Array (32); @@ -35746,7 +35883,7 @@ var atoms = this.ms.at; for (var i = this.baseAtomIndex; i < ac; i++) atoms[i].setMadAtom (this.vwr, rd); var models = this.ms.am; -for (var i = models[this.baseModelIndex].firstAtomIndex; i < ac; i++) models[atoms[i].mi].bsAtoms.set (i); +for (var i = models[this.baseModelIndex].firstAtomIndex; i < ac; i++) if (atoms[i] != null) models[atoms[i].mi].bsAtoms.set (i); this.freeze (); this.finalizeShapes (); @@ -35829,8 +35966,8 @@ if (this.appendNew) { this.baseModelIndex = this.baseModelCount; this.ms.mc = this.baseModelCount + this.adapterModelCount; } else { -this.baseModelIndex = this.vwr.am.cmi; -if (this.baseModelIndex < 0) this.baseModelIndex = this.baseModelCount - 1; +this.baseModelIndex = (this.appendToModelIndex == null ? this.vwr.am.cmi : this.appendToModelIndex.intValue ()); +if (this.baseModelIndex < 0 || this.baseModelIndex >= this.baseModelCount) this.baseModelIndex = this.baseModelCount - 1; this.ms.mc = this.baseModelCount; }this.ms.ac = this.baseAtomIndex = this.modelSet0.ac; this.ms.bondCount = this.modelSet0.bondCount; @@ -35888,7 +36025,7 @@ this.vwr.setStringProperty ("_fileType", modelAuxiliaryInfo.get ("fileType")); if (modelName == null) modelName = (this.jmolData != null && this.jmolData.indexOf (";") > 2 ? this.jmolData.substring (this.jmolData.indexOf (":") + 2, this.jmolData.indexOf (";")) : this.appendNew ? "" + (modelNumber % 1000000) : ""); this.setModelNameNumberProperties (ipt, iTrajectory, modelName, modelNumber, modelProperties, modelAuxiliaryInfo, this.jmolData); } -var m = this.ms.am[this.baseModelIndex]; +var m = this.ms.am[this.appendToModelIndex == null ? this.baseModelIndex : this.ms.mc - 1]; this.vwr.setSmilesString (this.ms.msInfo.get ("smilesString")); var loadState = this.ms.msInfo.remove ("loadState"); var loadScript = this.ms.msInfo.remove ("loadScript"); @@ -35901,8 +36038,10 @@ if (pt < 0 || pt != m.loadState.lastIndexOf (lines[i])) sb.append (lines[i]).app } m.loadState += m.loadScript.toString () + sb.toString (); m.loadScript = new JU.SB (); -if (loadScript.indexOf ("load append ") >= 0) loadScript.append ("; set appendNew true"); -m.loadScript.append (" ").appendSB (loadScript).append (";\n"); +if (loadScript.indexOf ("load append ") >= 0 || loadScript.indexOf ("data \"append ") >= 0) { +loadScript.insert (0, ";var anew = appendNew;"); +loadScript.append (";set appendNew anew"); +}m.loadScript.append (" ").appendSB (loadScript).append (";\n"); }if (this.isTrajectory) { var n = (this.ms.mc - ipt + 1); JU.Logger.info (n + " trajectory steps read"); @@ -36016,8 +36155,9 @@ this.iModel = modelIndex; this.model = models[modelIndex]; this.currentChainID = 2147483647; this.isNewChain = true; -models[modelIndex].bsAtoms.clearAll (); -isPdbThisModel = models[modelIndex].isBioModel; +this.model.bsAtoms.clearAll (); +this.model.isOrderly = (this.appendToModelIndex == null); +isPdbThisModel = this.model.isBioModel; iLast = modelIndex; addH = isPdbThisModel && this.doAddHydrogens; if (this.jbr != null) this.jbr.setHaveHsAlready (false); @@ -36028,15 +36168,16 @@ var isotope = iterAtom.getElementNumber (); if (addH && JU.Elements.getElementNumber (isotope) == 1) this.jbr.setHaveHsAlready (true); var name = iterAtom.getAtomName (); var charge = (addH ? this.getPdbCharge (group3, name) : iterAtom.getFormalCharge ()); -this.addAtom (isPdbThisModel, iterAtom.getSymmetry (), iterAtom.getAtomSite (), iterAtom.getUniqueID (), isotope, name, charge, iterAtom.getPartialCharge (), iterAtom.getTensors (), iterAtom.getOccupancy (), iterAtom.getBfactor (), iterAtom.getXYZ (), iterAtom.getIsHetero (), iterAtom.getSerial (), iterAtom.getSeqID (), group3, iterAtom.getVib (), iterAtom.getAltLoc (), iterAtom.getRadius ()); +this.addAtom (isPdbThisModel, iterAtom.getSymmetry (), iterAtom.getAtomSite (), iterAtom.getUniqueID (), isotope, name, charge, iterAtom.getPartialCharge (), iterAtom.getTensors (), iterAtom.getOccupancy (), iterAtom.getBfactor (), iterAtom.getXYZ (), iterAtom.getIsHetero (), iterAtom.getSerial (), iterAtom.getSeqID (), group3, iterAtom.getVib (), iterAtom.getAltLoc (), iterAtom.getRadius (), iterAtom.getBondRadius ()); } if (this.groupCount > 0 && addH) { this.jbr.addImplicitHydrogenAtoms (adapter, this.groupCount - 1, this.isNewChain && !isLegacyHAddition ? 1 : 0); }iLast = -1; var vdwtypeLast = null; var atoms = this.ms.at; +models[0].firstAtomIndex = 0; for (var i = 0; i < this.ms.ac; i++) { -if (atoms[i].mi != iLast) { +if (atoms[i] != null && atoms[i].mi > iLast) { iLast = atoms[i].mi; models[iLast].firstAtomIndex = i; var vdwtype = this.ms.getDefaultVdwType (iLast); @@ -36076,7 +36217,7 @@ Clazz_defineMethod (c$, "getPdbCharge", return (group3.equals ("ARG") && name.equals ("NH1") || group3.equals ("LYS") && name.equals ("NZ") || group3.equals ("HIS") && name.equals ("ND1") ? 1 : 0); }, "~S,~S"); Clazz_defineMethod (c$, "addAtom", - function (isPDB, atomSymmetry, atomSite, atomUid, atomicAndIsotopeNumber, atomName, formalCharge, partialCharge, tensors, occupancy, bfactor, xyz, isHetero, atomSerial, atomSeqID, group3, vib, alternateLocationID, radius) { + function (isPDB, atomSymmetry, atomSite, atomUid, atomicAndIsotopeNumber, atomName, formalCharge, partialCharge, tensors, occupancy, bfactor, xyz, isHetero, atomSerial, atomSeqID, group3, vib, alternateLocationID, radius, bondRadius) { var specialAtomID = 0; var atomType = null; if (atomName != null) { @@ -36088,10 +36229,10 @@ atomName = atomName.substring (0, i); if (atomName.indexOf ('*') >= 0) atomName = atomName.$replace ('*', '\''); specialAtomID = this.vwr.getJBR ().lookupSpecialAtomID (atomName); if (specialAtomID == 2 && "CA".equalsIgnoreCase (group3)) specialAtomID = 0; -}}var atom = this.ms.addAtom (this.iModel, this.nullGroup, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry); +}}var atom = this.ms.addAtom (this.iModel, this.nullGroup, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry, bondRadius); atom.altloc = alternateLocationID; this.htAtomMap.put (atomUid, atom); -}, "~B,JU.BS,~N,~O,~N,~S,~N,~N,JU.Lst,~N,~N,JU.P3,~B,~N,~N,~S,JU.V3,~S,~N"); +}, "~B,JU.BS,~N,~O,~N,~S,~N,~N,JU.Lst,~N,~N,JU.P3,~B,~N,~N,~S,JU.V3,~S,~N,~N"); Clazz_defineMethod (c$, "checkNewGroup", function (adapter, chainID, group3, groupSequenceNumber, groupInsertionCode, addH, isLegacyHAddition) { var group3i = (group3 == null ? null : group3.intern ()); @@ -36165,7 +36306,12 @@ var isNear = (order == 1025); var isFar = (order == 1041); var bond; if (isNear || isFar) { -bond = this.ms.bondMutually (atom1, atom2, (this.is2D ? order : 1), this.ms.getDefaultMadFromOrder (1), 0); +var m = atom1.getModelIndex (); +if (m != this.lastModel) { +this.lastModel = m; +var info = this.ms.getModelAuxiliaryInfo (m); +this.isMOL2D = (info != null && "2D".equals (info.get ("dimension"))); +}bond = this.ms.bondMutually (atom1, atom2, (this.isMOL2D ? order : 1), this.ms.getDefaultMadFromOrder (1), 0); if (this.vStereo == null) { this.vStereo = new JU.Lst (); }this.vStereo.addLast (bond); @@ -36226,16 +36372,18 @@ for (var imodel = this.baseModelIndex; imodel < this.ms.mc; imodel++) if (this.m }}); Clazz_defineMethod (c$, "initializeBonding", function () { -var bsExclude = (this.ms.getInfoM ("someModelsHaveCONECT") == null ? null : new JU.BS ()); -if (bsExclude != null) this.ms.setPdbConectBonding (this.baseAtomIndex, this.baseModelIndex, bsExclude); +var modelCount = this.ms.mc; +var models = this.ms.am; var modelAtomCount = 0; -var symmetryAlreadyAppliedToBonds = this.vwr.getBoolean (603979794); +var bsExclude = this.ms.getInfoM ("bsExcludeBonding"); +if (bsExclude == null) { +bsExclude = (this.ms.getInfoM ("someModelsHaveCONECT") == null ? null : new JU.BS ()); +if (bsExclude != null) this.ms.setPdbConectBonding (this.baseAtomIndex, this.baseModelIndex, bsExclude); +}var symmetryAlreadyAppliedToBonds = this.vwr.getBoolean (603979794); var doAutoBond = this.vwr.getBoolean (603979798); var forceAutoBond = this.vwr.getBoolean (603979846); var bs = null; var autoBonding = false; -var modelCount = this.ms.mc; -var models = this.ms.am; if (!this.noAutoBond) for (var i = this.baseModelIndex; i < modelCount; i++) { modelAtomCount = models[i].bsAtoms.cardinality (); var modelBondCount = this.ms.getInfoI (i, "initialBondCount"); @@ -36340,14 +36488,33 @@ this.ms.elementsPresent = new Array (this.ms.mc); for (var i = 0; i < this.ms.mc; i++) this.ms.elementsPresent[i] = JU.BS.newN (64); for (var i = this.ms.ac; --i >= 0; ) { -var n = this.ms.at[i].getAtomicAndIsotopeNumber (); +var a = this.ms.at[i]; +if (a == null) continue; +var n = a.getAtomicAndIsotopeNumber (); if (n >= JU.Elements.elementNumberMax) n = JU.Elements.elementNumberMax + JU.Elements.altElementIndexFromNumber (n); -this.ms.elementsPresent[this.ms.at[i].mi].set (n); +this.ms.elementsPresent[a.mi].set (n); } }); Clazz_defineMethod (c$, "applyStereochemistry", function () { -this.set2dZ (this.baseAtomIndex, this.ms.ac); +this.set2DLengths (this.baseAtomIndex, this.ms.ac); +var v = new JU.V3 (); +if (this.vStereo != null) { +out : for (var i = this.vStereo.size (); --i >= 0; ) { +var b = this.vStereo.get (i); +var a1 = b.atom1; +var bonds = a1.bonds; +for (var j = a1.getBondCount (); --j >= 0; ) { +var b2 = bonds[j]; +if (b2 === b) continue; +var a2 = b2.getOtherAtom (a1); +v.sub2 (a2, a1); +if (Math.abs (v.x) < 0.1) { +if ((b.order == 1025) == (v.y < 0)) this.stereodir = -1; +break out; +}} +} +}this.set2dZ (this.baseAtomIndex, this.ms.ac, v); if (this.vStereo != null) { var bsToTest = new JU.BS (); bsToTest.setBits (this.baseAtomIndex, this.ms.ac); @@ -36366,32 +36533,53 @@ b.atom2.y = (b.atom1.y + b.atom2.y) / 2; this.vStereo = null; }this.is2D = false; }); -Clazz_defineMethod (c$, "set2dZ", +Clazz_defineMethod (c$, "set2DLengths", function (iatom1, iatom2) { +var scaling = 0; +var n = 0; +for (var i = iatom1; i < iatom2; i++) { +var a = this.ms.at[i]; +var bonds = a.bonds; +if (bonds == null) continue; +for (var j = bonds.length; --j >= 0; ) { +if (bonds[j] == null) continue; +var b = bonds[j].getOtherAtom (a); +if (b.getAtomNumber () != 1 && b.getIndex () > i) { +scaling += b.distance (a); +n++; +}} +} +if (n == 0) return; +scaling = 1.45 / (scaling / n); +for (var i = iatom1; i < iatom2; i++) { +this.ms.at[i].scale (scaling); +} +}, "~N,~N"); +Clazz_defineMethod (c$, "set2dZ", + function (iatom1, iatom2, v) { var atomlist = JU.BS.newN (iatom2); var bsBranch = new JU.BS (); -var v = new JU.V3 (); var v0 = JU.V3.new3 (0, 1, 0); var v1 = new JU.V3 (); var bs0 = new JU.BS (); bs0.setBits (iatom1, iatom2); for (var i = iatom1; i < iatom2; i++) if (!atomlist.get (i) && !bsBranch.get (i)) { -bsBranch = this.getBranch2dZ (i, -1, bs0, bsBranch, v, v0, v1); +bsBranch = this.getBranch2dZ (i, -1, bs0, bsBranch, v, v0, v1, this.stereodir); atomlist.or (bsBranch); } -}, "~N,~N"); +}, "~N,~N,JU.V3"); Clazz_defineMethod (c$, "getBranch2dZ", - function (atomIndex, atomIndexNot, bs0, bsBranch, v, v0, v1) { + function (atomIndex, atomIndexNot, bs0, bsBranch, v, v0, v1, dir) { var bs = JU.BS.newN (this.ms.ac); if (atomIndex < 0) return bs; var bsToTest = new JU.BS (); bsToTest.or (bs0); if (atomIndexNot >= 0) bsToTest.clear (atomIndexNot); -JM.ModelLoader.setBranch2dZ (this.ms.at[atomIndex], bs, bsToTest, v, v0, v1); +JM.ModelLoader.setBranch2dZ (this.ms.at[atomIndex], bs, bsToTest, v, v0, v1, dir); return bs; -}, "~N,~N,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3"); +}, "~N,~N,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3,~N"); c$.setBranch2dZ = Clazz_defineMethod (c$, "setBranch2dZ", - function (atom, bs, bsToTest, v, v0, v1) { + function (atom, bs, bsToTest, v, v0, v1, dir) { var atomIndex = atom.i; if (!bsToTest.get (atomIndex)) return; bsToTest.clear (atomIndex); @@ -36401,19 +36589,20 @@ for (var i = atom.bonds.length; --i >= 0; ) { var bond = atom.bonds[i]; if (bond.isHydrogen ()) continue; var atom2 = bond.getOtherAtom (atom); -JM.ModelLoader.setAtom2dZ (atom, atom2, v, v0, v1); -JM.ModelLoader.setBranch2dZ (atom2, bs, bsToTest, v, v0, v1); +JM.ModelLoader.setAtom2dZ (atom, atom2, v, v0, v1, dir); +JM.ModelLoader.setBranch2dZ (atom2, bs, bsToTest, v, v0, v1, dir); } -}, "JM.Atom,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3"); +}, "JM.Atom,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3,~N"); c$.setAtom2dZ = Clazz_defineMethod (c$, "setAtom2dZ", - function (atomRef, atom2, v, v0, v1) { + function (atomRef, atom2, v, v0, v1, dir) { v.sub2 (atom2, atomRef); v.z = 0; v.normalize (); v1.cross (v0, v); var theta = Math.acos (v.dot (v0)); -atom2.z = atomRef.z + (0.8 * Math.sin (4 * theta)); -}, "JM.Atom,JM.Atom,JU.V3,JU.V3,JU.V3"); +var f = (0.4 * -dir * Math.sin (4 * theta)); +atom2.z = atomRef.z + f; +}, "JM.Atom,JM.Atom,JU.V3,JU.V3,JU.V3,~N"); Clazz_defineMethod (c$, "finalizeShapes", function () { this.ms.sm = this.vwr.shm; @@ -36791,8 +36980,13 @@ haveVibration = false; pointGroup = null; } else { pts = this.at; -}}if (type != null && type.indexOf (":") >= 0) type = type.substring (0, type.indexOf (":")); -pointGroup = symmetry.setPointGroup (pointGroup, center, pts, bs, haveVibration, (isPoints ? 0 : this.vwr.getFloat (570425382)), this.vwr.getFloat (570425384), localEnvOnly); +}}var tp; +if (type != null && (tp = type.indexOf (":")) >= 0) type = type.substring (0, tp); +if (type != null && (tp = type.indexOf (".")) >= 0) { +index = JU.PT.parseInt (type.substring (tp + 1)); +if (index < 0) index = 0; +type = type.substring (0, tp); +}pointGroup = symmetry.setPointGroup (pointGroup, center, pts, bs, haveVibration, (isPoints ? 0 : this.vwr.getFloat (570425382)), this.vwr.getFloat (570425384), localEnvOnly); if (!isPolyhedron && !isPoints) this.pointGroup = pointGroup; if (!doAll && !asInfo) return pointGroup.getPointGroupName (); var ret = pointGroup.getPointGroupInfo (modelIndex, id, asInfo, type, index, scale); @@ -36890,16 +37084,30 @@ bsDeleted = this.getModelAtomBitSetIncludingDeleted (-1, true); this.vwr.zap (true, false, false); return bsDeleted; }this.validateBspf (false); -var newModels = new Array (this.mc - nModelsDeleted); -var oldModels = this.am; bsDeleted = new JU.BS (); -for (var i = 0, mpt = 0; i < this.mc; i++) if (bsModels.get (i)) { -this.getAtomCountInModel (i); +var allOrderly = true; +var isOneOfSeveral = false; +var files = new JU.BS (); +for (var i = 0; i < this.mc; i++) { +var m = this.am[i]; +allOrderly = new Boolean (allOrderly & m.isOrderly).valueOf (); +if (bsModels.get (i)) { +if (m.fileIndex >= 0) files.set (m.fileIndex); bsDeleted.or (this.getModelAtomBitSetIncludingDeleted (i, false)); } else { -this.am[i].modelIndex = mpt; -newModels[mpt++] = this.am[i]; -} +if (m.fileIndex >= 0 && files.get (m.fileIndex)) isOneOfSeveral = true; +}} +if (!allOrderly || isOneOfSeveral) { +this.vwr.deleteAtoms (bsDeleted, false); +return null; +}var newModels = new Array (this.mc - nModelsDeleted); +var oldModels = this.am; +for (var i = 0, mpt = 0; i < this.mc; i++) { +if (!bsModels.get (i)) { +var m = this.am[i]; +m.modelIndex = mpt; +newModels[mpt++] = m; +}} this.am = newModels; var oldModelCount = this.mc; var bsBonds = this.getBondsForSelectedAtoms (bsDeleted, true); @@ -36908,12 +37116,15 @@ for (var i = 0, mpt = 0; i < oldModelCount; i++) { if (!bsModels.get (i)) { mpt++; continue; -}var nAtoms = oldModels[i].act; +}var old = oldModels[i]; +var nAtoms = old.act; if (nAtoms == 0) continue; -var bsModelAtoms = oldModels[i].bsAtoms; -var firstAtomIndex = oldModels[i].firstAtomIndex; +var bsModelAtoms = old.bsAtoms; +var firstAtomIndex = old.firstAtomIndex; JU.BSUtil.deleteBits (this.bsSymmetry, bsModelAtoms); -this.deleteModel (mpt, firstAtomIndex, nAtoms, bsModelAtoms, bsBonds); +this.deleteModel (mpt, bsModelAtoms, bsBonds); +this.deleteModelAtoms (firstAtomIndex, nAtoms, bsModelAtoms); +this.vwr.deleteModelAtoms (mpt, firstAtomIndex, nAtoms, bsModelAtoms); for (var j = oldModelCount; --j > i; ) oldModels[j].fixIndices (mpt, nAtoms, bsModelAtoms); this.vwr.shm.deleteShapeAtoms ( Clazz_newArray (-1, [newModels, this.at, Clazz_newIntArray (-1, [mpt, firstAtomIndex, nAtoms])]), bsModelAtoms); @@ -36933,6 +37144,7 @@ return bsDeleted; }, "JU.BS"); Clazz_defineMethod (c$, "resetMolecules", function () { +this.bsAll = null; this.molecules = null; this.moleculeCount = 0; this.resetChirality (); @@ -36943,12 +37155,13 @@ if (this.haveChirality) { var modelIndex = -1; for (var i = this.ac; --i >= 0; ) { var a = this.at[i]; +if (a == null) continue; a.setCIPChirality (0); -if (a.mi != modelIndex) this.am[modelIndex = a.mi].hasChirality = false; +if (a.mi != modelIndex && a.mi < this.am.length) this.am[modelIndex = a.mi].hasChirality = false; } }}); Clazz_defineMethod (c$, "deleteModel", - function (modelIndex, firstAtomIndex, nAtoms, bsModelAtoms, bsBonds) { + function (modelIndex, bsModelAtoms, bsBonds) { if (modelIndex < 0) { return; }this.modelNumbers = JU.AU.deleteElements (this.modelNumbers, modelIndex, 1); @@ -36974,9 +37187,7 @@ this.unitCells = JU.AU.deleteElements (this.unitCells, modelIndex, 1); if (!this.stateScripts.get (i).deleteAtoms (modelIndex, bsBonds, bsModelAtoms)) { this.stateScripts.removeItemAt (i); }} -this.deleteModelAtoms (firstAtomIndex, nAtoms, bsModelAtoms); -this.vwr.deleteModelAtoms (modelIndex, firstAtomIndex, nAtoms, bsModelAtoms); -}, "~N,~N,~N,JU.BS,JU.BS"); +}, "~N,JU.BS,JU.BS"); Clazz_defineMethod (c$, "setAtomProperty", function (bs, tok, iValue, fValue, sValue, values, list) { switch (tok) { @@ -37038,7 +37249,7 @@ var mad = this.getDefaultMadFromOrder (1); this.am[modelIndex].resetDSSR (false); for (var i = 0, n = this.am[modelIndex].act + 1; i < vConnections.size (); i++, n++) { var atom1 = vConnections.get (i); -var atom2 = this.addAtom (modelIndex, atom1.group, 1, "H" + n, null, n, atom1.getSeqID (), n, pts[i], NaN, null, 0, 0, 100, NaN, null, false, 0, null); +var atom2 = this.addAtom (modelIndex, atom1.group, 1, "H" + n, null, n, atom1.getSeqID (), n, pts[i], NaN, null, 0, 0, 100, NaN, null, false, 0, null, NaN); atom2.setMadAtom (this.vwr, rd); bs.set (atom2.i); this.bondAtoms (atom1, atom2, 1, mad, null, 0, false, false); @@ -37176,6 +37387,7 @@ var bsModels = this.vwr.getVisibleFramesBitSet (); var bs = new JU.BS (); for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; if (!bsModels.get (atom.mi)) i = this.am[atom.mi].firstAtomIndex; else if (atom.checkVisible () && rect.contains (atom.sX, atom.sY)) bs.set (i); } @@ -37200,12 +37412,15 @@ return (r == 0 ? 10 : r); }if (useBoundBox && this.getDefaultBoundBox () != null) return this.defaultBBox.getMaxDim () / 2 * 1.2; var maxRadius = 0; for (var i = this.ac; --i >= 0; ) { -if (this.isJmolDataFrameForAtom (this.at[i])) { -modelIndex = this.at[i].mi; -while (i >= 0 && this.at[i].mi == modelIndex) i--; +var atom = this.at[i]; +if (atom == null) continue; +if (this.isJmolDataFrameForAtom (atom)) { +modelIndex = atom.mi; +while (i >= 0 && this.at[i] != null && this.at[i].mi == modelIndex) i--; continue; -}var atom = this.at[i]; +}atom = this.at[i]; +if (atom == null) continue; var distAtom = center.distance (atom); var outerVdw = distAtom + this.getRadiusVdwJmol (atom); if (outerVdw > maxRadius) maxRadius = outerVdw; @@ -37341,7 +37556,7 @@ return ptCenter; }, "JU.BS"); Clazz_defineMethod (c$, "getAverageAtomPoint", function () { -return (this.getAtomSetCenter (this.vwr.bsA ())); +return this.getAtomSetCenter (this.vwr.bsA ()); }); Clazz_defineMethod (c$, "setAPm", function (bs, tok, iValue, fValue, sValue, values, list) { @@ -37405,9 +37620,11 @@ var isAll = (atomList == null); allTrajectories = new Boolean (allTrajectories & (this.trajectory != null)).valueOf (); var i0 = (isAll ? 0 : atomList.nextSetBit (0)); for (var i = i0; i >= 0 && i < this.ac; i = (isAll ? i + 1 : atomList.nextSetBit (i + 1))) { +if (this.at[i] == null) continue; bs.set (modelIndex = this.at[i].mi); if (allTrajectories) this.trajectory.getModelBS (modelIndex, bs); -i = this.am[modelIndex].firstAtomIndex + this.am[modelIndex].act - 1; +var m = this.am[modelIndex]; +if (m.isOrderly) i = m.firstAtomIndex + m.act - 1; } return bs; }, "JU.BS,~B"); @@ -37435,7 +37652,7 @@ for (var iAtom = bs.nextSetBit (0); iAtom >= 0; iAtom = bs.nextSetBit (iAtom + 1 }if ((mode & 8) != 0) { var nH = Clazz_newIntArray (1, 0); atomData.hAtomRadius = this.vwr.getVanderwaalsMar (1) / 1000; -atomData.hAtoms = this.calculateHydrogens (atomData.bsSelected, nH, false, true, null); +atomData.hAtoms = this.calculateHydrogens (atomData.bsSelected, nH, null, 512); atomData.hydrogenAtomCount = nH[0]; return; }if (atomData.modelIndex < 0) atomData.firstAtomIndex = (atomData.bsSelected == null ? 0 : Math.max (0, atomData.bsSelected.nextSetBit (0))); @@ -37797,7 +38014,7 @@ if (JU.Logger.debugging) JU.Logger.debug ("sequential bspt order"); var bsNew = JU.BS.newN (this.mc); for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; -if (!atom.isDeleted () && !this.isTrajectorySubFrame (atom.mi)) { +if (atom != null && !atom.isDeleted () && !this.isTrajectorySubFrame (atom.mi)) { bspf.addTuple (this.am[atom.mi].trajectoryBaseIndex, atom); bsNew.set (atom.mi); }} @@ -37869,7 +38086,6 @@ return (asCopy ? JU.BSUtil.copy (bs) : bs); }, "~N,~B"); Clazz_defineMethod (c$, "getAtomBitsMaybeDeleted", function (tokType, specInfo) { -var info; var bs; switch (tokType) { default: @@ -37893,16 +38109,15 @@ for (var i = bs.nextSetBit (0); i >= 0; i = bs.nextSetBit (i + 1)) if (!boxInfo. return bs; case 1094713349: bs = new JU.BS (); -info = specInfo; -this.ptTemp1.set (info[0] / 1000, info[1] / 1000, info[2] / 1000); +var pt = specInfo; var ignoreOffset = false; -for (var i = this.ac; --i >= 0; ) if (this.isInLatticeCell (i, this.ptTemp1, this.ptTemp2, ignoreOffset)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isInLatticeCell (i, pt, this.ptTemp2, ignoreOffset)) bs.set (i); return bs; case 1094713350: bs = JU.BSUtil.newBitSet2 (0, this.ac); -info = specInfo; -var minmax = Clazz_newIntArray (-1, [Clazz_doubleToInt (info[0] / 1000) - 1, Clazz_doubleToInt (info[1] / 1000) - 1, Clazz_doubleToInt (info[2] / 1000) - 1, Clazz_doubleToInt (info[0] / 1000), Clazz_doubleToInt (info[1] / 1000), Clazz_doubleToInt (info[2] / 1000), 0]); +var pt1 = specInfo; +var minmax = Clazz_newIntArray (-1, [Clazz_floatToInt (pt1.x) - 1, Clazz_floatToInt (pt1.y) - 1, Clazz_floatToInt (pt1.z) - 1, Clazz_floatToInt (pt1.x), Clazz_floatToInt (pt1.y), Clazz_floatToInt (pt1.z), 0]); for (var i = this.mc; --i >= 0; ) { var uc = this.getUnitCell (i); if (uc == null) { @@ -37921,6 +38136,7 @@ var modelIndex = -1; var nOps = 0; for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; +if (atom == null) continue; var bsSym = atom.atomSymmetry; if (bsSym != null) { if (atom.mi != modelIndex) { @@ -37941,7 +38157,7 @@ bs = new JU.BS (); var unitcell = this.vwr.getCurrentUnitCell (); if (unitcell == null) return bs; this.ptTemp1.set (1, 1, 1); -for (var i = this.ac; --i >= 0; ) if (this.isInLatticeCell (i, this.ptTemp1, this.ptTemp2, false)) bs.set (i); +for (var i = this.ac; --i >= 0; ) if (this.at[i] != null && this.isInLatticeCell (i, this.ptTemp1, this.ptTemp2, false)) bs.set (i); return bs; } @@ -38050,7 +38266,7 @@ if (distance < 0) { distance = -distance; for (var i = this.ac; --i >= 0; ) { var atom = this.at[i]; -if (modelIndex >= 0 && this.at[i].mi != modelIndex) continue; +if (atom == null || modelIndex >= 0 && atom.mi != modelIndex) continue; if (!bsResult.get (i) && atom.getFractionalUnitDistance (coord, this.ptTemp1, this.ptTemp2) <= distance) bsResult.set (atom.i); } return bsResult; @@ -38155,7 +38371,7 @@ j = 2147483646; } else { if (j == i) continue; atomB = this.at[j]; -if (atomA.mi != atomB.mi || atomB.isDeleted ()) continue; +if (atomB == null || atomA.mi != atomB.mi || atomB.isDeleted ()) continue; if (altloc != '\0' && altloc != atomB.altloc && atomB.altloc != '\0') continue; bondAB = atomA.getBond (atomB); }if ((bondAB == null ? idOrModifyOnly : createOnly) || checkDistance && !this.isInRange (atomA, atomB, minD, maxD, minDIsFrac, maxDIsFrac, isFractional) || isAromatic && !this.allowAromaticBond (bondAB)) continue; @@ -38165,8 +38381,10 @@ nNew++; } else { if (notAnyAndNoId) { bondAB.setOrder (order); -if (isAtrop) bondAB.setAtropisomerOptions (bsA, bsB); -this.bsAromatic.clear (bondAB.index); +if (isAtrop) { +this.haveAtropicBonds = true; +bondAB.setAtropisomerOptions (bsA, bsB); +}this.bsAromatic.clear (bondAB.index); }if (anyOrNoId || order == bondAB.order || newOrder == bondAB.order || matchHbond && bondAB.isHydrogen ()) { bsBonds.set (bondAB.index); nModified++; @@ -38213,7 +38431,7 @@ for (var i = i0; i >= 0 && i < this.ac; i = (isAll ? i + 1 : bsCheck.nextSetBit var isAtomInSetA = (isAll || bsA.get (i)); var isAtomInSetB = (isAll || bsB.get (i)); var atom = this.at[i]; -if (atom.isDeleted ()) continue; +if (atom == null || atom.isDeleted ()) continue; var modelIndex = atom.mi; if (modelIndex != lastModelIndex) { lastModelIndex = modelIndex; @@ -38223,6 +38441,9 @@ continue; }useOccupation = this.getInfoB (modelIndex, "autoBondUsingOccupation"); }var myBondingRadius = atom.getBondingRadius (); if (myBondingRadius == 0) continue; +var myFormalCharge = atom.getFormalCharge (); +var useCharge = (myFormalCharge != 0); +if (useCharge) myFormalCharge = Math.signum (myFormalCharge); var isFirstExcluded = (bsExclude != null && bsExclude.get (i)); var searchRadius = myBondingRadius + this.maxBondingRadius + bondTolerance; this.setIteratorForAtom (iter, -1, i, searchRadius, null); @@ -38232,7 +38453,7 @@ if (atomNear.isDeleted ()) continue; var j = atomNear.i; var isNearInSetA = (isAll || bsA.get (j)); var isNearInSetB = (isAll || bsB.get (j)); -if (!isNearInSetA && !isNearInSetB || !(isAtomInSetA && isNearInSetB || isAtomInSetB && isNearInSetA) || isFirstExcluded && bsExclude.get (j) || useOccupation && this.occupancies != null && (this.occupancies[i] < 50) != (this.occupancies[j] < 50)) continue; +if (!isNearInSetA && !isNearInSetB || !(isAtomInSetA && isNearInSetB || isAtomInSetB && isNearInSetA) || isFirstExcluded && bsExclude.get (j) || useOccupation && this.occupancies != null && (this.occupancies[i] < 50) != (this.occupancies[j] < 50) || useCharge && (Math.signum (atomNear.getFormalCharge ()) == myFormalCharge)) continue; var order = (this.isBondable (myBondingRadius, atomNear.getBondingRadius (), iter.foundDistance2 (), minBondDistance2, bondTolerance) ? 1 : 0); if (order > 0 && this.autoBondCheck (atom, atomNear, order, mad, bsBonds)) nNew++; } @@ -38274,16 +38495,17 @@ var nNew = 0; this.initializeBspf (); var lastModelIndex = -1; for (var i = this.ac; --i >= 0; ) { +var atom = this.at[i]; +if (atom == null) continue; var isAtomInSetA = (bsA == null || bsA.get (i)); var isAtomInSetB = (bsB == null || bsB.get (i)); if (!isAtomInSetA && !isAtomInSetB) continue; -var atom = this.at[i]; if (atom.isDeleted ()) continue; var modelIndex = atom.mi; if (modelIndex != lastModelIndex) { lastModelIndex = modelIndex; if (this.isJmolDataFrameForModel (modelIndex)) { -for (; --i >= 0; ) if (this.at[i].mi != modelIndex) break; +for (; --i >= 0; ) if (this.at[i] == null || this.at[i].mi != modelIndex) break; i++; continue; @@ -38344,15 +38566,16 @@ bsCO.set (i); break; } } -}var dmax = this.vwr.getFloat (570425361); +}var dmax; var min2; if (haveHAtoms) { -if (dmax > JM.ModelSet.hbondMaxReal) dmax = JM.ModelSet.hbondMaxReal; +dmax = this.vwr.getFloat (570425361); min2 = 1; } else { +dmax = this.vwr.getFloat (570425360); min2 = JM.ModelSet.hbondMinRasmol * JM.ModelSet.hbondMinRasmol; }var max2 = dmax * dmax; -var minAttachedAngle = (this.vwr.getFloat (570425360) * 3.141592653589793 / 180); +var minAttachedAngle = (this.vwr.getFloat (570425359) * 3.141592653589793 / 180); var nNew = 0; var d2 = 0; var v1 = new JU.V3 (); @@ -38435,6 +38658,7 @@ var lastid = -1; var imodel = -1; var lastmodel = -1; for (var i = 0; i < this.ac; i++) { +if (this.at[i] == null) continue; if ((imodel = this.at[i].mi) != lastmodel) { idnew = 0; lastmodel = imodel; @@ -38506,63 +38730,24 @@ newModels[i].loadState = " model create #" + i + ";"; this.am = newModels; this.mc = newModelCount; }, "~N"); -Clazz_defineMethod (c$, "assignAtom", -function (atomIndex, type, autoBond, addHsAndBond) { -this.clearDB (atomIndex); -if (type == null) type = "C"; -var atom = this.at[atomIndex]; -var bs = new JU.BS (); -var wasH = (atom.getElementNumber () == 1); -var atomicNumber = JU.Elements.elementNumberFromSymbol (type, true); -var isDelete = false; -if (atomicNumber > 0) { -this.setElement (atom, atomicNumber, !addHsAndBond); -this.vwr.shm.setShapeSizeBs (0, 0, this.vwr.rd, JU.BSUtil.newAndSetBit (atomIndex)); -this.setAtomName (atomIndex, type + atom.getAtomNumber (), !addHsAndBond); -if (this.vwr.getBoolean (603983903)) this.am[atom.mi].isModelKit = true; -if (!this.am[atom.mi].isModelKit) this.taintAtom (atomIndex, 0); -} else if (type.equals ("Pl")) { -atom.setFormalCharge (atom.getFormalCharge () + 1); -} else if (type.equals ("Mi")) { -atom.setFormalCharge (atom.getFormalCharge () - 1); -} else if (type.equals ("X")) { -isDelete = true; -} else if (!type.equals (".")) { -return; -}if (!addHsAndBond) return; -this.removeUnnecessaryBonds (atom, isDelete); -var dx = 0; -if (atom.getCovalentBondCount () == 1) if (wasH) { -dx = 1.50; -} else if (!wasH && atomicNumber == 1) { -dx = 1.0; -}if (dx != 0) { -var v = JU.V3.newVsub (atom, this.at[atom.getBondedAtomIndex (0)]); -var d = v.length (); -v.normalize (); -v.scale (dx - d); -this.setAtomCoordRelative (atomIndex, v.x, v.y, v.z); -}var bsA = JU.BSUtil.newAndSetBit (atomIndex); -if (atomicNumber != 1 && autoBond) { -this.validateBspf (false); -bs = this.getAtomsWithinRadius (1.0, bsA, false, null); -bs.andNot (bsA); -if (bs.nextSetBit (0) >= 0) this.vwr.deleteAtoms (bs, false); -bs = this.vwr.getModelUndeletedAtomsBitSet (atom.mi); -bs.andNot (this.getAtomBitsMDa (1612709900, null, new JU.BS ())); -this.makeConnections2 (0.1, 1.8, 1, 1073741904, bsA, bs, null, false, false, 0); -}if (true) this.vwr.addHydrogens (bsA, false, true); -}, "~N,~S,~B,~B"); Clazz_defineMethod (c$, "deleteAtoms", function (bs) { if (bs == null) return; var bsBonds = new JU.BS (); -for (var i = bs.nextSetBit (0); i >= 0 && i < this.ac; i = bs.nextSetBit (i + 1)) this.at[i].$delete (bsBonds); - +var doNull = false; +for (var i = bs.nextSetBit (0); i >= 0 && i < this.ac; i = bs.nextSetBit (i + 1)) { +this.at[i].$delete (bsBonds); +if (doNull) this.at[i] = null; +} for (var i = 0; i < this.mc; i++) { -this.am[i].bsAtomsDeleted.or (bs); -this.am[i].bsAtomsDeleted.and (this.am[i].bsAtoms); -this.am[i].resetDSSR (false); +var m = this.am[i]; +m.resetDSSR (false); +m.bsAtomsDeleted.or (bs); +m.bsAtomsDeleted.and (m.bsAtoms); +bs = JU.BSUtil.andNot (m.bsAtoms, m.bsAtomsDeleted); +m.firstAtomIndex = bs.nextSetBit (0); +m.act = bs.cardinality (); +m.isOrderly = (m.act == m.bsAtoms.length ()); } this.deleteBonds (bsBonds, false); this.validateBspf (false); @@ -38624,7 +38809,7 @@ if (this.atomSerials != null) this.atomSerials = JU.AU.arrayCopyI (this.atomSeri if (this.atomSeqIDs != null) this.atomSeqIDs = JU.AU.arrayCopyI (this.atomSeqIDs, newLength); }, "~N"); Clazz_defineMethod (c$, "addAtom", -function (modelIndex, group, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry) { +function (modelIndex, group, atomicAndIsotopeNumber, atomName, atomType, atomSerial, atomSeqID, atomSite, xyz, radius, vib, formalCharge, partialCharge, occupancy, bfactor, tensors, isHetero, specialAtomID, atomSymmetry, bondRadius) { var atom = new JM.Atom ().setAtom (modelIndex, this.ac, xyz, radius, atomSymmetry, atomSite, atomicAndIsotopeNumber, formalCharge, isHetero); this.am[modelIndex].act++; this.am[modelIndex].bsAtoms.set (this.ac); @@ -38652,9 +38837,10 @@ this.atomSerials[this.ac] = atomSerial; if (this.atomSeqIDs == null) this.atomSeqIDs = Clazz_newIntArray (this.at.length, 0); this.atomSeqIDs[this.ac] = atomSeqID; }if (vib != null) this.setVibrationVector (this.ac, vib); +if (!Float.isNaN (bondRadius)) this.setBondingRadius (this.ac, bondRadius); this.ac++; return atom; -}, "~N,JM.Group,~N,~S,~S,~N,~N,~N,JU.P3,~N,JU.V3,~N,~N,~N,~N,JU.Lst,~B,~N,JU.BS"); +}, "~N,JM.Group,~N,~S,~S,~N,~N,~N,JU.P3,~N,JU.V3,~N,~N,~N,~N,JU.Lst,~B,~N,JU.BS,~N"); Clazz_defineMethod (c$, "getInlineData", function (modelIndex) { var data = null; @@ -38701,12 +38887,16 @@ var lastModelIndex = 2147483647; var atomNo = 1; for (var i = iFirst; i < this.ac; ++i) { var atom = this.at[i]; +if (atom == null) continue; if (atom.mi != lastModelIndex) { lastModelIndex = atom.mi; atomNo = (isZeroBased ? 0 : 1); -}if (i >= -baseAtomIndex) { -if (this.atomSerials[i] == 0 || baseAtomIndex < 0) this.atomSerials[i] = (i < baseAtomIndex ? mergeSet.atomSerials[i] : atomNo); +}var ano = this.atomSerials[i]; +if (i >= -baseAtomIndex) { +if (ano == 0 || baseAtomIndex < 0) this.atomSerials[i] = (i < baseAtomIndex ? mergeSet.atomSerials[i] : atomNo); if (this.atomNames[i] == null || baseAtomIndex < 0) this.atomNames[i] = (atom.getElementSymbol () + this.atomSerials[i]).intern (); +} else if (ano > atomNo) { +atomNo = ano; }if (!this.am[lastModelIndex].isModelKit || atom.getElementNumber () > 0 && !atom.isDeleted ()) atomNo++; } }, "~N,~N,JM.AtomCollection"); @@ -39333,9 +39523,7 @@ for (var i = bsAtoms.nextSetBit (0); i >= 0; i = bsAtoms.nextSetBit (i + 1)) s + return s; }, "JU.BS,~B"); Clazz_defineStatics (c$, -"hbondMinRasmol", 2.5, -"hbondMaxReal", 3.5, -"hbondHCMaxReal", 3.2); +"hbondMinRasmol", 2.5); }); Clazz_declarePackage ("JM"); Clazz_load (["JU.M3", "$.P3"], "JM.Orientation", ["JU.PT", "JU.Escape"], function () { @@ -40798,6 +40986,7 @@ var boxed = Integer.$valueOf (JU.Elements.altElementNumbers[i]); map.put (symbol, boxed); if (symbol.length == 2) map.put (symbol.toUpperCase (), boxed); } +map.put ("Z", Integer.$valueOf (0)); JU.Elements.htElementMap = map; }if (elementSymbol == null) return 0; var boxedAtomicNumber = JU.Elements.htElementMap.get (elementSymbol); @@ -41025,7 +41214,17 @@ if (Clazz_instanceOf (x, JU.T3)) return JU.Escape.eP (x); if (JU.AU.isAP (x)) return JU.Escape.eAP (x); if (JU.AU.isAS (x)) return JU.Escape.eAS (x, true); if (Clazz_instanceOf (x, JU.M34)) return JU.PT.rep (JU.PT.rep (x.toString (), "[\n ", "["), "] ]", "]]"); -if (Clazz_instanceOf (x, JU.A4)) { +if (JU.AU.isAFF (x)) { +var ff = x; +var sb = new JU.SB ().append ("["); +var sep = ""; +for (var i = 0; i < ff.length; i++) { +sb.append (sep).append (JU.Escape.eAF (ff[i])); +sep = ","; +} +sb.append ("]"); +return sb.toString (); +}if (Clazz_instanceOf (x, JU.A4)) { var a = x; return "{" + a.x + " " + a.y + " " + a.z + " " + (a.angle * 180 / 3.141592653589793) + "}"; }if (Clazz_instanceOf (x, JU.Quat)) return (x).toString (); @@ -42170,7 +42369,6 @@ if (this.outputBuffer != null && s != null) this.outputBuffer.append (s).appendC }, "~S"); Clazz_overrideMethod (c$, "setCallbackFunction", function (callbackName, callbackFunction) { -if (callbackName.equalsIgnoreCase ("modelkit")) return; if (callbackName.equalsIgnoreCase ("language")) { this.consoleMessage (""); this.consoleMessage (null); @@ -42701,6 +42899,235 @@ this.value = value; this.next = next; }, "~N,~N,JU.Int2IntHashEntry"); Clazz_declarePackage ("JU"); +Clazz_load (null, "JU.JSJSONParser", ["java.lang.Boolean", "$.Float", "java.util.Hashtable", "JU.JSONException", "$.Lst", "$.SB"], function () { +c$ = Clazz_decorateAsClass (function () { +this.str = null; +this.index = 0; +this.len = 0; +this.asHashTable = false; +Clazz_instantialize (this, arguments); +}, JU, "JSJSONParser"); +Clazz_makeConstructor (c$, +function () { +}); +Clazz_defineMethod (c$, "parseMap", +function (str, asHashTable) { +this.index = 0; +this.asHashTable = asHashTable; +this.str = str; +this.len = str.length; +if (this.getChar () != '{') return null; +this.returnChar (); +return this.getValue (false); +}, "~S,~B"); +Clazz_defineMethod (c$, "parse", +function (str, asHashTable) { +this.index = 0; +this.asHashTable = asHashTable; +this.str = str; +this.len = str.length; +return this.getValue (false); +}, "~S,~B"); +Clazz_defineMethod (c$, "next", + function () { +return (this.index < this.len ? this.str.charAt (this.index++) : '\0'); +}); +Clazz_defineMethod (c$, "returnChar", + function () { +this.index--; +}); +Clazz_defineMethod (c$, "getChar", + function () { +for (; ; ) { +var c = this.next (); +if (c.charCodeAt (0) == 0 || c > ' ') { +return c; +}} +}); +Clazz_defineMethod (c$, "getValue", + function (isKey) { +var i = this.index; +var c = this.getChar (); +switch (c) { +case '\0': +return null; +case '"': +case '\'': +return this.getString (c); +case '{': +if (!isKey) return this.getObject (); +c = String.fromCharCode ( 0); +break; +case '[': +if (!isKey) return this.getArray (); +c = String.fromCharCode ( 0); +break; +default: +this.returnChar (); +while (c >= ' ' && "[,]{:}'\"".indexOf (c) < 0) c = this.next (); + +this.returnChar (); +if (isKey && c != ':') c = String.fromCharCode ( 0); +break; +} +if (isKey && c.charCodeAt (0) == 0) throw new JU.JSONException ("invalid key"); +var string = this.str.substring (i, this.index).trim (); +if (!isKey) { +if (string.equals ("true")) { +return Boolean.TRUE; +}if (string.equals ("false")) { +return Boolean.FALSE; +}if (string.equals ("null")) { +return (this.asHashTable ? string : null); +}}c = string.charAt (0); +if (c >= '0' && c <= '9' || c == '-') try { +if (string.indexOf ('.') < 0 && string.indexOf ('e') < 0 && string.indexOf ('E') < 0) return new Integer (string); +var d = Float.$valueOf (string); +if (!d.isInfinite () && !d.isNaN ()) return d; +} catch (e) { +if (Clazz_exceptionOf (e, Exception)) { +} else { +throw e; +} +} +System.out.println ("JSON parser cannot parse " + string); +throw new JU.JSONException ("invalid value"); +}, "~B"); +Clazz_defineMethod (c$, "getString", + function (quote) { +var c; +var sb = null; +var i0 = this.index; +for (; ; ) { +var i1 = this.index; +switch (c = this.next ()) { +case '\0': +case '\n': +case '\r': +throw this.syntaxError ("Unterminated string"); +case '\\': +switch (c = this.next ()) { +case '"': +case '\'': +case '\\': +case '/': +break; +case 'b': +c = '\b'; +break; +case 't': +c = '\t'; +break; +case 'n': +c = '\n'; +break; +case 'f': +c = '\f'; +break; +case 'r': +c = '\r'; +break; +case 'u': +var i = this.index; +this.index += 4; +try { +c = String.fromCharCode (Integer.parseInt (this.str.substring (i, this.index), 16)); +} catch (e) { +if (Clazz_exceptionOf (e, Exception)) { +throw this.syntaxError ("Substring bounds error"); +} else { +throw e; +} +} +break; +default: +throw this.syntaxError ("Illegal escape."); +} +break; +default: +if (c == quote) return (sb == null ? this.str.substring (i0, i1) : sb.toString ()); +break; +} +if (this.index > i1 + 1) { +if (sb == null) { +sb = new JU.SB (); +sb.append (this.str.substring (i0, i1)); +}}if (sb != null) sb.appendC (c); +} +}, "~S"); +Clazz_defineMethod (c$, "getObject", + function () { +var map = (this.asHashTable ? new java.util.Hashtable () : new java.util.HashMap ()); +var key = null; +switch (this.getChar ()) { +case '}': +return map; +case 0: +throw new JU.JSONException ("invalid object"); +} +this.returnChar (); +var isKey = false; +for (; ; ) { +if ((isKey = !isKey) == true) key = this.getValue (true).toString (); + else map.put (key, this.getValue (false)); +switch (this.getChar ()) { +case '}': +return map; +case ':': +if (isKey) continue; +isKey = true; +case ',': +if (!isKey) continue; +default: +throw this.syntaxError ("Expected ',' or ':' or '}'"); +} +} +}); +Clazz_defineMethod (c$, "getArray", + function () { +var l = new JU.Lst (); +switch (this.getChar ()) { +case ']': +return l; +case '\0': +throw new JU.JSONException ("invalid array"); +} +this.returnChar (); +var isNull = false; +for (; ; ) { +if (isNull) { +l.addLast (null); +isNull = false; +} else { +l.addLast (this.getValue (false)); +}switch (this.getChar ()) { +case ',': +switch (this.getChar ()) { +case ']': +return l; +case ',': +isNull = true; +default: +this.returnChar (); +} +continue; +case ']': +return l; +default: +throw this.syntaxError ("Expected ',' or ']'"); +} +} +}); +Clazz_defineMethod (c$, "syntaxError", +function (message) { +return new JU.JSONException (message + " for " + this.str.substring (0, Math.min (this.index, this.len))); +}, "~S"); +}); +Clazz_declarePackage ("JU"); +Clazz_load (["java.lang.RuntimeException"], "JU.JSONException", null, function () { +c$ = Clazz_declareType (JU, "JSONException", RuntimeException); +}); +Clazz_declarePackage ("JU"); Clazz_declareInterface (JU, "SimpleNode"); Clazz_declarePackage ("JU"); Clazz_declareInterface (JU, "SimpleEdge"); @@ -42723,10 +43150,18 @@ return JU.Edge.argbsHbondType[argbIndex]; c$.getBondOrderNumberFromOrder = Clazz_defineMethod (c$, "getBondOrderNumberFromOrder", function (order) { order &= -131073; -if (order == 131071 || order == 65535) return "0"; -if (JU.Edge.isOrderH (order) || JU.Edge.isAtropism (order) || (order & 256) != 0) return JU.Edge.EnumBondOrder.SINGLE.number; +switch (order) { +case 131071: +case 65535: +return "0"; +case 1025: +case 1041: +return "1"; +default: +if (JU.Edge.isOrderH (order) || JU.Edge.isAtropism (order) || (order & 256) != 0) return "1"; if ((order & 224) != 0) return (order >> 5) + "." + (order & 0x1F); return JU.Edge.EnumBondOrder.getNumberFromCode (order); +} }, "~N"); c$.getCmlBondOrder = Clazz_defineMethod (c$, "getCmlBondOrder", function (order) { @@ -42753,6 +43188,10 @@ switch (order) { case 65535: case 131071: return ""; +case 1025: +return "near"; +case 1041: +return "far"; case 32768: return JU.Edge.EnumBondOrder.STRUT.$$name; case 1: @@ -42770,7 +43209,7 @@ return JU.Edge.EnumBondOrder.getNameFromCode (order); }, "~N"); c$.getAtropismOrder = Clazz_defineMethod (c$, "getAtropismOrder", function (nn, mm) { -return JU.Edge.getAtropismOrder12 (((nn + 1) << 2) + mm + 1); +return JU.Edge.getAtropismOrder12 (((nn) << 2) + mm); }, "~N,~N"); c$.getAtropismOrder12 = Clazz_defineMethod (c$, "getAtropismOrder12", function (nnmm) { @@ -42782,7 +43221,7 @@ return (order >> (11)) & 0xF; }, "~N"); c$.getAtropismNode = Clazz_defineMethod (c$, "getAtropismNode", function (order, a1, isFirst) { -var i1 = (order >> (11 + (isFirst ? 2 : 0))) & 3; +var i1 = (order >> (11 + (isFirst ? 0 : 2))) & 3; return a1.getEdges ()[i1 - 1].getOtherNode (a1); }, "~N,JU.Node,~B"); c$.isAtropism = Clazz_defineMethod (c$, "isAtropism", @@ -42848,6 +43287,10 @@ throw e; } return order; }, "~S"); +Clazz_overrideMethod (c$, "getBondType", +function () { +return this.order; +}); Clazz_defineMethod (c$, "setCIPChirality", function (c) { }, "~N"); @@ -42966,6 +43409,7 @@ this.elementNumberMax = 0; this.altElementMax = 0; this.mf = null; this.atomList = null; +this.atNos = null; Clazz_instantialize (this, arguments); }, JU, "JmolMolecule"); Clazz_prepareFields (c$, function () { @@ -42985,10 +43429,11 @@ var moleculeCount = 0; var molecules = new Array (4); if (bsExclude == null) bsExclude = new JU.BS (); for (var i = 0; i < atoms.length; i++) if (!bsExclude.get (i) && !bsBranch.get (i)) { -if (atoms[i].isDeleted ()) { +var a = atoms[i]; +if (a == null || a.isDeleted ()) { bsExclude.set (i); continue; -}var modelIndex = atoms[i].getModelIndex (); +}var modelIndex = a.getModelIndex (); if (modelIndex != thisModelIndex) { thisModelIndex = modelIndex; indexInModel = 0; @@ -43022,19 +43467,28 @@ return m.getMolecularFormula (false, wts, isEmpirical); }, "~A,JU.BS,~A,~B"); Clazz_defineMethod (c$, "getMolecularFormula", function (includeMissingHydrogens, wts, isEmpirical) { +return this.getMolecularFormulaImpl (includeMissingHydrogens, wts, isEmpirical); +}, "~B,~A,~B"); +Clazz_defineMethod (c$, "getMolecularFormulaImpl", +function (includeMissingHydrogens, wts, isEmpirical) { if (this.mf != null) return this.mf; if (this.atomList == null) { this.atomList = new JU.BS (); -this.atomList.setBits (0, this.nodes.length); +this.atomList.setBits (0, this.atNos == null ? this.nodes.length : this.atNos.length); }this.elementCounts = Clazz_newIntArray (JU.Elements.elementNumberMax, 0); this.altElementCounts = Clazz_newIntArray (JU.Elements.altElementMax, 0); this.ac = this.atomList.cardinality (); this.nElements = 0; for (var p = 0, i = this.atomList.nextSetBit (0); i >= 0; i = this.atomList.nextSetBit (i + 1), p++) { -var node = this.nodes[i]; +var n; +var node = null; +if (this.atNos == null) { +node = this.nodes[i]; if (node == null) continue; -var n = node.getAtomicAndIsotopeNumber (); -var f = (wts == null ? 1 : Clazz_floatToInt (8 * wts[p])); +n = node.getAtomicAndIsotopeNumber (); +} else { +n = this.atNos[i]; +}var f = (wts == null ? 1 : Clazz_floatToInt (8 * wts[p])); if (n < JU.Elements.elementNumberMax) { if (this.elementCounts[n] == 0) this.nElements++; this.elementCounts[n] += f; @@ -44828,14 +45282,10 @@ c$.setOabc = Clazz_defineMethod (c$, "setOabc", function (abcabg, params, ucnew) { if (abcabg != null) { if (params == null) params = Clazz_newFloatArray (6, 0); -if (abcabg.indexOf ("=") >= 0) { -var tokens = JU.PT.split (abcabg.$replace (",", " "), "="); -if (tokens.length == 7) { -for (var i = 0; i < 6; i++) if (Float.isNaN (params[i] = JU.PT.parseFloat (tokens[i + 1]))) return null; +var tokens = JU.PT.split (abcabg.$replace (',', '='), "="); +if (tokens.length >= 12) for (var i = 0; i < 6; i++) params[i] = JU.PT.parseFloat (tokens[i * 2 + 1]); -} else { -return null; -}}}if (ucnew == null) return null; +}if (ucnew == null) return null; var f = JU.SimpleUnitCell.newA (params).getUnitCellAsArray (true); ucnew[1].set (f[0], f[1], f[2]); ucnew[2].set (f[3], f[4], f[5]); @@ -44863,6 +45313,10 @@ minXYZ.z = 0; maxXYZ.z = 1; } }, "~N,JU.P3i,JU.P3i,~N"); +Clazz_overrideMethod (c$, "toString", +function () { +return "[" + this.a + " " + this.b + " " + this.c + " " + this.alpha + " " + this.beta + " " + this.gamma + "]"; +}); Clazz_defineStatics (c$, "toRadians", 0.017453292, "INFO_DIMENSIONS", 6, @@ -45746,7 +46200,7 @@ break; } if (isBound) { this.dragAtomIndex = this.vwr.findNearestAtomIndexMovable (x, y, true); -if (this.dragAtomIndex >= 0 && (this.apm == 32 || this.apm == 31) && this.vwr.ms.isAtomInLastModel (this.dragAtomIndex)) { +if (this.dragAtomIndex >= 0 && (this.apm == 32 || this.apm == 31)) { if (this.bondPickingMode == 34) { this.vwr.setModelkitProperty ("bondAtomIndex", Integer.$valueOf (this.dragAtomIndex)); }this.enterMeasurementMode (this.dragAtomIndex); @@ -46946,6 +47400,14 @@ throw e; } } }, "~N"); +Clazz_defineMethod (c$, "getUnitCellAtomIndex", +function () { +return this.cai; +}); +Clazz_defineMethod (c$, "setUnitCellAtomIndex", +function (iAtom) { +this.cai = iAtom; +}, "~N"); Clazz_defineMethod (c$, "setViewer", function (clearBackgroundModel) { this.vwr.ms.setTrajectory (this.cmi); @@ -47618,7 +48080,7 @@ return (c.currentPalette == 2147483647 ? null : c); }, "~S"); }); Clazz_declarePackage ("JV"); -Clazz_load (["javajs.api.BytePoster", "java.util.Hashtable"], "JV.FileManager", ["java.io.BufferedInputStream", "$.BufferedReader", "java.lang.Boolean", "java.net.URL", "$.URLEncoder", "java.util.Map", "JU.AU", "$.BArray", "$.Base64", "$.LimitedLineReader", "$.Lst", "$.OC", "$.PT", "$.Rdr", "$.SB", "J.api.Interface", "J.io.FileReader", "JS.SV", "JU.Logger", "JV.JC", "$.JmolAsyncException", "$.Viewer"], function () { +Clazz_load (["javajs.api.BytePoster", "java.util.Hashtable"], "JV.FileManager", ["java.io.BufferedInputStream", "$.BufferedReader", "java.lang.Boolean", "java.net.URL", "$.URLEncoder", "java.util.Map", "JU.AU", "$.BArray", "$.Base64", "$.LimitedLineReader", "$.Lst", "$.OC", "$.PT", "$.Rdr", "$.SB", "J.api.Interface", "J.io.FileReader", "JS.SV", "JU.Escape", "$.Logger", "JV.JC", "$.JmolAsyncException", "$.Viewer"], function () { c$ = Clazz_decorateAsClass (function () { this.vwr = null; this.spartanDoc = null; @@ -47752,7 +48214,6 @@ var fileTypes = new Array (fileNames.length); for (var i = 0; i < fileNames.length; i++) { var pt = fileNames[i].indexOf ("::"); var nameAsGiven = (pt >= 0 ? fileNames[i].substring (pt + 2) : fileNames[i]); -System.out.println (i + " FM " + nameAsGiven); var fileType = (pt >= 0 ? fileNames[i].substring (0, pt) : null); var names = this.getClassifiedName (nameAsGiven, true); if (names.length == 1) return names[0]; @@ -47940,19 +48401,6 @@ throw e; } } }, "~S"); -Clazz_defineMethod (c$, "getEmbeddedFileState", -function (fileName, allowCached, sptName) { -var dir = this.getZipDirectory (fileName, false, allowCached); -if (dir.length == 0) { -var state = this.vwr.getFileAsString4 (fileName, -1, false, true, false, "file"); -return (state.indexOf ("**** Jmol Embedded Script ****") < 0 ? "" : JV.FileManager.getEmbeddedScript (state)); -}for (var i = 0; i < dir.length; i++) if (dir[i].indexOf (sptName) >= 0) { -var data = Clazz_newArray (-1, [fileName + "|" + dir[i], null]); -this.getFileDataAsString (data, -1, false, false, false); -return data[1]; -} -return ""; -}, "~S,~B,~S"); Clazz_defineMethod (c$, "getFullPathNameOrError", function (filename, getStream, ret) { var names = this.getClassifiedName (JV.JC.fixProtocol (filename), true); @@ -48002,7 +48450,10 @@ if (Clazz_instanceOf (t, String) || Clazz_instanceOf (t, java.io.BufferedReader) var bis = t; if (JU.Rdr.isGzipS (bis)) bis = JU.Rdr.getUnzippedInputStream (this.vwr.getJzt (), bis); else if (JU.Rdr.isBZip2S (bis)) bis = JU.Rdr.getUnzippedInputStreamBZip2 (this.vwr.getJzt (), bis); -if (forceInputStream && subFileList == null) return bis; +if (JU.Rdr.isTar (bis)) { +var o = this.vwr.getJzt ().getZipFileDirectory (bis, subFileList, 1, forceInputStream); +return (Clazz_instanceOf (o, String) ? JU.Rdr.getBR (o) : o); +}if (forceInputStream && subFileList == null) return bis; if (JU.Rdr.isCompoundDocumentS (bis)) { var doc = J.api.Interface.getInterface ("JU.CompoundDocument", this.vwr, "file"); doc.setDocStream (this.vwr.getJzt (), bis); @@ -48036,13 +48487,13 @@ var subFileList = null; if (name.indexOf ("|") >= 0) { subFileList = JU.PT.split (name, "|"); name = subFileList[0]; -}var bytes = (subFileList == null ? null : this.getPngjOrDroppedBytes (fullName, name)); +}var bytes = (subFileList != null ? null : this.getPngjOrDroppedBytes (fullName, name)); if (bytes == null) { var t = this.getBufferedInputStreamOrErrorMessageFromName (name, fullName, false, false, null, false, true); if (Clazz_instanceOf (t, String)) return "Error:" + t; try { var bis = t; -bytes = (out != null || subFileList == null || subFileList.length <= 1 || !JU.Rdr.isZipS (bis) && !JU.Rdr.isPngZipStream (bis) ? JU.Rdr.getStreamAsBytes (bis, out) : this.vwr.getJzt ().getZipFileContentsAsBytes (bis, subFileList, 1)); +bytes = (out != null || subFileList == null || subFileList.length <= 1 || !JU.Rdr.isZipS (bis) && !JU.Rdr.isPngZipStream (bis) && !JU.Rdr.isTar (bis) ? JU.Rdr.getStreamAsBytes (bis, out) : this.vwr.getJzt ().getZipFileContentsAsBytes (bis, subFileList, 1)); bis.close (); } catch (ioe) { if (Clazz_exceptionOf (ioe, Exception)) { @@ -48137,12 +48588,12 @@ bytes = (nameOrBytes).data; } else if (echoName == null || Clazz_instanceOf (nameOrBytes, String)) { var names = this.getClassifiedName (nameOrBytes, true); nameOrError = (names == null ? "cannot read file name: " + nameOrBytes : JV.FileManager.fixDOSName (names[0])); -if (names != null) image = this.getJzu ().getImage (this.vwr, nameOrError, echoName, forceSync); +if (names != null) image = this.getImage (nameOrError, echoName, forceSync); isAsynchronous = (image == null); } else { image = nameOrBytes; }if (bytes != null) { -image = this.getJzu ().getImage (this.vwr, bytes, echoName, true); +image = this.getImage (bytes, echoName, true); isAsynchronous = false; }if (Clazz_instanceOf (image, String)) { nameOrError = image; @@ -48151,6 +48602,10 @@ image = null; if (!JV.Viewer.isJS || isPopupImage && nameOrError == null || !isPopupImage && image != null) return this.vwr.loadImageData (image, nameOrError, echoName, null); return isAsynchronous; }, "~O,~S,~B"); +Clazz_defineMethod (c$, "getImage", +function (nameOrBytes, echoName, forceSync) { +return this.getJzu ().getImage (this.vwr, nameOrBytes, echoName, forceSync); +}, "~O,~S,~B"); Clazz_defineMethod (c$, "getClassifiedName", function (name, isFullLoad) { if (name == null) return Clazz_newArray (-1, [null]); @@ -48203,8 +48658,9 @@ names[1] = JV.FileManager.stripPath (names[0]); var name0 = names[0]; names[0] = this.pathForAllFiles + names[1]; JU.Logger.info ("FileManager substituting " + name0 + " --> " + names[0]); -}if (isFullLoad && (file != null || JU.OC.urlTypeIndex (names[0]) == 5)) { -var path = (file == null ? JU.PT.trim (names[0].substring (5), "/") : names[0]); +}if (isFullLoad && JU.OC.isLocal (names[0])) { +var path = names[0]; +if (file == null) path = JU.PT.trim (names[0].substring (names[0].indexOf (":") + 1), "/"); var pt = path.length - names[1].length - 1; if (pt > 0) { path = path.substring (0, pt); @@ -48299,28 +48755,10 @@ function (name) { var pt = Math.max (name.lastIndexOf ("|"), name.lastIndexOf ("/")); return name.substring (pt + 1); }, "~S"); -c$.determineSurfaceTypeIs = Clazz_defineMethod (c$, "determineSurfaceTypeIs", -function (is) { -var br; -try { -br = JU.Rdr.getBufferedReader ( new java.io.BufferedInputStream (is), "ISO-8859-1"); -} catch (e) { -if (Clazz_exceptionOf (e, java.io.IOException)) { -return null; -} else { -throw e; -} -} -return JV.FileManager.determineSurfaceFileType (br); -}, "java.io.InputStream"); c$.isScriptType = Clazz_defineMethod (c$, "isScriptType", function (fname) { return JU.PT.isOneOf (fname.toLowerCase ().substring (fname.lastIndexOf (".") + 1), ";pse;spt;png;pngj;jmol;zip;"); }, "~S"); -c$.isSurfaceType = Clazz_defineMethod (c$, "isSurfaceType", -function (fname) { -return JU.PT.isOneOf (fname.toLowerCase ().substring (fname.lastIndexOf (".") + 1), ";jvxl;kin;o;msms;map;pmesh;mrc;efvet;cube;obj;dssr;bcif;"); -}, "~S"); c$.determineSurfaceFileType = Clazz_defineMethod (c$, "determineSurfaceFileType", function (bufferedReader) { var line = null; @@ -48425,31 +48863,21 @@ for (var i = s.length; --i >= 0; ) if (s[i].indexOf (".spt") >= 0) return "|" + }return null; }, "~S"); -c$.getEmbeddedScript = Clazz_defineMethod (c$, "getEmbeddedScript", -function (script) { -if (script == null) return script; -var pt = script.indexOf ("**** Jmol Embedded Script ****"); -if (pt < 0) return script; -var pt1 = script.lastIndexOf ("/*", pt); -var pt2 = script.indexOf ((script.charAt (pt1 + 2) == '*' ? "*" : "") + "*/", pt); -if (pt1 >= 0 && pt2 >= pt) script = script.substring (pt + "**** Jmol Embedded Script ****".length, pt2) + "\n"; -while ((pt1 = script.indexOf (" #Jmol...\u0000")) >= 0) script = script.substring (0, pt1) + script.substring (pt1 + " #Jmol...\u0000".length + 4); - -if (JU.Logger.debugging) JU.Logger.debug (script); -return script; -}, "~S"); c$.getFileReferences = Clazz_defineMethod (c$, "getFileReferences", -function (script, fileList) { +function (script, fileList, fileListUTF) { for (var ipt = 0; ipt < JV.FileManager.scriptFilePrefixes.length; ipt++) { var tag = JV.FileManager.scriptFilePrefixes[ipt]; var i = -1; while ((i = script.indexOf (tag, i + 1)) >= 0) { -var s = JU.PT.getQuotedStringAt (script, i); -if (s.indexOf ("::") >= 0) s = JU.PT.split (s, "::")[1]; +var s = JV.FileManager.stripTypePrefix (JU.PT.getQuotedStringAt (script, i)); +if (s.indexOf ("\\u") >= 0) s = JU.Escape.unescapeUnicode (s); fileList.addLast (s); +if (fileListUTF != null) { +if (s.indexOf ("\\u") >= 0) s = JU.Escape.unescapeUnicode (s); +fileListUTF.addLast (s); +}} } -} -}, "~S,JU.Lst"); +}, "~S,JU.Lst,JU.Lst"); c$.setScriptFileReferences = Clazz_defineMethod (c$, "setScriptFileReferences", function (script, localPath, remotePath, scriptPath) { if (localPath != null) script = JV.FileManager.setScriptFileRefs (script, localPath, true); @@ -48469,7 +48897,7 @@ c$.setScriptFileRefs = Clazz_defineMethod (c$, "setScriptFileRefs", if (dataPath == null) return script; var noPath = (dataPath.length == 0); var fileNames = new JU.Lst (); -JV.FileManager.getFileReferences (script, fileNames); +JV.FileManager.getFileReferences (script, fileNames, null); var oldFileNames = new JU.Lst (); var newFileNames = new JU.Lst (); var nFiles = fileNames.size (); @@ -48588,6 +49016,49 @@ throw e; } return (ret == null ? "" : JU.Rdr.fixUTF (ret)); }, "~S,~A"); +c$.isJmolType = Clazz_defineMethod (c$, "isJmolType", +function (type) { +return (type.equals ("PNG") || type.equals ("PNGJ") || type.equals ("JMOL") || type.equals ("ZIP") || type.equals ("ZIPALL")); +}, "~S"); +c$.isEmbeddable = Clazz_defineMethod (c$, "isEmbeddable", +function (type) { +var pt = type.lastIndexOf ('.'); +if (pt >= 0) type = type.substring (pt + 1); +type = type.toUpperCase (); +return (JV.FileManager.isJmolType (type) || JU.PT.isOneOf (type, ";JPG;JPEG;POV;IDTF;")); +}, "~S"); +Clazz_defineMethod (c$, "getEmbeddedFileState", +function (fileName, allowCached, sptName) { +if (!JV.FileManager.isEmbeddable (fileName)) return ""; +var dir = this.getZipDirectory (fileName, false, allowCached); +if (dir.length == 0) { +var state = this.vwr.getFileAsString4 (fileName, -1, false, true, false, "file"); +return (state.indexOf ("**** Jmol Embedded Script ****") < 0 ? "" : JV.FileManager.getEmbeddedScript (state)); +}for (var i = 0; i < dir.length; i++) if (dir[i].indexOf (sptName) >= 0) { +var data = Clazz_newArray (-1, [fileName + "|" + dir[i], null]); +this.getFileDataAsString (data, -1, false, false, false); +return data[1]; +} +return ""; +}, "~S,~B,~S"); +c$.stripTypePrefix = Clazz_defineMethod (c$, "stripTypePrefix", +function (fileName) { +var pt = fileName.indexOf ("::"); +return (pt < 0 || pt >= 20 ? fileName : fileName.substring (pt + 2)); +}, "~S"); +c$.getEmbeddedScript = Clazz_defineMethod (c$, "getEmbeddedScript", +function (s) { +if (s == null) return s; +var pt = s.indexOf ("**** Jmol Embedded Script ****"); +if (pt < 0) return s; +var pt1 = s.lastIndexOf ("/*", pt); +var pt2 = s.indexOf ((s.charAt (pt1 + 2) == '*' ? "*" : "") + "*/", pt); +if (pt1 >= 0 && pt2 >= pt) s = s.substring (pt + "**** Jmol Embedded Script ****".length, pt2) + "\n"; +while ((pt1 = s.indexOf (" #Jmol...\u0000")) >= 0) s = s.substring (0, pt1) + s.substring (pt1 + " #Jmol...\u0000".length + 4); + +if (JU.Logger.debugging) JU.Logger.debug (s); +return s; +}, "~S"); Clazz_defineStatics (c$, "SIMULATION_PROTOCOL", "http://SIMULATION/", "DELPHI_BINARY_MAGIC_NUMBER", "\24\0\0\0", @@ -48635,6 +49106,8 @@ this.smilesUrlFormat = null; this.nihResolverFormat = null; this.pubChemFormat = null; this.macroDirectory = null; +this.resolverResolver = null; +this.checkCIR = false; this.minBondDistance = 0.4; this.minPixelSelRadius = 6; this.pdbAddHydrogens = false; @@ -48652,7 +49125,7 @@ this.jmolInJSpecView = true; this.modulateOccupancy = true; this.allowRotateSelected = false; this.allowMoveAtoms = false; -this.solventOn = false; +this.dotSolvent = false; this.defaultAngleLabel = "%VALUE %UNITS"; this.defaultDistanceLabel = "%VALUE %UNITS"; this.defaultTorsionLabel = "%VALUE %UNITS"; @@ -48690,7 +49163,8 @@ this.partialDots = false; this.bondModeOr = false; this.hbondsBackbone = false; this.hbondsAngleMinimum = 90; -this.hbondsDistanceMaximum = 3.25; +this.hbondNODistanceMaximum = 3.25; +this.hbondHXDistanceMaximum = 2.5; this.hbondsRasmol = true; this.hbondsSolid = false; this.modeMultipleBond = 2; @@ -48848,6 +49322,13 @@ this.vwr = vwr; this.htNonbooleanParameterValues = new java.util.Hashtable (); this.htBooleanParameterFlags = new java.util.Hashtable (); this.htPropertyFlagsRemoved = new java.util.Hashtable (); +this.loadFormat = this.pdbLoadFormat = JV.JC.databases.get ("pdb"); +this.pdbLoadLigandFormat = JV.JC.databases.get ("ligand"); +this.nmrUrlFormat = JV.JC.databases.get ("nmr"); +this.nmrPredictFormat = JV.JC.databases.get ("nmrdb"); +this.pubChemFormat = JV.JC.databases.get ("pubchem"); +this.resolverResolver = JV.JC.databases.get ("resolverresolver"); +this.macroDirectory = "https://chemapps.stolaf.edu/jmol/macros"; if (g != null) { if (!clearUserVariables) { this.setO ("_pngjFile", g.getParameter ("_pngjFile", false)); @@ -48874,14 +49355,9 @@ this.testFlag1 = g.testFlag1; this.testFlag2 = g.testFlag2; this.testFlag3 = g.testFlag3; this.testFlag4 = g.testFlag4; -}this.loadFormat = this.pdbLoadFormat = JV.JC.databases.get ("pdb"); -this.pdbLoadLigandFormat = JV.JC.databases.get ("ligand"); -this.nmrUrlFormat = JV.JC.databases.get ("nmr"); -this.nmrPredictFormat = JV.JC.databases.get ("nmrdb"); -this.smilesUrlFormat = JV.JC.databases.get ("nci") + "/file?format=sdf&get3d=true"; -this.nihResolverFormat = JV.JC.databases.get ("nci"); -this.pubChemFormat = JV.JC.databases.get ("pubchem"); -this.macroDirectory = "https://chemapps.stolaf.edu/jmol/macros"; +this.nihResolverFormat = g.nihResolverFormat; +}if (this.nihResolverFormat == null) this.nihResolverFormat = JV.JC.databases.get ("nci"); +this.setCIR (this.nihResolverFormat); for (var item, $item = 0, $$item = J.c.CBK.values (); $item < $$item.length && ((item = $$item[$item]) || true); $item++) this.resetValue (item.name () + "Callback", g); this.setF ("cameraDepth", 3.0); @@ -49032,7 +49508,8 @@ this.setB ("fractionalRelative", this.fractionalRelative); this.setF ("particleRadius", this.particleRadius); this.setB ("greyscaleRendering", this.greyscaleRendering); this.setF ("hbondsAngleMinimum", this.hbondsAngleMinimum); -this.setF ("hbondsDistanceMaximum", this.hbondsDistanceMaximum); +this.setF ("hbondHXDistanceMaximum", this.hbondHXDistanceMaximum); +this.setF ("hbondsDistanceMaximum", this.hbondNODistanceMaximum); this.setB ("hbondsBackbone", this.hbondsBackbone); this.setB ("hbondsRasmol", this.hbondsRasmol); this.setB ("hbondsSolid", this.hbondsSolid); @@ -49127,7 +49604,7 @@ this.setO ("macroDirectory", this.macroDirectory); this.setO ("nihResolverFormat", this.nihResolverFormat); this.setO ("pubChemFormat", this.pubChemFormat); this.setB ("showUnitCellDetails", this.showUnitCellDetails); -this.setB ("solventProbe", this.solventOn); +this.setB ("solventProbe", this.dotSolvent); this.setF ("solventProbeRadius", this.solventProbeRadius); this.setB ("ssbondsBackbone", this.ssbondsBackbone); this.setF ("starWidth", this.starWidth); @@ -49372,14 +49849,23 @@ Clazz_defineMethod (c$, "app", if (cmd.length == 0) return; s.append (" ").append (cmd).append (";\n"); }, "JU.SB,~S"); -c$.unreportedProperties = c$.prototype.unreportedProperties = (";ambientpercent;animationfps;antialiasdisplay;antialiasimages;antialiastranslucent;appendnew;axescolor;axesposition;axesmolecular;axesorientationrasmol;axesunitcell;axeswindow;axis1color;axis2color;axis3color;backgroundcolor;backgroundmodel;bondsymmetryatoms;boundboxcolor;cameradepth;bondingversion;ciprule6full;contextdepthmax;debug;debugscript;defaultlatttice;defaults;defaultdropscript;diffusepercent;;exportdrivers;exportscale;_filecaching;_filecache;fontcaching;fontscaling;forcefield;language;hbondsDistanceMaximum;hbondsangleminimum;jmolinJSV;legacyautobonding;legacyhaddition;legacyjavafloat;loglevel;logfile;loggestures;logcommands;measurestylechime;loadformat;loadligandformat;macrodirectory;mkaddhydrogens;minimizationmaxatoms;smilesurlformat;pubchemformat;nihresolverformat;edsurlformat;edsurlcutoff;multiprocessor;navigationmode;;nodelay;pathforallfiles;perspectivedepth;phongexponent;perspectivemodel;platformspeed;preservestate;refreshing;repaintwaitms;rotationradius;selectallmodels;showaxes;showaxis1;showaxis2;showaxis3;showboundbox;showfrank;showtiming;showunitcell;slabenabled;slab;slabrange;depth;zshade;zshadepower;specular;specularexponent;specularpercent;celshading;celshadingpower;specularpower;stateversion;statusreporting;stereo;stereostate;vibrationperiod;unitcellcolor;visualrange;windowcentered;zerobasedxyzrasmol;zoomenabled;mousedragfactor;mousewheelfactor;scriptqueue;scriptreportinglevel;syncscript;syncmouse;syncstereo;defaultdirectory;currentlocalpath;defaultdirectorylocal;ambient;bonds;colorrasmol;diffuse;fractionalrelative;frank;hetero;hidenotselected;hoverlabel;hydrogen;languagetranslation;measurementunits;navigationdepth;navigationslab;picking;pickingstyle;propertycolorschemeoverload;radius;rgbblue;rgbgreen;rgbred;scaleangstromsperinch;selectionhalos;showscript;showselections;solvent;strandcount;spinx;spiny;spinz;spinfps;navx;navy;navz;navfps;" + J.c.CBK.getNameList () + ";undo;atompicking;drawpicking;bondpicking;pickspinrate;picklabel" + ";modelkitmode;autoplaymovie;allowaudio;allowgestures;allowkeystrokes;allowmultitouch;allowmodelkit" + ";dodrop;hovered;historylevel;imagestate;iskiosk;useminimizationthread" + ";showkeystrokes;saveproteinstructurestate;testflag1;testflag2;testflag3;testflag4" + ";selecthetero;selecthydrogen;" + ";").toLowerCase (); +Clazz_defineMethod (c$, "setCIR", +function (template) { +if (template == null || template.equals (this.nihResolverFormat) && this.smilesUrlFormat != null) return; +var pt = template.indexOf ("/structure"); +if (pt > 0) { +this.nihResolverFormat = template.substring (0, pt + 10); +this.smilesUrlFormat = this.nihResolverFormat + "/%FILE/file?format=sdf&get3d=true"; +System.out.println ("CIR resolver set to " + this.nihResolverFormat); +}}, "~S"); +c$.unreportedProperties = c$.prototype.unreportedProperties = (";ambientpercent;animationfps;antialiasdisplay;antialiasimages;antialiastranslucent;appendnew;axescolor;axesposition;axesmolecular;axesorientationrasmol;axesunitcell;axeswindow;axis1color;axis2color;axis3color;backgroundcolor;backgroundmodel;bondsymmetryatoms;boundboxcolor;cameradepth;bondingversion;ciprule6full;contextdepthmax;debug;debugscript;defaultlatttice;defaults;defaultdropscript;diffusepercent;;exportdrivers;exportscale;_filecaching;_filecache;fontcaching;fontscaling;forcefield;language;hbondsDistanceMaximum;hbondsangleminimum;jmolinJSV;legacyautobonding;legacyhaddition;legacyjavafloat;loglevel;logfile;loggestures;logcommands;measurestylechime;loadformat;loadligandformat;macrodirectory;mkaddhydrogens;minimizationmaxatoms;smilesurlformat;pubchemformat;nihresolverformat;edsurlformat;edsurlcutoff;multiprocessor;navigationmode;;nodelay;pathforallfiles;perspectivedepth;phongexponent;perspectivemodel;platformspeed;preservestate;refreshing;repaintwaitms;rotationradius;selectallmodels;showaxes;showaxis1;showaxis2;showaxis3;showboundbox;showfrank;showtiming;showunitcell;slabenabled;slab;slabrange;depth;zshade;zshadepower;specular;specularexponent;specularpercent;celshading;celshadingpower;specularpower;stateversion;statusreporting;stereo;stereostate;vibrationperiod;unitcellcolor;visualrange;windowcentered;zerobasedxyzrasmol;zoomenabled;mousedragfactor;mousewheelfactor;scriptqueue;scriptreportinglevel;syncscript;syncmouse;syncstereo;defaultdirectory;currentlocalpath;defaultdirectorylocal;ambient;bonds;colorrasmol;diffuse;fractionalrelative;frank;hetero;hidenotselected;hoverlabel;hydrogen;languagetranslation;measurementunits;navigationdepth;navigationslab;picking;pickingstyle;propertycolorschemeoverload;radius;rgbblue;rgbgreen;rgbred;scaleangstromsperinch;selectionhalos;showscript;showselections;solvent;strandcount;spinx;spiny;spinz;spinfps;navx;navy;navz;navfps;" + J.c.CBK.getNameList () + ";undo;atompicking;drawpicking;bondpicking;pickspinrate;picklabel" + ";modelkitmode;autoplaymovie;allowaudio;allowgestures;allowkeystrokes;allowmultitouch;allowmodelkit" + ";dodrop;hovered;historylevel;imagestate;iskiosk;useminimizationthread" + ";checkcir;resolverresolver;showkeystrokes;saveproteinstructurestate;testflag1;testflag2;testflag3;testflag4" + ";selecthetero;selecthydrogen;" + ";").toLowerCase (); }); Clazz_declarePackage ("JV"); -Clazz_load (["java.util.Hashtable", "JU.SB", "$.V3", "JU.Elements"], "JV.JC", ["JU.PT"], function () { +Clazz_load (["java.util.Hashtable", "JU.SB", "$.V3", "JU.Elements"], "JV.JC", ["JU.PT", "JU.Logger"], function () { c$ = Clazz_declareType (JV, "JC"); c$.getNBOTypeFromName = Clazz_defineMethod (c$, "getNBOTypeFromName", function (nboType) { -var pt = ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;;;;;;;PRNBO;RNBO;;".indexOf (";" + nboType + ";"); +var pt = ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;PRNBO;RNBO;;;;;;;;".indexOf (";" + nboType + ";"); return (pt < 0 ? pt : Clazz_doubleToInt (pt / 6) + 31); }, "~S"); c$.getCIPChiralityName = Clazz_defineMethod (c$, "getCIPChiralityName", @@ -49467,25 +49953,9 @@ return (format.indexOf ("%FILE") >= 0 ? JU.PT.rep (format, "%FILE", id) : format }, "~S,~S,~S"); c$.fixProtocol = Clazz_defineMethod (c$, "fixProtocol", function (name) { -if (name == null) return name; -if (name.indexOf ("http://www.rcsb.org/pdb/files/") == 0) { -var isLigand = (name.indexOf ("/ligand/") >= 0); -var id = name.substring (name.lastIndexOf ("/") + 1); -return JV.JC.resolveDataBase (null, id, JV.JC.databases.get (isLigand ? "ligand" : "pdb")); -}return (name.indexOf ("http://www.ebi") == 0 || name.indexOf ("http://pubchem") == 0 || name.indexOf ("http://cactus") == 0 || name.indexOf ("http://www.materialsproject") == 0 ? "https://" + name.substring (7) : name); -}, "~S"); -c$.getMacroList = Clazz_defineMethod (c$, "getMacroList", -function () { -var s = new JU.SB (); -for (var i = 0; i < JV.JC.macros.length; i += 3) s.append (JV.JC.macros[i]).append ("\t").append (JV.JC.macros[i + 1]).append ("\t").append (JV.JC.macros[i + 1]).append ("\n"); - -return s.toString (); -}); -c$.getMacro = Clazz_defineMethod (c$, "getMacro", -function (key) { -for (var i = 0; i < JV.JC.macros.length; i += 3) if (JV.JC.macros[i].equals (key)) return JV.JC.macros[i + 1]; - -return null; +var newname = (name == null ? null : name.indexOf ("http://www.rcsb.org/pdb/files/") == 0 ? JV.JC.resolveDataBase (name.indexOf ("/ligand/") >= 0 ? "ligand" : "pdb", name.substring (name.lastIndexOf ("/") + 1), null) : name.indexOf ("http://www.ebi") == 0 || name.indexOf ("http://pubchem") == 0 || name.indexOf ("http://cactus") == 0 || name.indexOf ("http://www.materialsproject") == 0 ? "https://" + name.substring (7) : name); +if (newname !== name) JU.Logger.info ("JC.fixProtocol " + name + " --> " + newname); +return newname; }, "~S"); c$.embedScript = Clazz_defineMethod (c$, "embedScript", function (s) { @@ -49659,7 +50129,7 @@ if (type.indexOf ("t") > 0) i |= 16; }return i; }, "~S"); Clazz_defineStatics (c$, -"NBO_TYPES", ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;;;;;;;PRNBO;RNBO;;", +"NBO_TYPES", ";AO;;;;PNAO;;NAO;;;PNHO;;NHO;;;PNBO;;NBO;;;PNLMO;NLMO;;MO;;;;NO;;;;;;;;;;PRNBO;RNBO;;;;;;;;", "CIP_CHIRALITY_UNKNOWN", 0, "CIP_CHIRALITY_R_FLAG", 1, "CIP_CHIRALITY_S_FLAG", 2, @@ -49684,7 +50154,8 @@ Clazz_defineStatics (c$, "PDB_ANNOTATIONS", ";dssr;rna3d;dom;val;", "CACTUS_FILE_TYPES", ";alc;cdxml;cerius;charmm;cif;cml;ctx;gjf;gromacs;hyperchem;jme;maestro;mol;mol2;sybyl2;mrv;pdb;sdf;sdf3000;sln;smiles;xyz", "defaultMacroDirectory", "https://chemapps.stolaf.edu/jmol/macros", -"databaseArray", Clazz_newArray (-1, ["aflowbin", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "aflow", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "ams", "'http://rruff.geo.arizona.edu/AMS/viewJmol.php?'+(0+'%file'==0? 'mineral':('%file'.length==7? 'amcsd':'id'))+'=%file&action=showcif#_DOCACHE_'", "dssr", "http://dssr-jmol.x3dna.org/report.php?id=%FILE&opts=--json=ebi", "dssrModel", "http://dssr-jmol.x3dna.org/report.php?POST?opts=--json=ebi&model=", "iucr", "http://scripts.iucr.org/cgi-bin/sendcif_yard?%FILE", "cod", "http://www.crystallography.net/cod/cif/%c1/%c2%c3/%c4%c5/%FILE.cif", "nmr", "http://www.nmrdb.org/new_predictor?POST?molfile=", "nmrdb", "http://www.nmrdb.org/service/predictor?POST?molfile=", "nmrdb13", "http://www.nmrdb.org/service/jsmol13c?POST?molfile=", "magndata", "http://webbdcrista1.ehu.es/magndata/mcif/%FILE.mcif", "rna3d", "http://rna.bgsu.edu/rna3dhub/%TYPE/download/%FILE", "mmtf", "https://mmtf.rcsb.org/v1.0/full/%FILE", "chebi", "https://www.ebi.ac.uk/chebi/saveStructure.do?defaultImage=true&chebiId=%file%2D%", "ligand", "https://files.rcsb.org/ligands/download/%FILE.cif", "mp", "https://www.materialsproject.org/materials/mp-%FILE/cif#_DOCACHE_", "nci", "https://cactus.nci.nih.gov/chemical/structure/%FILE", "pdb", "https://files.rcsb.org/download/%FILE.pdb", "pdb0", "https://files.rcsb.org/download/%FILE.pdb", "pdbe", "https://www.ebi.ac.uk/pdbe/entry-files/download/%FILE.cif", "pdbe2", "https://www.ebi.ac.uk/pdbe/static/entry/%FILE_updated.cif", "pubchem", "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/%FILE/SDF?record_type=3d", "map", "https://www.ebi.ac.uk/pdbe/api/%TYPE/%FILE?pretty=false&metadata=true", "pdbemap", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file.ccp4", "pdbemapdiff", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file_diff.ccp4", "pdbemapserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?space=cartesian&encoding=bcif", "pdbemapdiffserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?space=cartesian&encoding=bcif&diff=1"])); +"databaseArray", Clazz_newArray (-1, ["aflowbin", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "aflow", "http://aflowlib.mems.duke.edu/users/jmolers/binary_new/%FILE.aflow_binary", "ams", "'http://rruff.geo.arizona.edu/AMS/viewJmol.php?'+(0+'%file'==0? 'mineral':('%file'.length==7? 'amcsd':'id'))+'=%file&action=showcif#_DOCACHE_'", "dssr", "http://dssr-jmol.x3dna.org/report.php?id=%FILE&opts=--json=ebi", "dssrModel", "http://dssr-jmol.x3dna.org/report.php?POST?opts=--json=ebi&model=", "iucr", "http://scripts.iucr.org/cgi-bin/sendcif_yard?%FILE", "cod", "http://www.crystallography.net/cod/cif/%c1/%c2%c3/%c4%c5/%FILE.cif", "nmr", "https://www.nmrdb.org/new_predictor?POST?molfile=", "nmrdb", "https://www.nmrdb.org/service/predictor?POST?molfile=", "nmrdb13", "https://www.nmrdb.org/service/jsmol13c?POST?molfile=", "magndata", "http://webbdcrista1.ehu.es/magndata/mcif/%FILE.mcif", "rna3d", "http://rna.bgsu.edu/rna3dhub/%TYPE/download/%FILE", "mmtf", "https://mmtf.rcsb.org/v1.0/full/%FILE", "chebi", "https://www.ebi.ac.uk/chebi/saveStructure.do?defaultImage=true&chebiId=%file%2D%", "ligand", "https://files.rcsb.org/ligands/download/%FILE.cif", "mp", "https://www.materialsproject.org/materials/mp-%FILE/cif#_DOCACHE_", "nci", "https://cactus.nci.nih.gov/chemical/structure", "pdb", "https://files.rcsb.org/download/%FILE.pdb", "pdb0", "https://files.rcsb.org/download/%FILE.pdb", "pdbe", "https://www.ebi.ac.uk/pdbe/entry-files/download/%FILE.cif", "pdbe2", "https://www.ebi.ac.uk/pdbe/static/entry/%FILE_updated.cif", "pubchem", "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/%FILE/SDF?record_type=3d", "map", "https://www.ebi.ac.uk/pdbe/api/%TYPE/%FILE?pretty=false&metadata=true", "pdbemap", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file.ccp4", "pdbemapdiff", "https://www.ebi.ac.uk/pdbe/coordinates/files/%file_diff.ccp4", "pdbemapserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?detail=6&space=cartesian&encoding=bcif", "pdbemapdiffserver", "https://www.ebi.ac.uk/pdbe/densities/x-ray/%file/box/0,0,0/0,0,0?detail=6&space=cartesian&encoding=bcif&diff=1", "emdbmap", "https://www.ebi.ac.uk/pdbe/densities/emd/emd-%file/cell?detail=6&space=cartesian&encoding=bcif", "emdbquery", "https://www.ebi.ac.uk/emdb/api/search/fitted_pdbs:%file?fl=emdb_id,map_contour_level_value&wt=csv", "emdbmapserver", "https://www.ebi.ac.uk/pdbe/densities/emd/emd-%file/box/0,0,0/0,0,0?detail=6&space=cartesian&encoding=bcif", "resolverResolver", "https://chemapps.stolaf.edu/resolver"]), +"legacyResolver", "cactus.nci.nih.gov/chemical/structure"); c$.databases = c$.prototype.databases = new java.util.Hashtable (); { for (var i = 0; i < JV.JC.databaseArray.length; i += 2) JV.JC.databases.put (JV.JC.databaseArray[i].toLowerCase (), JV.JC.databaseArray[i + 1]); @@ -49863,7 +50334,7 @@ Clazz_defineStatics (c$, "GROUPID_ION_MIN", 46, "GROUPID_ION_MAX", 48, "predefinedVariable", Clazz_newArray (-1, ["@_1H _H & !(_2H,_3H)", "@_12C _C & !(_13C,_14C)", "@_14N _N & !(_15N)", "@solvent water, (_g>=45 & _g<48)", "@ligand _g=0|!(_g<46,protein,nucleic,water)", "@turn structure=1", "@sheet structure=2", "@helix structure=3", "@helix310 substructure=7", "@helixalpha substructure=8", "@helixpi substructure=9", "@bulges within(dssr,'bulges')", "@coaxStacks within(dssr,'coaxStacks')", "@hairpins within(dssr,'hairpins')", "@hbonds within(dssr,'hbonds')", "@helices within(dssr,'helices')", "@iloops within(dssr,'iloops')", "@isoCanonPairs within(dssr,'isoCanonPairs')", "@junctions within(dssr,'junctions')", "@kissingLoops within(dssr,'kissingLoops')", "@multiplets within(dssr,'multiplets')", "@nonStack within(dssr,'nonStack')", "@nts within(dssr,'nts')", "@pairs within(dssr,'pairs')", "@ssSegments within(dssr,'ssSegments')", "@stacks within(dssr,'stacks')", "@stems within(dssr,'stems')"]), -"predefinedStatic", Clazz_newArray (-1, ["@amino _g>0 & _g<=23", "@acidic asp,glu", "@basic arg,his,lys", "@charged acidic,basic", "@negative acidic", "@positive basic", "@neutral amino&!(acidic,basic)", "@polar amino&!hydrophobic", "@peptide protein&within(chain,monomer>1)&!within(chain,monomer>12)", "@cyclic his,phe,pro,trp,tyr", "@acyclic amino&!cyclic", "@aliphatic ala,gly,ile,leu,val", "@aromatic his,phe,trp,tyr", "@cystine within(group,(cys,cyx)&atomname=sg&connected((cys,cyx)&atomname=sg))", "@buried ala,cys,ile,leu,met,phe,trp,val", "@surface amino&!buried", "@hydrophobic ala,gly,ile,leu,met,phe,pro,trp,tyr,val", "@mainchain backbone", "@small ala,gly,ser", "@medium asn,asp,cys,pro,thr,val", "@large arg,glu,gln,his,ile,leu,lys,met,phe,trp,tyr", "@c nucleic & ([C] or [DC] or within(group,_a=42))", "@g nucleic & ([G] or [DG] or within(group,_a=43))", "@cg c,g", "@a nucleic & ([A] or [DA] or within(group,_a=44))", "@t nucleic & ([T] or [DT] or within(group,_a=45 | _a=49))", "@at a,t", "@i nucleic & ([I] or [DI] or within(group,_a=46) & !g)", "@u nucleic & ([U] or [DU] or within(group,_a=47) & !t)", "@tu nucleic & within(group,_a=48)", "@ions _g>=46&_g<48", "@alpha _a=2", "@_bb protein&(_a>=1&_a<6|_a=64) | nucleic&(_a>=6&_a<14|_a>=73&&_a<=79||_a==99||_a=100)", "@backbone _bb | _H && connected(single, _bb)", "@spine protein&_a>=1&_a<4|nucleic&(_a>=6&_a<11|_a=13)", "@sidechain (protein,nucleic) & !backbone", "@base nucleic & !backbone", "@dynamic_flatring search('[a]')", "@nonmetal _H,_He,_B,_C,_N,_O,_F,_Ne,_Si,_P,_S,_Cl,_Ar,_As,_Se,_Br,_Kr,_Te,_I,_Xe,_At,_Rn", "@metal !nonmetal", "@alkaliMetal _Li,_Na,_K,_Rb,_Cs,_Fr", "@alkalineEarth _Be,_Mg,_Ca,_Sr,_Ba,_Ra", "@nobleGas _He,_Ne,_Ar,_Kr,_Xe,_Rn", "@metalloid _B,_Si,_Ge,_As,_Sb,_Te", "@transitionMetal elemno>=21&elemno<=30|elemno=57|elemno=89|elemno>=39&elemno<=48|elemno>=72&elemno<=80|elemno>=104&elemno<=112", "@lanthanide elemno>57&elemno<=71", "@actinide elemno>89&elemno<=103"]), +"predefinedStatic", Clazz_newArray (-1, ["@amino _g>0 & _g<=23", "@acidic asp,glu", "@basic arg,his,lys", "@charged acidic,basic", "@negative acidic", "@positive basic", "@neutral amino&!(acidic,basic)", "@polar amino&!hydrophobic", "@peptide protein&within(chain,monomer>1)&!within(chain,monomer>12)", "@cyclic his,phe,pro,trp,tyr", "@acyclic amino&!cyclic", "@aliphatic ala,gly,ile,leu,val", "@aromatic his,phe,trp,tyr", "@cystine within(group,(cys,cyx)&atomname=sg&connected((cys,cyx)&atomname=sg))", "@buried ala,cys,ile,leu,met,phe,trp,val", "@surface amino&!buried", "@hydrophobic ala,gly,ile,leu,met,phe,pro,trp,tyr,val", "@mainchain backbone", "@small ala,gly,ser", "@medium asn,asp,cys,pro,thr,val", "@large arg,glu,gln,his,ile,leu,lys,met,phe,trp,tyr", "@c nucleic & ([C] or [DC] or within(group,_a=42))", "@g nucleic & ([G] or [DG] or within(group,_a=43))", "@cg c,g", "@a nucleic & ([A] or [DA] or within(group,_a=44))", "@t nucleic & ([T] or [DT] or within(group,_a=45 | _a=49))", "@at a,t", "@i nucleic & ([I] or [DI] or within(group,_a=46) & !g)", "@u nucleic & ([U] or [DU] or within(group,_a=47) & !t)", "@tu nucleic & within(group,_a=48)", "@ions _g>=46&_g<48", "@alpha _a=2", "@_bb protein&(_a>=1&_a<6|_a=64) | nucleic&(_a>=6&_a<14|_a>=73&&_a<=79||_a==99||_a=100)", "@backbone _bb | _H && connected(single, _bb)", "@spine protein&_a>=1&_a<4|nucleic&(_a>=6&_a<11|_a=13)", "@sidechain (protein,nucleic) & !backbone", "@base nucleic & !backbone", "@dynamic_flatring search('[a]')", "@nonmetal _H,_He,_B,_C,_N,_O,_F,_Ne,_Si,_P,_S,_Cl,_Ar,_As,_Se,_Br,_Kr,_Te,_I,_Xe,_At,_Rn", "@metal !nonmetal && !_Xx", "@alkaliMetal _Li,_Na,_K,_Rb,_Cs,_Fr", "@alkalineEarth _Be,_Mg,_Ca,_Sr,_Ba,_Ra", "@nobleGas _He,_Ne,_Ar,_Kr,_Xe,_Rn", "@metalloid _B,_Si,_Ge,_As,_Sb,_Te", "@transitionMetal elemno>=21&elemno<=30|elemno=57|elemno=89|elemno>=39&elemno<=48|elemno>=72&elemno<=80|elemno>=104&elemno<=112", "@lanthanide elemno>57&elemno<=71", "@actinide elemno>89&elemno<=103"]), "MODELKIT_ZAP_STRING", "5\n\nC 0 0 0\nH .63 .63 .63\nH -.63 -.63 .63\nH -.63 .63 -.63\nH .63 -.63 -.63", "MODELKIT_ZAP_TITLE", "Jmol Model Kit", "ZAP_TITLE", "zapped", @@ -49985,8 +50456,9 @@ c$.IMAGE_OR_SCENE = c$.prototype.IMAGE_OR_SCENE = ";jpg;jpeg;jpg64;jpeg64;gif;gi "SMILES_AROMATIC_MMFF94", 0x300, "SMILES_AROMATIC_PLANAR", 0x400, "SMILES_IGNORE_ATOM_CLASS", 0x800, -"SMILES_GEN_EXPLICIT_H", 0x00001000, -"SMILES_GEN_TOPOLOGY", 0x00002000, +"SMILES_GEN_EXPLICIT_H_ALL", 0x00001000, +"SMILES_GEN_EXPLICIT_H2_ONLY", 0x00002000, +"SMILES_GEN_TOPOLOGY", 0x00004000, "SMILES_GEN_POLYHEDRAL", 0x00010000, "SMILES_GEN_ATOM_COMMENT", 0x00020000, "SMILES_GEN_BIO", 0x00100000, @@ -49996,6 +50468,7 @@ c$.IMAGE_OR_SCENE = c$.prototype.IMAGE_OR_SCENE = ";jpg;jpeg;jpg64;jpeg64;gif;gi "SMILES_GEN_BIO_COMMENT", 0x01100000, "SMILES_GEN_BIO_NOCOMMENTS", 0x02100000, "SMILES_GROUP_BY_MODEL", 0x04000000, +"SMILES_2D", 0x08000000, "JSV_NOT", -1, "JSV_SEND_JDXMOL", 0, "JSV_SETPEAKS", 7, @@ -50431,7 +50904,9 @@ Clazz_defineMethod (c$, "getShapeIdFromObjectName", function (objectName) { if (this.shapes != null) for (var i = 16; i < 30; ++i) if (this.shapes[i] != null && this.shapes[i].getIndexFromName (objectName) >= 0) return i; -return -1; +if (this.shapes[6] != null && this.shapes[6].getIndexFromName (objectName) >= 0) { +return 6; +}return -1; }, "~S"); Clazz_defineMethod (c$, "loadDefaultShapes", function (newModelSet) { @@ -50601,7 +51076,7 @@ this.ms.clearVisibleSets (); if (atoms.length > 0) { for (var i = this.ms.ac; --i >= 0; ) { var atom = atoms[i]; -atom.shapeVisibilityFlags &= -64; +if (atom != null) atom.shapeVisibilityFlags &= -64; if (bsDeleted != null && bsDeleted.get (i)) continue; if (bs.get (atom.mi)) { var f = 1; @@ -51309,6 +51784,13 @@ var name = this.vwr.getP ("_smilesString"); if (name.length != 0) fileName = name; this.cbl.notifyCallback (J.c.CBK.LOADSTRUCT, Clazz_newArray (-1, [sJmol, fullPathName, fileName, modelName, errorMsg, Integer.$valueOf (ptLoad), this.vwr.getP ("_modelNumber"), this.vwr.getModelNumberDotted (this.vwr.ms.mc - 1), isAsync])); }}, "~S,~S,~S,~S,~N,~B,Boolean"); +Clazz_defineMethod (c$, "setStatusModelKit", +function (istate) { +var state = (istate == 1 ? "ON" : "OFF"); +this.setStatusChanged ("modelkit", istate, state, false); +var sJmol = this.jmolScriptCallback (J.c.CBK.MODELKIT); +if (this.notifyEnabled (J.c.CBK.MODELKIT)) this.cbl.notifyCallback (J.c.CBK.MODELKIT, Clazz_newArray (-1, [sJmol, state])); +}, "~N"); Clazz_defineMethod (c$, "setStatusFrameChanged", function (fileNo, modelNo, firstNo, lastNo, currentFrame, currentMorphModel, entryName) { if (this.vwr.ms == null) return; @@ -53467,6 +53949,17 @@ this.errorMessage = null; this.errorMessageUntranslated = null; this.privateKey = 0; this.dataOnly = false; +this.maximumSize = 2147483647; +this.gRight = null; +this.isStereoSlave = false; +this.imageFontScaling = 1; +this.antialiased = false; +this.prevFrame = -2147483648; +this.prevMorphModel = 0; +this.haveJDX = false; +this.jsv = null; +this.outputManager = null; +this.jzt = null; this.isPreviewOnly = false; this.headless = false; this.movableBitSet = null; @@ -53483,23 +53976,15 @@ this.motionEventNumber = 0; this.inMotion = false; this.refreshing = true; this.axesAreTainted = false; -this.maximumSize = 2147483647; -this.gRight = null; -this.isStereoSlave = false; -this.imageFontScaling = 1; this.captureParams = null; this.jsParams = null; -this.antialiased = false; +this.cirChecked = false; this.hoverAtomIndex = -1; this.hoverText = null; this.hoverLabel = "%U"; this.hoverEnabled = true; this.currentCursor = 0; this.ptTemp = null; -this.prevFrame = -2147483648; -this.prevMorphModel = 0; -this.haveJDX = false; -this.jsv = null; this.selectionHalosEnabled = false; this.frankOn = true; this.noFrankEcho = true; @@ -53515,7 +54000,6 @@ this.movingSelected = false; this.showSelected = false; this.atomHighlighted = -1; this.creatingImage = false; -this.outputManager = null; this.bsUserVdws = null; this.userVdws = null; this.userVdwMars = null; @@ -53531,13 +54015,13 @@ this.timeouts = null; this.chainCaseSpecified = false; this.nmrCalculation = null; this.logFileName = null; -this.jzt = null; this.jbr = null; this.jcm = null; this.jsonParser = null; this.triangulator = null; this.nboParser = null; this.macros = null; +this.consoleFontScale = 1; Clazz_instantialize (this, arguments); }, JV, "Viewer", J.api.JmolViewer, [J.atomdata.AtomDataServer, J.api.PlatformViewer]); Clazz_defineMethod (c$, "finalize", @@ -53650,16 +54134,14 @@ var applet = null; var jmol = null; var javaver = "?"; { -if(self.Jmol) { -jmol = Jmol; -applet = +if(self.Jmol) { jmol = Jmol; applet = Jmol._applets[this.htmlName.split("_object")[0]]; javaver = Jmol._version; } }if (javaver != null) { this.html5Applet = applet; JV.Viewer.jmolObject = jmol; JV.Viewer.strJavaVersion = javaver; -JV.Viewer.strJavaVendor = "Java2Script " + ((this, JV.Viewer).isWebGL ? "(WebGL)" : "(HTML5)"); +JV.Viewer.strJavaVendor = "Java2Script " + (JV.Viewer.isWebGL ? "(WebGL)" : "(HTML5)"); }o = J.api.Interface.getInterface (platform, this, "setOptions"); }this.apiPlatform = o; this.display = info.get ("display"); @@ -53751,14 +54233,482 @@ this.setStartupBooleans (); this.setIntProperty ("_nProcessors", JV.Viewer.nProcessors); if (!this.isSilent) { JU.Logger.info ("(C) 2015 Jmol Development" + "\nJmol Version: " + JV.Viewer.getJmolVersion () + "\njava.vendor: " + JV.Viewer.strJavaVendor + "\njava.version: " + JV.Viewer.strJavaVersion + "\nos.name: " + JV.Viewer.strOSName + "\nAccess: " + this.access + "\nmemory: " + this.getP ("_memory") + "\nprocessors available: " + JV.Viewer.nProcessors + "\nuseCommandThread: " + this.useCommandThread + (!this.isApplet ? "" : "\nappletId:" + this.htmlName + (this.isSignedApplet ? " (signed)" : ""))); -}if (this.allowScripting) this.getScriptManager (); -this.zap (false, true, false); +}this.zap (false, true, false); this.g.setO ("language", J.i18n.GT.getLanguage ()); this.g.setO ("_hoverLabel", this.hoverLabel); this.stm.setJmolDefaults (); JU.Elements.covalentVersion = 1; this.allowArrayDotNotation = true; +if (this.allowScripting) this.getScriptManager (); }, "java.util.Map"); +Clazz_defineMethod (c$, "setMaximumSize", + function (x) { +this.maximumSize = Math.max (x, 100); +}, "~N"); +Clazz_defineMethod (c$, "setStereo", +function (isStereoSlave, gRight) { +this.isStereoSlave = isStereoSlave; +this.gRight = gRight; +}, "~B,~O"); +Clazz_defineMethod (c$, "getMenu", +function (type) { +this.getPopupMenu (); +if (type.equals ("\0")) { +this.popupMenu (this.screenWidth - 120, 0, 'j'); +return "OK"; +}return (this.jmolpopup == null ? "" : this.jmolpopup.jpiGetMenuAsString ("Jmol version " + JV.Viewer.getJmolVersion () + "|_GET_MENU|" + type)); +}, "~S"); +Clazz_overrideMethod (c$, "resizeInnerPanel", +function (width, height) { +if (!this.autoExit && this.haveDisplay) return this.sm.resizeInnerPanel (width, height); +this.setScreenDimension (width, height); +return Clazz_newIntArray (-1, [this.screenWidth, this.screenHeight]); +}, "~N,~N"); +Clazz_overrideMethod (c$, "setScreenDimension", +function (width, height) { +height = Math.min (height, this.maximumSize); +width = Math.min (width, this.maximumSize); +if (this.tm.stereoDoubleFull) width = Clazz_doubleToInt ((width + 1) / 2); +if (this.screenWidth == width && this.screenHeight == height) return; +this.resizeImage (width, height, false, false, true); +}, "~N,~N"); +Clazz_defineMethod (c$, "resizeImage", +function (width, height, isImageWrite, isExport, isReset) { +if (!isImageWrite && this.creatingImage) return; +var wasAntialiased = this.antialiased; +this.antialiased = (isReset ? this.g.antialiasDisplay && this.checkMotionRendering (603979786) : isImageWrite && !isExport ? this.g.antialiasImages : false); +if (!isExport && !isImageWrite && (width > 0 || wasAntialiased != this.antialiased)) this.setShapeProperty (5, "clearBoxes", null); +this.imageFontScaling = (this.antialiased ? 2 : 1) * (isReset || this.tm.scale3D || width <= 0 ? 1 : (this.g.zoomLarge == (height > width) ? height : width) * 1 / this.getScreenDim ()); +if (width > 0) { +this.screenWidth = width; +this.screenHeight = height; +if (!isImageWrite) { +this.g.setI ("_width", width); +this.g.setI ("_height", height); +}} else { +width = (this.screenWidth == 0 ? this.screenWidth = 500 : this.screenWidth); +height = (this.screenHeight == 0 ? this.screenHeight = 500 : this.screenHeight); +}this.tm.setScreenParameters (width, height, isImageWrite || isReset ? this.g.zoomLarge : false, this.antialiased, false, false); +this.gdata.setWindowParameters (width, height, this.antialiased); +if (width > 0 && !isImageWrite) this.setStatusResized (width, height); +}, "~N,~N,~B,~B,~B"); +Clazz_overrideMethod (c$, "getScreenWidth", +function () { +return this.screenWidth; +}); +Clazz_overrideMethod (c$, "getScreenHeight", +function () { +return this.screenHeight; +}); +Clazz_defineMethod (c$, "getScreenDim", +function () { +return (this.g.zoomLarge == (this.screenHeight > this.screenWidth) ? this.screenHeight : this.screenWidth); +}); +Clazz_defineMethod (c$, "setWidthHeightVar", +function () { +this.g.setI ("_width", this.screenWidth); +this.g.setI ("_height", this.screenHeight); +}); +Clazz_defineMethod (c$, "getBoundBoxCenterX", +function () { +return Clazz_doubleToInt (this.screenWidth / 2); +}); +Clazz_defineMethod (c$, "getBoundBoxCenterY", +function () { +return Clazz_doubleToInt (this.screenHeight / 2); +}); +Clazz_defineMethod (c$, "updateWindow", + function (width, height) { +if (!this.refreshing || this.creatingImage) return (this.refreshing ? false : !JV.Viewer.isJS); +if (this.isTainted || this.tm.slabEnabled) this.setModelVisibility (); +this.isTainted = false; +if (this.rm != null) { +if (width != 0) this.setScreenDimension (width, height); +}return true; +}, "~N,~N"); +Clazz_defineMethod (c$, "getImage", + function (isDouble, isImageWrite) { +var image = null; +try { +this.beginRendering (isDouble, isImageWrite); +this.render (); +this.gdata.endRendering (); +image = this.gdata.getScreenImage (isImageWrite); +} catch (e$$) { +if (Clazz_exceptionOf (e$$, Error)) { +var er = e$$; +{ +this.gdata.getScreenImage (isImageWrite); +this.handleError (er, false); +this.setErrorMessage ("Error during rendering: " + er, null); +} +} else if (Clazz_exceptionOf (e$$, Exception)) { +var e = e$$; +{ +System.out.println ("render error" + e); +} +} else { +throw e$$; +} +} +return image; +}, "~B,~B"); +Clazz_defineMethod (c$, "beginRendering", + function (isDouble, isImageWrite) { +this.gdata.beginRendering (this.tm.getStereoRotationMatrix (isDouble), this.g.translucent, isImageWrite, !this.checkMotionRendering (603979967)); +}, "~B,~B"); +Clazz_defineMethod (c$, "render", + function () { +if (this.mm.modelSet == null || !this.mustRender || !this.refreshing && !this.creatingImage || this.rm == null) return; +var antialias2 = this.antialiased && this.g.antialiasTranslucent; +var navMinMax = this.shm.finalizeAtoms (this.tm.bsSelectedAtoms, true); +if (JV.Viewer.isWebGL) { +this.rm.renderExport (this.gdata, this.ms, this.jsParams); +this.notifyViewerRepaintDone (); +return; +}this.rm.render (this.gdata, this.ms, true, navMinMax); +if (this.gdata.setPass2 (antialias2)) { +this.tm.setAntialias (antialias2); +this.rm.render (this.gdata, this.ms, false, null); +this.tm.setAntialias (this.antialiased); +}}); +Clazz_defineMethod (c$, "drawImage", + function (graphic, img, x, y, isDTI) { +if (graphic != null && img != null) { +this.apiPlatform.drawImage (graphic, img, x, y, this.screenWidth, this.screenHeight, isDTI); +}this.gdata.releaseScreenImage (); +}, "~O,~O,~N,~N,~B"); +Clazz_defineMethod (c$, "getScreenImage", +function () { +return this.getScreenImageBuffer (null, true); +}); +Clazz_overrideMethod (c$, "getScreenImageBuffer", +function (g, isImageWrite) { +if (JV.Viewer.isWebGL) return (isImageWrite ? this.apiPlatform.allocateRgbImage (0, 0, null, 0, false, true) : null); +var isDouble = this.tm.stereoDoubleFull || this.tm.stereoDoubleDTI; +var isBicolor = this.tm.stereoMode.isBiColor (); +var mergeImages = (g == null && isDouble); +var imageBuffer; +if (isBicolor) { +this.beginRendering (true, isImageWrite); +this.render (); +this.gdata.endRendering (); +this.gdata.snapshotAnaglyphChannelBytes (); +this.beginRendering (false, isImageWrite); +this.render (); +this.gdata.endRendering (); +this.gdata.applyAnaglygh (this.tm.stereoMode, this.tm.stereoColors); +imageBuffer = this.gdata.getScreenImage (isImageWrite); +} else { +imageBuffer = this.getImage (isDouble, isImageWrite); +}var imageBuffer2 = null; +if (mergeImages) { +imageBuffer2 = this.apiPlatform.newBufferedImage (imageBuffer, (this.tm.stereoDoubleDTI ? this.screenWidth : this.screenWidth << 1), this.screenHeight); +g = this.apiPlatform.getGraphics (imageBuffer2); +}if (g != null) { +if (isDouble) { +if (this.tm.stereoMode === J.c.STER.DTI) { +this.drawImage (g, imageBuffer, this.screenWidth >> 1, 0, true); +imageBuffer = this.getImage (false, false); +this.drawImage (g, imageBuffer, 0, 0, true); +g = null; +} else { +this.drawImage (g, imageBuffer, this.screenWidth, 0, false); +imageBuffer = this.getImage (false, false); +}}if (g != null) this.drawImage (g, imageBuffer, 0, 0, false); +}return (mergeImages ? imageBuffer2 : imageBuffer); +}, "~O,~B"); +Clazz_defineMethod (c$, "evalStringWaitStatusQueued", +function (returnType, strScript, statusList, isQuiet, isQueued) { +{ +if (strScript.indexOf("JSCONSOLE") == 0) { +this.html5Applet._showInfo(strScript.indexOf("CLOSE")<0); if +(strScript.indexOf("CLEAR") >= 0) +this.html5Applet._clearConsole(); return null; } +}return (this.getScriptManager () == null ? null : this.scm.evalStringWaitStatusQueued (returnType, strScript, statusList, isQuiet, isQueued)); +}, "~S,~S,~S,~B,~B"); +Clazz_defineMethod (c$, "popupMenu", +function (x, y, type) { +if (!this.haveDisplay || !this.refreshing || this.isPreviewOnly || this.g.disablePopupMenu) return; +switch (type) { +case 'j': +try { +this.getPopupMenu (); +this.jmolpopup.jpiShow (x, y); +} catch (e) { +JU.Logger.info (e.toString ()); +this.g.disablePopupMenu = true; +} +break; +case 'a': +case 'b': +case 'm': +if (this.getModelkit (true) == null) { +return; +}this.modelkit.jpiShow (x, y); +break; +} +}, "~N,~N,~S"); +Clazz_defineMethod (c$, "getModelkit", +function (andShow) { +if (this.modelkit == null) { +this.modelkit = this.apiPlatform.getMenuPopup (null, 'm'); +} else if (andShow) { +this.modelkit.jpiUpdateComputedMenus (); +}return this.modelkit; +}, "~B"); +Clazz_defineMethod (c$, "getPopupMenu", +function () { +if (this.g.disablePopupMenu) return null; +if (this.jmolpopup == null) { +this.jmolpopup = (this.allowScripting ? this.apiPlatform.getMenuPopup (this.menuStructure, 'j') : null); +if (this.jmolpopup == null && !this.async) { +this.g.disablePopupMenu = true; +return null; +}}return this.jmolpopup.jpiGetMenuAsObject (); +}); +Clazz_overrideMethod (c$, "setMenu", +function (fileOrText, isFile) { +if (isFile) JU.Logger.info ("Setting menu " + (fileOrText.length == 0 ? "to Jmol defaults" : "from file " + fileOrText)); +if (fileOrText.length == 0) fileOrText = null; + else if (isFile) fileOrText = this.getFileAsString3 (fileOrText, false, null); +this.getProperty ("DATA_API", "setMenu", fileOrText); +this.sm.setCallbackFunction ("menu", fileOrText); +}, "~S,~B"); +Clazz_defineMethod (c$, "setStatusFrameChanged", +function (isVib, doNotify) { +if (isVib) { +this.prevFrame = -2147483648; +}this.tm.setVibrationPeriod (NaN); +var firstIndex = this.am.firstFrameIndex; +var lastIndex = this.am.lastFrameIndex; +var isMovie = this.am.isMovie; +var modelIndex = this.am.cmi; +if (firstIndex == lastIndex && !isMovie) modelIndex = firstIndex; +var frameID = this.getModelFileNumber (modelIndex); +var currentFrame = this.am.cmi; +var fileNo = frameID; +var modelNo = frameID % 1000000; +var firstNo = (isMovie ? firstIndex : this.getModelFileNumber (firstIndex)); +var lastNo = (isMovie ? lastIndex : this.getModelFileNumber (lastIndex)); +var strModelNo; +if (isMovie) { +strModelNo = "" + (currentFrame + 1); +} else if (fileNo == 0) { +strModelNo = this.getModelNumberDotted (firstIndex); +if (firstIndex != lastIndex) strModelNo += " - " + this.getModelNumberDotted (lastIndex); +if (Clazz_doubleToInt (firstNo / 1000000) == Clazz_doubleToInt (lastNo / 1000000)) fileNo = firstNo; +} else { +strModelNo = this.getModelNumberDotted (modelIndex); +}if (fileNo != 0) fileNo = (fileNo < 1000000 ? 1 : Clazz_doubleToInt (fileNo / 1000000)); +if (!isMovie) { +this.g.setI ("_currentFileNumber", fileNo); +this.g.setI ("_currentModelNumberInFile", modelNo); +}var currentMorphModel = this.am.currentMorphModel; +this.g.setI ("_currentFrame", currentFrame); +this.g.setI ("_morphCount", this.am.morphCount); +this.g.setF ("_currentMorphFrame", currentMorphModel); +this.g.setI ("_frameID", frameID); +this.g.setI ("_modelIndex", modelIndex); +this.g.setO ("_modelNumber", strModelNo); +this.g.setO ("_modelName", (modelIndex < 0 ? "" : this.getModelName (modelIndex))); +var title = (modelIndex < 0 ? "" : this.ms.getModelTitle (modelIndex)); +this.g.setO ("_modelTitle", title == null ? "" : title); +this.g.setO ("_modelFile", (modelIndex < 0 ? "" : this.ms.getModelFileName (modelIndex))); +this.g.setO ("_modelType", (modelIndex < 0 ? "" : this.ms.getModelFileType (modelIndex))); +if (currentFrame == this.prevFrame && currentMorphModel == this.prevMorphModel) return; +this.prevFrame = currentFrame; +this.prevMorphModel = currentMorphModel; +var entryName = this.getModelName (currentFrame); +if (isMovie) { +entryName = "" + (entryName === "" ? currentFrame + 1 : this.am.caf + 1) + ": " + entryName; +} else { +var script = "" + this.getModelNumberDotted (currentFrame); +if (!entryName.equals (script)) entryName = script + ": " + entryName; +}this.sm.setStatusFrameChanged (fileNo, modelNo, (this.am.animationDirection < 0 ? -firstNo : firstNo), (this.am.currentDirection < 0 ? -lastNo : lastNo), currentFrame, currentMorphModel, entryName); +if (this.doHaveJDX ()) this.getJSV ().setModel (modelIndex); +if (JV.Viewer.isJS) this.updateJSView (modelIndex, -1); +}, "~B,~B"); +Clazz_defineMethod (c$, "doHaveJDX", + function () { +return (this.haveJDX || (this.haveJDX = this.getBooleanProperty ("_JSpecView".toLowerCase ()))); +}); +Clazz_defineMethod (c$, "getJSV", +function () { +if (this.jsv == null) { +this.jsv = J.api.Interface.getOption ("jsv.JSpecView", this, "script"); +this.jsv.setViewer (this); +}return this.jsv; +}); +Clazz_defineMethod (c$, "getJDXBaseModelIndex", +function (modelIndex) { +if (!this.doHaveJDX ()) return modelIndex; +return this.getJSV ().getBaseModelIndex (modelIndex); +}, "~N"); +Clazz_defineMethod (c$, "getJspecViewProperties", +function (myParam) { +var o = this.sm.getJspecViewProperties ("" + myParam); +if (o != null) this.haveJDX = true; +return o; +}, "~O"); +Clazz_defineMethod (c$, "scriptEcho", +function (strEcho) { +if (!JU.Logger.isActiveLevel (4)) return; +if (JV.Viewer.isJS) System.out.println (strEcho); +this.sm.setScriptEcho (strEcho, this.isScriptQueued ()); +if (this.listCommands && strEcho != null && strEcho.indexOf ("$[") == 0) JU.Logger.info (strEcho); +}, "~S"); +Clazz_defineMethod (c$, "isScriptQueued", + function () { +return this.scm != null && this.scm.isScriptQueued (); +}); +Clazz_defineMethod (c$, "notifyError", +function (errType, errMsg, errMsgUntranslated) { +this.g.setO ("_errormessage", errMsgUntranslated); +this.sm.notifyError (errType, errMsg, errMsgUntranslated); +}, "~S,~S,~S"); +Clazz_defineMethod (c$, "jsEval", +function (strEval) { +return "" + this.sm.jsEval (strEval); +}, "~S"); +Clazz_defineMethod (c$, "jsEvalSV", +function (strEval) { +return JS.SV.getVariable (JV.Viewer.isJS ? this.sm.jsEval (strEval) : this.jsEval (strEval)); +}, "~S"); +Clazz_defineMethod (c$, "setFileLoadStatus", + function (ptLoad, fullPathName, fileName, modelName, strError, isAsync) { +this.setErrorMessage (strError, null); +this.g.setI ("_loadPoint", ptLoad.getCode ()); +var doCallback = (ptLoad !== J.c.FIL.CREATING_MODELSET); +if (doCallback) this.setStatusFrameChanged (false, false); +this.sm.setFileLoadStatus (fullPathName, fileName, modelName, strError, ptLoad.getCode (), doCallback, isAsync); +if (doCallback) { +if (this.doHaveJDX ()) this.getJSV ().setModel (this.am.cmi); +if (JV.Viewer.isJS) this.updateJSView (this.am.cmi, -2); +}}, "J.c.FIL,~S,~S,~S,~S,Boolean"); +Clazz_defineMethod (c$, "getZapName", +function () { +return (this.g.modelKitMode ? "Jmol Model Kit" : "zapped"); +}); +Clazz_defineMethod (c$, "setStatusMeasuring", +function (status, intInfo, strMeasure, value) { +this.sm.setStatusMeasuring (status, intInfo, strMeasure, value); +}, "~S,~N,~S,~N"); +Clazz_defineMethod (c$, "notifyMinimizationStatus", +function () { +var step = this.getP ("_minimizationStep"); +var ff = this.getP ("_minimizationForceField"); +this.sm.notifyMinimizationStatus (this.getP ("_minimizationStatus"), Clazz_instanceOf (step, String) ? Integer.$valueOf (0) : step, this.getP ("_minimizationEnergy"), (step.toString ().equals ("0") ? Float.$valueOf (0) : this.getP ("_minimizationEnergyDiff")), ff); +}); +Clazz_defineMethod (c$, "setStatusAtomPicked", +function (atomIndex, info, map, andSelect) { +if (andSelect) this.setSelectionSet (JU.BSUtil.newAndSetBit (atomIndex)); +if (info == null) { +info = this.g.pickLabel; +info = (info.length == 0 ? this.getAtomInfoXYZ (atomIndex, this.g.messageStyleChime) : this.ms.getAtomInfo (atomIndex, info, this.ptTemp)); +}this.setPicked (atomIndex, false); +if (atomIndex < 0) { +var m = this.getPendingMeasurement (); +if (m != null) info = info.substring (0, info.length - 1) + ",\"" + m.getString () + "\"]"; +}this.g.setO ("_pickinfo", info); +this.sm.setStatusAtomPicked (atomIndex, info, map); +if (atomIndex < 0) return; +var syncMode = this.sm.getSyncMode (); +if (syncMode == 1 && this.doHaveJDX ()) this.getJSV ().atomPicked (atomIndex); +if (JV.Viewer.isJS) this.updateJSView (this.ms.at[atomIndex].mi, atomIndex); +}, "~N,~S,java.util.Map,~B"); +Clazz_overrideMethod (c$, "getProperty", +function (returnType, infoType, paramInfo) { +if (!"DATA_API".equals (returnType)) return this.getPropertyManager ().getProperty (returnType, infoType, paramInfo); +switch (("scriptCheck.........consoleText.........scriptEditor........scriptEditorState...getAppConsole.......getScriptEditor.....setMenu.............spaceGroupInfo......disablePopupMenu....defaultDirectory....getPopupMenu........shapeManager........getPreference.......").indexOf (infoType)) { +case 0: +return this.scriptCheckRet (paramInfo, true); +case 20: +return (this.appConsole == null ? "" : this.appConsole.getText ()); +case 40: +this.showEditor (paramInfo); +return null; +case 60: +this.scriptEditorVisible = (paramInfo).booleanValue (); +return null; +case 80: +if (this.$isKiosk) { +this.appConsole = null; +} else if (Clazz_instanceOf (paramInfo, J.api.JmolAppConsoleInterface)) { +this.appConsole = paramInfo; +} else if (paramInfo != null && !(paramInfo).booleanValue ()) { +this.appConsole = null; +} else if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { +if (JV.Viewer.isJS) { +this.appConsole = J.api.Interface.getOption ("consolejs.AppletConsole", this, "script"); +}{ +}if (this.appConsole != null) this.appConsole.start (this); +}this.scriptEditor = (JV.Viewer.isJS || this.appConsole == null ? null : this.appConsole.getScriptEditor ()); +return this.appConsole; +case 100: +if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { +this.getProperty ("DATA_API", "getAppConsole", Boolean.TRUE); +this.scriptEditor = (this.appConsole == null ? null : this.appConsole.getScriptEditor ()); +}return this.scriptEditor; +case 120: +if (this.jmolpopup != null) this.jmolpopup.jpiDispose (); +this.jmolpopup = null; +return this.menuStructure = paramInfo; +case 140: +return this.getSymTemp ().getSpaceGroupInfo (this.ms, null, -1, false, null); +case 160: +this.g.disablePopupMenu = true; +return null; +case 180: +return this.g.defaultDirectory; +case 200: +if (Clazz_instanceOf (paramInfo, String)) return this.getMenu (paramInfo); +return this.getPopupMenu (); +case 220: +return this.shm.getProperty (paramInfo); +case 240: +return this.sm.syncSend ("getPreference", paramInfo, 1); +} +JU.Logger.error ("ERROR in getProperty DATA_API: " + infoType); +return null; +}, "~S,~S,~O"); +Clazz_defineMethod (c$, "notifyMouseClicked", +function (x, y, action, mode) { +var modifiers = JV.binding.Binding.getButtonMods (action); +var clickCount = JV.binding.Binding.getClickCount (action); +this.g.setI ("_mouseX", x); +this.g.setI ("_mouseY", this.screenHeight - y); +this.g.setI ("_mouseAction", action); +this.g.setI ("_mouseModifiers", modifiers); +this.g.setI ("_clickCount", clickCount); +return this.sm.setStatusClicked (x, this.screenHeight - y, action, clickCount, mode); +}, "~N,~N,~N,~N"); +Clazz_defineMethod (c$, "getOutputManager", + function () { +if (this.outputManager != null) return this.outputManager; +return (this.outputManager = J.api.Interface.getInterface ("JV.OutputManager" + (JV.Viewer.isJS ? "JS" : "Awt"), this, "file")).setViewer (this, this.privateKey); +}); +Clazz_defineMethod (c$, "getJzt", +function () { +return (this.jzt == null ? this.jzt = J.api.Interface.getInterface ("JU.ZipTools", this, "zip") : this.jzt); +}); +Clazz_defineMethod (c$, "readFileAsMap", +function (bis, map, name) { +this.getJzt ().readFileAsMap (bis, map, name); +}, "java.io.BufferedInputStream,java.util.Map,~S"); +Clazz_defineMethod (c$, "getZipDirectoryAsString", +function (fileName) { +var t = this.fm.getBufferedInputStreamOrErrorMessageFromName (fileName, fileName, false, false, null, false, true); +return this.getJzt ().getZipDirectoryAsStringAndClose (t); +}, "~S"); +Clazz_overrideMethod (c$, "getImageAsBytes", +function (type, width, height, quality, errMsg) { +return this.getOutputManager ().getImageAsBytes (type, width, height, quality, errMsg); +}, "~S,~N,~N,~N,~A"); +Clazz_overrideMethod (c$, "releaseScreenImage", +function () { +this.gdata.releaseScreenImage (); +}); Clazz_defineMethod (c$, "setDisplay", function (canvas) { this.display = canvas; @@ -53786,7 +54736,7 @@ if (this.useCommandThread) this.scm.startCommandWatcher (true); }); Clazz_defineMethod (c$, "checkOption2", function (key1, key2) { -return (this.vwrOptions.containsKey (key1) || this.commandOptions.indexOf (key2) >= 0); +return (this.vwrOptions.containsKey (key1) && !this.vwrOptions.get (key1).toString ().equals ("false") || this.commandOptions.indexOf (key2) >= 0); }, "~S,~S"); Clazz_defineMethod (c$, "setStartupBooleans", function () { @@ -53865,11 +54815,6 @@ this.setBooleanProperty ("antialiasDisplay", (isPyMOL ? true : this.g.antialiasD this.stm.resetLighting (); this.tm.setDefaultPerspective (); }, "~B,~B"); -Clazz_defineMethod (c$, "setWidthHeightVar", -function () { -this.g.setI ("_width", this.screenWidth); -this.g.setI ("_height", this.screenHeight); -}); Clazz_defineMethod (c$, "saveModelOrientation", function () { this.ms.saveModelOrientation (this.am.cmi, this.stm.getOrientation ()); @@ -53899,19 +54844,9 @@ var pd = tm.perspectiveDepth; var width = tm.width; var height = tm.height; { -return { -center:center, -quaternion:q, -xtrans:xtrans, -ytrans:ytrans, -scale:scale, -zoom:zoom, -cameraDistance:cd, -pixelCount:pc, -perspective:pd, -width:width, -height:height -}; +return { center:center, quaternion:q, xtrans:xtrans, +ytrans:ytrans, scale:scale, zoom:zoom, cameraDistance:cd, +pixelCount:pc, perspective:pd, width:width, height:height }; }}); Clazz_defineMethod (c$, "setRotationRadius", function (angstroms, doAll) { @@ -54360,14 +55295,19 @@ var filter = this.g.defaultLoadFilter; if (filter.length > 0) htParams.put ("filter", filter); }var merging = (isAppend && !this.g.appendNew && this.ms.ac > 0); htParams.put ("baseAtomIndex", Integer.$valueOf (isAppend ? this.ms.ac : 0)); +htParams.put ("baseBondIndex", Integer.$valueOf (isAppend ? this.ms.bondCount : 0)); htParams.put ("baseModelIndex", Integer.$valueOf (this.ms.ac == 0 ? 0 : this.ms.mc + (merging ? -1 : 0))); if (merging) htParams.put ("merging", Boolean.TRUE); return htParams; }, "java.util.Map,~B"); Clazz_overrideMethod (c$, "openFileAsyncSpecial", function (fileName, flags) { -this.getScriptManager ().openFileAsync (fileName, flags); +this.getScriptManager ().openFileAsync (fileName, flags, false); }, "~S,~N"); +Clazz_defineMethod (c$, "openFileDropped", +function (fname, checkDims) { +this.getScriptManager ().openFileAsync (fname, 16, checkDims); +}, "~S,~B"); Clazz_overrideMethod (c$, "openFile", function (fileName) { this.zap (true, true, false); @@ -54530,7 +55470,7 @@ if (strModel == null) if (this.g.modelKitMode) strModel = "5\n\nC 0 0 0\nH .63 . if (loadScript != null) htParams.put ("loadScript", loadScript = new JU.SB ().append (JU.PT.rep (loadScript.toString (), "/*file*/$FILENAME$", "/*data*/data \"model inline\"\n" + strModel + "end \"model inline\""))); }if (strModel != null) { if (!isAppend) this.zap (true, false, false); -if (!isLoadVariable && (!haveFileData || isString)) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, this.g.defaultLoadFilter); +if (!isLoadVariable && (!haveFileData || isString)) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, htParams.get ("appendToModelIndex"), this.g.defaultLoadFilter); atomSetCollection = this.fm.createAtomSetCollectionFromString (strModel, htParams, isAppend); } else { atomSetCollection = this.fm.createAtomSetCollectionFromFile (fileName, htParams, isAppend); @@ -54636,7 +55576,7 @@ var loadScript = htParams.get ("loadScript"); var isLoadCommand = htParams.containsKey ("isData"); if (loadScript == null) loadScript = new JU.SB (); if (!isAppend) this.zap (true, false, false); -if (!isLoadCommand) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, this.g.defaultLoadFilter); +if (!isLoadCommand) this.getStateCreator ().getInlineData (loadScript, strModel, isAppend, htParams.get ("appendToModelIndex"), this.g.defaultLoadFilter); var atomSetCollection = this.fm.createAtomSetCollectionFromString (strModel, htParams, isAppend); return this.createModelSetAndReturnError (atomSetCollection, isAppend, loadScript, htParams); }, "~S,java.util.Map,~B"); @@ -54679,17 +55619,23 @@ var bsNew = new JU.BS (); this.mm.createModelSet (fullPathName, fileName, loadScript, atomSetCollection, bsNew, isAppend); if (bsNew.cardinality () > 0) { var jmolScript = this.ms.getInfoM ("jmolscript"); -if (this.ms.getMSInfoB ("doMinimize")) try { +if (this.ms.getMSInfoB ("doMinimize")) { +try { var eval = htParams.get ("eval"); -this.minimize (eval, 2147483647, 0, bsNew, null, 0, true, true, true, true); +var stereo = this.getAtomBitSet ("_C & connected(3) & !connected(double)"); +stereo.and (bsNew); +if (stereo.nextSetBit (0) >= 0) { +bsNew.or (this.addHydrogens (stereo, 21)); +}this.minimize (eval, 2147483647, 0, bsNew, null, 0, 29); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { } else { throw e; } } - else this.addHydrogens (bsNew, false, true); -if (jmolScript != null) this.ms.msInfo.put ("jmolscript", jmolScript); +} else { +this.addHydrogens (bsNew, 5); +}if (jmolScript != null) this.ms.msInfo.put ("jmolscript", jmolScript); }this.initializeModel (isAppend); } catch (er) { if (Clazz_exceptionOf (er, Error)) { @@ -54889,10 +55835,7 @@ this.setBooleanProperty ("legacyjavafloat", false); if (resetUndo) { if (zapModelKit) this.g.removeParam ("_pngjFile"); if (zapModelKit && this.g.modelKitMode) { -this.openStringInlineParamsAppend ("5\n\nC 0 0 0\nH .63 .63 .63\nH -.63 -.63 .63\nH -.63 .63 -.63\nH .63 -.63 -.63", null, true); -this.setRotationRadius (5.0, true); -this.setStringProperty ("picking", "assignAtom_C"); -this.setStringProperty ("picking", "assignBond_p"); +this.loadDefaultModelKitModel (null); }this.undoClear (); }System.gc (); }this.initializeModel (false); @@ -54900,6 +55843,13 @@ if (notify) { this.setFileLoadStatus (J.c.FIL.ZAPPED, null, (resetUndo ? "resetUndo" : this.getZapName ()), null, null, null); }if (JU.Logger.debugging) JU.Logger.checkMemory (); }, "~B,~B,~B"); +Clazz_defineMethod (c$, "loadDefaultModelKitModel", + function (htParams) { +this.openStringInlineParamsAppend (this.getModelkit (false).getDefaultModel (), htParams, true); +this.setRotationRadius (5.0, true); +this.setStringProperty ("picking", "assignAtom_C"); +this.setStringProperty ("picking", "assignBond_p"); +}, "java.util.Map"); Clazz_defineMethod (c$, "zapMsg", function (msg) { this.zap (true, true, false); @@ -54962,17 +55912,38 @@ var symmetry = this.getCurrentUnitCell (); return (symmetry == null ? NaN : symmetry.getUnitCellInfoType (infoType)); }, "~N"); Clazz_defineMethod (c$, "getV0abc", -function (def) { -var uc = this.getCurrentUnitCell (); +function (iModel, def) { +var uc = (iModel < 0 ? this.getCurrentUnitCell () : this.getUnitCell (iModel)); return (uc == null ? null : uc.getV0abc (def)); -}, "~O"); +}, "~N,~O"); +Clazz_defineMethod (c$, "getCurrentUnitCell", +function () { +var iAtom = this.am.getUnitCellAtomIndex (); +if (iAtom >= 0) return this.ms.getUnitCellForAtom (iAtom); +return this.getUnitCell (this.am.cmi); +}); +Clazz_defineMethod (c$, "getUnitCell", + function (m) { +if (m >= 0) return this.ms.getUnitCell (m); +var models = this.getVisibleFramesBitSet (); +var ucLast = null; +for (var i = models.nextSetBit (0); i >= 0; i = models.nextSetBit (i + 1)) { +var uc = this.ms.getUnitCell (i); +if (uc == null) continue; +if (ucLast == null) { +ucLast = uc; +continue; +}if (!ucLast.unitCellEquals (uc)) return null; +} +return ucLast; +}, "~N"); Clazz_defineMethod (c$, "getPolymerPointsAndVectors", function (bs, vList) { this.ms.getPolymerPointsAndVectors (bs, vList, this.g.traceAlpha, this.g.sheetSmoothing); }, "JU.BS,JU.Lst"); Clazz_defineMethod (c$, "getHybridizationAndAxes", function (atomIndex, z, x, lcaoType) { -return this.ms.getHybridizationAndAxes (atomIndex, 0, z, x, lcaoType, true, true); +return this.ms.getHybridizationAndAxes (atomIndex, 0, z, x, lcaoType, true, true, false); }, "~N,JU.V3,JU.V3,~S"); Clazz_defineMethod (c$, "getAllAtoms", function () { @@ -54999,14 +55970,6 @@ Clazz_overrideMethod (c$, "getBoundBoxCornerVector", function () { return this.ms.getBoundBoxCornerVector (); }); -Clazz_defineMethod (c$, "getBoundBoxCenterX", -function () { -return Clazz_doubleToInt (this.screenWidth / 2); -}); -Clazz_defineMethod (c$, "getBoundBoxCenterY", -function () { -return Clazz_doubleToInt (this.screenHeight / 2); -}); Clazz_overrideMethod (c$, "getModelSetProperties", function () { return this.ms.modelSetProperties; @@ -55015,6 +55978,10 @@ Clazz_overrideMethod (c$, "getModelProperties", function (modelIndex) { return this.ms.am[modelIndex].properties; }, "~N"); +Clazz_defineMethod (c$, "getModelForAtomIndex", +function (iatom) { +return this.ms.am[this.ms.at[iatom].mi]; +}, "~N"); Clazz_overrideMethod (c$, "getModelSetAuxiliaryInfo", function () { return this.ms.getAuxiliaryInfo (null); @@ -55049,7 +56016,7 @@ return !this.g.disablePopupMenu && this.getShowFrank () && this.shm.checkFrankcl }, "~N,~N"); Clazz_defineMethod (c$, "frankClickedModelKit", function (x, y) { -return !this.g.disablePopupMenu && this.g.modelKitMode && x >= 0 && y >= 0 && x < 40 && y < 80; +return !this.g.disablePopupMenu && this.g.modelKitMode && x >= 0 && y >= 0 && x < 40 && y < 104; }, "~N,~N"); Clazz_overrideMethod (c$, "findNearestAtomIndex", function (x, y) { @@ -55213,23 +56180,6 @@ function (bsFrom, bsTo, onlyIfHaveCalculated) { if (bsFrom == null) bsFrom = bsTo = this.bsA (); return this.ms.autoHbond (bsFrom, bsTo, onlyIfHaveCalculated); }, "JU.BS,JU.BS,~B"); -Clazz_defineMethod (c$, "getCurrentUnitCell", -function () { -if (this.am.cai >= 0) return this.ms.getUnitCellForAtom (this.am.cai); -var m = this.am.cmi; -if (m >= 0) return this.ms.getUnitCell (m); -var models = this.getVisibleFramesBitSet (); -var ucLast = null; -for (var i = models.nextSetBit (0); i >= 0; i = models.nextSetBit (i + 1)) { -var uc = this.ms.getUnitCell (i); -if (uc == null) continue; -if (ucLast == null) { -ucLast = uc; -continue; -}if (!ucLast.unitCellEquals (uc)) return null; -} -return ucLast; -}); Clazz_defineMethod (c$, "getDefaultMeasurementLabel", function (nPoints) { switch (nPoints) { @@ -55473,55 +56423,6 @@ var TF = this.axesAreTainted; this.axesAreTainted = false; return TF; }); -Clazz_defineMethod (c$, "setMaximumSize", - function (x) { -this.maximumSize = Math.max (x, 100); -}, "~N"); -Clazz_overrideMethod (c$, "setScreenDimension", -function (width, height) { -height = Math.min (height, this.maximumSize); -width = Math.min (width, this.maximumSize); -if (this.tm.stereoDoubleFull) width = Clazz_doubleToInt ((width + 1) / 2); -if (this.screenWidth == width && this.screenHeight == height) return; -this.resizeImage (width, height, false, false, true); -}, "~N,~N"); -Clazz_defineMethod (c$, "setStereo", -function (isStereoSlave, gRight) { -this.isStereoSlave = isStereoSlave; -this.gRight = gRight; -}, "~B,~O"); -Clazz_defineMethod (c$, "resizeImage", -function (width, height, isImageWrite, isExport, isReset) { -if (!isImageWrite && this.creatingImage) return; -var wasAntialiased = this.antialiased; -this.antialiased = (isReset ? this.g.antialiasDisplay && this.checkMotionRendering (603979786) : isImageWrite && !isExport ? this.g.antialiasImages : false); -if (!isExport && !isImageWrite && (width > 0 || wasAntialiased != this.antialiased)) this.setShapeProperty (5, "clearBoxes", null); -this.imageFontScaling = (this.antialiased ? 2 : 1) * (isReset || this.tm.scale3D || width <= 0 ? 1 : (this.g.zoomLarge == (height > width) ? height : width) * 1 / this.getScreenDim ()); -if (width > 0) { -this.screenWidth = width; -this.screenHeight = height; -if (!isImageWrite) { -this.g.setI ("_width", width); -this.g.setI ("_height", height); -}} else { -width = (this.screenWidth == 0 ? this.screenWidth = 500 : this.screenWidth); -height = (this.screenHeight == 0 ? this.screenHeight = 500 : this.screenHeight); -}this.tm.setScreenParameters (width, height, isImageWrite || isReset ? this.g.zoomLarge : false, this.antialiased, false, false); -this.gdata.setWindowParameters (width, height, this.antialiased); -if (width > 0 && !isImageWrite) this.setStatusResized (width, height); -}, "~N,~N,~B,~B,~B"); -Clazz_overrideMethod (c$, "getScreenWidth", -function () { -return this.screenWidth; -}); -Clazz_overrideMethod (c$, "getScreenHeight", -function () { -return this.screenHeight; -}); -Clazz_defineMethod (c$, "getScreenDim", -function () { -return (this.g.zoomLarge == (this.screenHeight > this.screenWidth) ? this.screenHeight : this.screenWidth); -}); Clazz_overrideMethod (c$, "generateOutputForExport", function (params) { return (this.noGraphicsAllowed || this.rm == null ? null : this.getOutputManager ().getOutputFromExport (params)); @@ -55530,6 +56431,10 @@ Clazz_defineMethod (c$, "clearRepaintManager", function (iShape) { if (this.rm != null) this.rm.clear (iShape); }, "~N"); +Clazz_defineMethod (c$, "renderScreenImage", +function (g, width, height) { +this.renderScreenImageStereo (g, false, width, height); +}, "~O,~N,~N"); Clazz_defineMethod (c$, "renderScreenImageStereo", function (gLeft, checkStereoSlave, width, height) { if (this.updateWindow (width, height)) { @@ -55539,6 +56444,7 @@ this.getScreenImageBuffer (gLeft, false); this.drawImage (this.gRight, this.getImage (true, false), 0, 0, this.tm.stereoDoubleDTI); this.drawImage (gLeft, this.getImage (false, false), 0, 0, this.tm.stereoDoubleDTI); }}if (this.captureParams != null && Boolean.FALSE !== this.captureParams.get ("captureEnabled")) { +this.captureParams.remove ("imagePixels"); var t = (this.captureParams.get ("endTime")).longValue (); if (t > 0 && System.currentTimeMillis () + 50 > t) this.captureParams.put ("captureMode", "end"); this.processWriteOrCapture (this.captureParams); @@ -55562,122 +56468,9 @@ if (this.html5Applet == null) return; var applet = this.html5Applet; var doViewPick = true; { -doViewPick = (applet._viewSet != null); +doViewPick = (applet != null && applet._viewSet != null); }if (doViewPick) this.html5Applet._atomPickedCallback (imodel, iatom); }, "~N,~N"); -Clazz_defineMethod (c$, "updateWindow", - function (width, height) { -if (!this.refreshing || this.creatingImage) return (this.refreshing ? false : !JV.Viewer.isJS); -if (this.isTainted || this.tm.slabEnabled) this.setModelVisibility (); -this.isTainted = false; -if (this.rm != null) { -if (width != 0) this.setScreenDimension (width, height); -}return true; -}, "~N,~N"); -Clazz_defineMethod (c$, "renderScreenImage", -function (g, width, height) { -this.renderScreenImageStereo (g, false, width, height); -}, "~O,~N,~N"); -Clazz_defineMethod (c$, "getImage", - function (isDouble, isImageWrite) { -var image = null; -try { -this.beginRendering (isDouble, isImageWrite); -this.render (); -this.gdata.endRendering (); -image = this.gdata.getScreenImage (isImageWrite); -} catch (e$$) { -if (Clazz_exceptionOf (e$$, Error)) { -var er = e$$; -{ -this.gdata.getScreenImage (isImageWrite); -this.handleError (er, false); -this.setErrorMessage ("Error during rendering: " + er, null); -} -} else if (Clazz_exceptionOf (e$$, Exception)) { -var e = e$$; -{ -System.out.println ("render error" + e); -if (!JV.Viewer.isJS) e.printStackTrace (); -} -} else { -throw e$$; -} -} -return image; -}, "~B,~B"); -Clazz_defineMethod (c$, "beginRendering", - function (isDouble, isImageWrite) { -this.gdata.beginRendering (this.tm.getStereoRotationMatrix (isDouble), this.g.translucent, isImageWrite, !this.checkMotionRendering (603979967)); -}, "~B,~B"); -Clazz_defineMethod (c$, "render", - function () { -if (this.mm.modelSet == null || !this.mustRender || !this.refreshing && !this.creatingImage || this.rm == null) return; -var antialias2 = this.antialiased && this.g.antialiasTranslucent; -var navMinMax = this.shm.finalizeAtoms (this.tm.bsSelectedAtoms, true); -if (JV.Viewer.isWebGL) { -this.rm.renderExport (this.gdata, this.ms, this.jsParams); -this.notifyViewerRepaintDone (); -return; -}this.rm.render (this.gdata, this.ms, true, navMinMax); -if (this.gdata.setPass2 (antialias2)) { -this.tm.setAntialias (antialias2); -this.rm.render (this.gdata, this.ms, false, null); -this.tm.setAntialias (this.antialiased); -}}); -Clazz_defineMethod (c$, "drawImage", - function (graphic, img, x, y, isDTI) { -if (graphic != null && img != null) { -this.apiPlatform.drawImage (graphic, img, x, y, this.screenWidth, this.screenHeight, isDTI); -}this.gdata.releaseScreenImage (); -}, "~O,~O,~N,~N,~B"); -Clazz_defineMethod (c$, "getScreenImage", -function () { -return this.getScreenImageBuffer (null, true); -}); -Clazz_overrideMethod (c$, "getScreenImageBuffer", -function (graphic, isImageWrite) { -if (JV.Viewer.isWebGL) return (isImageWrite ? this.apiPlatform.allocateRgbImage (0, 0, null, 0, false, true) : null); -var isDouble = this.tm.stereoDoubleFull || this.tm.stereoDoubleDTI; -var mergeImages = (graphic == null && isDouble); -var imageBuffer; -if (this.tm.stereoMode.isBiColor ()) { -this.beginRendering (true, isImageWrite); -this.render (); -this.gdata.endRendering (); -this.gdata.snapshotAnaglyphChannelBytes (); -this.beginRendering (false, isImageWrite); -this.render (); -this.gdata.endRendering (); -this.gdata.applyAnaglygh (this.tm.stereoMode, this.tm.stereoColors); -imageBuffer = this.gdata.getScreenImage (isImageWrite); -} else { -imageBuffer = this.getImage (isDouble, isImageWrite); -}var imageBuffer2 = null; -if (mergeImages) { -imageBuffer2 = this.apiPlatform.newBufferedImage (imageBuffer, (this.tm.stereoDoubleDTI ? this.screenWidth : this.screenWidth << 1), this.screenHeight); -graphic = this.apiPlatform.getGraphics (imageBuffer2); -}if (graphic != null) { -if (isDouble) { -if (this.tm.stereoMode === J.c.STER.DTI) { -this.drawImage (graphic, imageBuffer, this.screenWidth >> 1, 0, true); -imageBuffer = this.getImage (false, false); -this.drawImage (graphic, imageBuffer, 0, 0, true); -graphic = null; -} else { -this.drawImage (graphic, imageBuffer, this.screenWidth, 0, false); -imageBuffer = this.getImage (false, false); -}}if (graphic != null) this.drawImage (graphic, imageBuffer, 0, 0, false); -}return (mergeImages ? imageBuffer2 : imageBuffer); -}, "~O,~B"); -Clazz_overrideMethod (c$, "getImageAsBytes", -function (type, width, height, quality, errMsg) { -return this.getOutputManager ().getImageAsBytes (type, width, height, quality, errMsg); -}, "~S,~N,~N,~N,~A"); -Clazz_overrideMethod (c$, "releaseScreenImage", -function () { -this.gdata.releaseScreenImage (); -}); Clazz_overrideMethod (c$, "evalFile", function (strFilename) { return (this.allowScripting && this.getScriptManager () != null ? this.scm.evalFile (strFilename) : null); @@ -55735,15 +56528,6 @@ var ret = this.evalStringWaitStatusQueued (returnType, strScript, statusList, fa J.i18n.GT.setDoTranslate (doTranslateTemp); return ret; }, "~S,~S,~S"); -Clazz_defineMethod (c$, "evalStringWaitStatusQueued", -function (returnType, strScript, statusList, isQuiet, isQueued) { -{ -if (strScript.indexOf("JSCONSOLE") == 0) { -this.html5Applet._showInfo(strScript.indexOf("CLOSE")<0); if -(strScript.indexOf("CLEAR") >= 0) -this.html5Applet._clearConsole(); return null; } -}return (this.getScriptManager () == null ? null : this.scm.evalStringWaitStatusQueued (returnType, strScript, statusList, isQuiet, isQueued)); -}, "~S,~S,~S,~B,~B"); Clazz_defineMethod (c$, "exitJmol", function () { if (this.isApplet && !this.isJNLP) return; @@ -55766,7 +56550,7 @@ return (this.getScriptManager () == null ? null : this.scm.scriptCheckRet (strSc }, "~S,~B"); Clazz_overrideMethod (c$, "scriptCheck", function (strScript) { -return (this.getScriptManager () == null ? null : this.scriptCheckRet (strScript, false)); +return this.scriptCheckRet (strScript, false); }, "~S"); Clazz_overrideMethod (c$, "isScriptExecuting", function () { @@ -55786,8 +56570,7 @@ if (this.eval != null) this.eval.pauseExecution (true); }); Clazz_defineMethod (c$, "resolveDatabaseFormat", function (fileName) { -if (JV.Viewer.hasDatabasePrefix (fileName)) fileName = this.setLoadFormat (fileName, fileName.charAt (0), false); -return fileName; +return (JV.Viewer.hasDatabasePrefix (fileName) || fileName.indexOf ("cactus.nci.nih.gov/chemical/structure") >= 0 ? this.setLoadFormat (fileName, fileName.charAt (0), false) : fileName); }, "~S"); c$.hasDatabasePrefix = Clazz_defineMethod (c$, "hasDatabasePrefix", function (fileName) { @@ -55802,6 +56585,11 @@ function (name, type, withPrefix) { var format = null; var id = name.substring (1); switch (type) { +case 'c': +return name; +case 'h': +this.checkCIR (false); +return this.g.nihResolverFormat + name.substring (name.indexOf ("/structure") + 10); case '=': if (name.startsWith ("==")) { id = id.substring (1); @@ -55891,11 +56679,20 @@ if (fl.startsWith ("name:")) id = id.substring (5); id = "name/" + JU.PT.escapeUrl (id); }}return JU.PT.formatStringS (format, "FILE", id); case '$': -if (name.startsWith ("$$")) { +this.checkCIR (false); +if (name.equals ("$")) { +try { +id = this.getOpenSmiles (this.bsA ()); +} catch (e) { +if (Clazz_exceptionOf (e, Exception)) { +} else { +throw e; +} +} +} else if (name.startsWith ("$$")) { id = id.substring (1); -format = JU.PT.rep (this.g.smilesUrlFormat, "&get3d=True", ""); -return JU.PT.formatStringS (format, "FILE", JU.PT.escapeUrl (id)); -}if (name.equals ("$")) try { +if (id.length == 0) { +try { id = this.getOpenSmiles (this.bsA ()); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { @@ -55903,7 +56700,9 @@ if (Clazz_exceptionOf (e, Exception)) { throw e; } } -case 'M': +}format = JU.PT.rep (this.g.smilesUrlFormat, "get3d=true", "get3d=false"); +return JU.PT.formatStringS (format, "FILE", JU.PT.escapeUrl (id)); +}case 'M': case 'N': case '2': case 'I': @@ -55915,29 +56714,30 @@ id = JU.PT.escapeUrl (id); switch (type) { case 'M': case 'N': -format = this.g.nihResolverFormat + "/names"; +format = this.g.nihResolverFormat + "/%FILE/names"; break; case '2': -format = this.g.nihResolverFormat + "/image"; +format = this.g.nihResolverFormat + "/%FILE/image"; break; case 'I': case 'T': -format = this.g.nihResolverFormat + "/stdinchi"; +format = this.g.nihResolverFormat + "/%FILE/stdinchi"; break; case 'K': -format = this.g.nihResolverFormat + "/inchikey"; +format = this.g.nihResolverFormat + "/%FILE/inchikey"; break; case 'S': -format = this.g.nihResolverFormat + "/stdinchikey"; +format = this.g.nihResolverFormat + "/%FILE/stdinchikey"; break; case '/': -format = this.g.nihResolverFormat + "/"; +format = this.g.nihResolverFormat + "/%FILE/"; break; default: format = this.g.smilesUrlFormat; break; } return (withPrefix ? "MOL3D::" : "") + JU.PT.formatStringS (format, "FILE", id); +case '?': case '-': case '_': var isDiff = id.startsWith ("*") || id.startsWith ("="); @@ -55947,6 +56747,43 @@ pt = id.indexOf ("."); if (pt >= 0) { ciftype = id.substring (pt + 1); id = id.substring (0, pt); +}var checkXray = id.startsWith ("density"); +if (checkXray) id = "em" + id.substring (7); +if (id.equals ("emdb") || id.equals ("em")) id += "/"; +if (id.startsWith ("em/")) id = "emdb" + id.substring (2); +if (id.startsWith ("emdb/")) { +id = id.substring (5); +if (id.length == 0) id = "="; + else if (id.startsWith ("*")) id = "=" + id.substring (1); +var emdext = "#-sigma=10"; +if (id.startsWith ("=")) { +id = (id.equals ("=") ? this.getPdbID () : id.substring (1)); +if (id == null || type == '?') return id; +var q = JV.JC.resolveDataBase ("emdbquery", id, null); +var data = this.fm.cacheGet (q, false); +if (data == null) { +this.showString ("retrieving " + q, false); +data = this.getFileAsString (q); +if (data == null) { +this.showString ("EM retrieve failed for " + id, false); +if (!checkXray) return null; +data = "FAILED"; +} else { +this.showString (data, false); +}this.fm.cachePut (q, data); +}pt = data.indexOf ("EMD-"); +if (pt >= 0) { +id = data.substring (pt + 4); +pt = id.indexOf ('\n'); +if (pt > 0) id = id.substring (0, pt); +pt = id.indexOf (","); +if (pt > 0) { +emdext = "#-cutoff=" + id.substring (pt + 1); +id = id.substring (0, pt); +}} else { +if (!checkXray) return null; +emdext = null; +}}if (emdext != null) return JV.JC.resolveDataBase ("emdbmap" + (type == '-' ? "server" : ""), id, null) + emdext; }id = JV.JC.resolveDataBase ((isDiff ? "pdbemapdiff" : "pdbemap") + (type == '-' ? "server" : ""), id, null); if ("cif".equals (ciftype)) { id = id.$replace ("bcif", "cif"); @@ -55954,6 +56791,25 @@ id = id.$replace ("bcif", "cif"); } return id; }, "~S,~S,~B"); +Clazz_defineMethod (c$, "checkCIR", + function (forceCheck) { +if (this.cirChecked && !forceCheck) return; +try { +this.g.removeParam ("_cirStatus"); +var m = this.getModelSetAuxiliaryInfo (); +m.remove ("cirInfo"); +var map = this.parseJSONMap (this.getFileAsString (this.g.resolverResolver)); +m.put ("cirInfo", map); +this.ms.msInfo = m; +var s = map.get ("status"); +this.g.setO ("_cirStatus", s); +this.g.setCIR (map.get ("rfc6570Template")); +System.out.println ("Viewer.checkCIR _.cirInfo.status = " + s); +} catch (t) { +System.out.println ("Viewer.checkCIR failed at " + this.g.resolverResolver + ": " + t); +} +this.cirChecked = true; +}, "~B"); Clazz_defineMethod (c$, "getStandardLabelFormat", function (type) { switch (type) { @@ -55967,16 +56823,16 @@ return this.g.defaultLabelPDB; } }, "~N"); Clazz_defineMethod (c$, "getAdditionalHydrogens", -function (bsAtoms, doAll, justCarbon, vConnections) { +function (bsAtoms, vConnections, flags) { if (bsAtoms == null) bsAtoms = this.bsA (); var nTotal = Clazz_newIntArray (1, 0); -var pts = this.ms.calculateHydrogens (bsAtoms, nTotal, doAll, justCarbon, vConnections); +var pts = this.ms.calculateHydrogens (bsAtoms, nTotal, vConnections, flags); var points = new Array (nTotal[0]); for (var i = 0, pt = 0; i < pts.length; i++) if (pts[i] != null) for (var j = 0; j < pts[i].length; j++) points[pt++] = pts[i][j]; return points; -}, "JU.BS,~B,~B,JU.Lst"); +}, "JU.BS,JU.Lst,~N"); Clazz_overrideMethod (c$, "setMarBond", function (marBond) { this.g.bondRadiusMilliAngstroms = marBond; @@ -56142,201 +56998,6 @@ Clazz_defineMethod (c$, "menuEnabled", function () { return (!this.g.disablePopupMenu && this.getPopupMenu () != null); }); -Clazz_defineMethod (c$, "popupMenu", -function (x, y, type) { -if (!this.haveDisplay || !this.refreshing || this.isPreviewOnly || this.g.disablePopupMenu) return; -switch (type) { -case 'j': -try { -this.getPopupMenu (); -this.jmolpopup.jpiShow (x, y); -} catch (e) { -JU.Logger.info (e.toString ()); -this.g.disablePopupMenu = true; -} -break; -case 'a': -case 'b': -case 'm': -if (this.getModelkit (false) == null) { -return; -}this.modelkit.jpiShow (x, y); -break; -} -}, "~N,~N,~S"); -Clazz_defineMethod (c$, "setRotateBondIndex", -function (i) { -if (this.modelkit != null) this.modelkit.setProperty ("rotateBondIndex", Integer.$valueOf (i)); -}, "~N"); -Clazz_defineMethod (c$, "getMenu", -function (type) { -this.getPopupMenu (); -if (type.equals ("\0")) { -this.popupMenu (this.screenWidth - 120, 0, 'j'); -return "OK"; -}return (this.jmolpopup == null ? "" : this.jmolpopup.jpiGetMenuAsString ("Jmol version " + JV.Viewer.getJmolVersion () + "|_GET_MENU|" + type)); -}, "~S"); -Clazz_defineMethod (c$, "getPopupMenu", - function () { -if (this.g.disablePopupMenu) return null; -if (this.jmolpopup == null) { -this.jmolpopup = (this.allowScripting ? this.apiPlatform.getMenuPopup (this.menuStructure, 'j') : null); -if (this.jmolpopup == null && !this.async) { -this.g.disablePopupMenu = true; -return null; -}}return this.jmolpopup.jpiGetMenuAsObject (); -}); -Clazz_overrideMethod (c$, "setMenu", -function (fileOrText, isFile) { -if (isFile) JU.Logger.info ("Setting menu " + (fileOrText.length == 0 ? "to Jmol defaults" : "from file " + fileOrText)); -if (fileOrText.length == 0) fileOrText = null; - else if (isFile) fileOrText = this.getFileAsString3 (fileOrText, false, null); -this.getProperty ("DATA_API", "setMenu", fileOrText); -this.sm.setCallbackFunction ("menu", fileOrText); -}, "~S,~B"); -Clazz_defineMethod (c$, "setStatusFrameChanged", -function (isVib, doNotify) { -if (isVib) { -this.prevFrame = -2147483648; -}this.tm.setVibrationPeriod (NaN); -var firstIndex = this.am.firstFrameIndex; -var lastIndex = this.am.lastFrameIndex; -var isMovie = this.am.isMovie; -var modelIndex = this.am.cmi; -if (firstIndex == lastIndex && !isMovie) modelIndex = firstIndex; -var frameID = this.getModelFileNumber (modelIndex); -var currentFrame = this.am.cmi; -var fileNo = frameID; -var modelNo = frameID % 1000000; -var firstNo = (isMovie ? firstIndex : this.getModelFileNumber (firstIndex)); -var lastNo = (isMovie ? lastIndex : this.getModelFileNumber (lastIndex)); -var strModelNo; -if (isMovie) { -strModelNo = "" + (currentFrame + 1); -} else if (fileNo == 0) { -strModelNo = this.getModelNumberDotted (firstIndex); -if (firstIndex != lastIndex) strModelNo += " - " + this.getModelNumberDotted (lastIndex); -if (Clazz_doubleToInt (firstNo / 1000000) == Clazz_doubleToInt (lastNo / 1000000)) fileNo = firstNo; -} else { -strModelNo = this.getModelNumberDotted (modelIndex); -}if (fileNo != 0) fileNo = (fileNo < 1000000 ? 1 : Clazz_doubleToInt (fileNo / 1000000)); -if (!isMovie) { -this.g.setI ("_currentFileNumber", fileNo); -this.g.setI ("_currentModelNumberInFile", modelNo); -}var currentMorphModel = this.am.currentMorphModel; -this.g.setI ("_currentFrame", currentFrame); -this.g.setI ("_morphCount", this.am.morphCount); -this.g.setF ("_currentMorphFrame", currentMorphModel); -this.g.setI ("_frameID", frameID); -this.g.setI ("_modelIndex", modelIndex); -this.g.setO ("_modelNumber", strModelNo); -this.g.setO ("_modelName", (modelIndex < 0 ? "" : this.getModelName (modelIndex))); -var title = (modelIndex < 0 ? "" : this.ms.getModelTitle (modelIndex)); -this.g.setO ("_modelTitle", title == null ? "" : title); -this.g.setO ("_modelFile", (modelIndex < 0 ? "" : this.ms.getModelFileName (modelIndex))); -this.g.setO ("_modelType", (modelIndex < 0 ? "" : this.ms.getModelFileType (modelIndex))); -if (currentFrame == this.prevFrame && currentMorphModel == this.prevMorphModel) return; -this.prevFrame = currentFrame; -this.prevMorphModel = currentMorphModel; -var entryName = this.getModelName (currentFrame); -if (isMovie) { -entryName = "" + (entryName === "" ? currentFrame + 1 : this.am.caf + 1) + ": " + entryName; -} else { -var script = "" + this.getModelNumberDotted (currentFrame); -if (!entryName.equals (script)) entryName = script + ": " + entryName; -}this.sm.setStatusFrameChanged (fileNo, modelNo, (this.am.animationDirection < 0 ? -firstNo : firstNo), (this.am.currentDirection < 0 ? -lastNo : lastNo), currentFrame, currentMorphModel, entryName); -if (this.doHaveJDX ()) this.getJSV ().setModel (modelIndex); -if (JV.Viewer.isJS) this.updateJSView (modelIndex, -1); -}, "~B,~B"); -Clazz_defineMethod (c$, "doHaveJDX", - function () { -return (this.haveJDX || (this.haveJDX = this.getBooleanProperty ("_JSpecView".toLowerCase ()))); -}); -Clazz_defineMethod (c$, "getJSV", -function () { -if (this.jsv == null) { -this.jsv = J.api.Interface.getOption ("jsv.JSpecView", this, "script"); -this.jsv.setViewer (this); -}return this.jsv; -}); -Clazz_defineMethod (c$, "getJDXBaseModelIndex", -function (modelIndex) { -if (!this.doHaveJDX ()) return modelIndex; -return this.getJSV ().getBaseModelIndex (modelIndex); -}, "~N"); -Clazz_defineMethod (c$, "getJspecViewProperties", -function (myParam) { -var o = this.sm.getJspecViewProperties ("" + myParam); -if (o != null) this.haveJDX = true; -return o; -}, "~O"); -Clazz_defineMethod (c$, "scriptEcho", -function (strEcho) { -if (!JU.Logger.isActiveLevel (4)) return; -{ -System.out.println(strEcho); -}this.sm.setScriptEcho (strEcho, this.isScriptQueued ()); -if (this.listCommands && strEcho != null && strEcho.indexOf ("$[") == 0) JU.Logger.info (strEcho); -}, "~S"); -Clazz_defineMethod (c$, "isScriptQueued", - function () { -return this.scm != null && this.scm.isScriptQueued (); -}); -Clazz_defineMethod (c$, "notifyError", -function (errType, errMsg, errMsgUntranslated) { -this.g.setO ("_errormessage", errMsgUntranslated); -this.sm.notifyError (errType, errMsg, errMsgUntranslated); -}, "~S,~S,~S"); -Clazz_defineMethod (c$, "jsEval", -function (strEval) { -return "" + this.sm.jsEval (strEval); -}, "~S"); -Clazz_defineMethod (c$, "jsEvalSV", -function (strEval) { -return JS.SV.getVariable (JV.Viewer.isJS ? this.sm.jsEval (strEval) : this.jsEval (strEval)); -}, "~S"); -Clazz_defineMethod (c$, "setFileLoadStatus", - function (ptLoad, fullPathName, fileName, modelName, strError, isAsync) { -this.setErrorMessage (strError, null); -this.g.setI ("_loadPoint", ptLoad.getCode ()); -var doCallback = (ptLoad !== J.c.FIL.CREATING_MODELSET); -if (doCallback) this.setStatusFrameChanged (false, false); -this.sm.setFileLoadStatus (fullPathName, fileName, modelName, strError, ptLoad.getCode (), doCallback, isAsync); -if (doCallback) { -if (this.doHaveJDX ()) this.getJSV ().setModel (this.am.cmi); -if (JV.Viewer.isJS) this.updateJSView (this.am.cmi, -2); -}}, "J.c.FIL,~S,~S,~S,~S,Boolean"); -Clazz_defineMethod (c$, "getZapName", -function () { -return (this.g.modelKitMode ? "Jmol Model Kit" : "zapped"); -}); -Clazz_defineMethod (c$, "setStatusMeasuring", -function (status, intInfo, strMeasure, value) { -this.sm.setStatusMeasuring (status, intInfo, strMeasure, value); -}, "~S,~N,~S,~N"); -Clazz_defineMethod (c$, "notifyMinimizationStatus", -function () { -var step = this.getP ("_minimizationStep"); -var ff = this.getP ("_minimizationForceField"); -this.sm.notifyMinimizationStatus (this.getP ("_minimizationStatus"), Clazz_instanceOf (step, String) ? Integer.$valueOf (0) : step, this.getP ("_minimizationEnergy"), (step.toString ().equals ("0") ? Float.$valueOf (0) : this.getP ("_minimizationEnergyDiff")), ff); -}); -Clazz_defineMethod (c$, "setStatusAtomPicked", -function (atomIndex, info, map, andSelect) { -if (andSelect) this.setSelectionSet (JU.BSUtil.newAndSetBit (atomIndex)); -if (info == null) { -info = this.g.pickLabel; -info = (info.length == 0 ? this.getAtomInfoXYZ (atomIndex, this.g.messageStyleChime) : this.ms.getAtomInfo (atomIndex, info, this.ptTemp)); -}this.setPicked (atomIndex, false); -if (atomIndex < 0) { -var m = this.getPendingMeasurement (); -if (m != null) info = info.substring (0, info.length - 1) + ",\"" + m.getString () + "\"]"; -}this.g.setO ("_pickinfo", info); -this.sm.setStatusAtomPicked (atomIndex, info, map); -if (atomIndex < 0) return; -var syncMode = this.sm.getSyncMode (); -if (syncMode == 1 && this.doHaveJDX ()) this.getJSV ().atomPicked (atomIndex); -if (JV.Viewer.isJS) this.updateJSView (this.ms.at[atomIndex].mi, atomIndex); -}, "~N,~S,java.util.Map,~B"); Clazz_defineMethod (c$, "setStatusDragDropped", function (mode, x, y, fileName) { if (mode == 0) { @@ -56445,8 +57106,6 @@ return false; Clazz_overrideMethod (c$, "getInt", function (tok) { switch (tok) { -case 553648147: -return this.g.infoFontSize; case 553648132: return this.am.animationFps; case 553648141: @@ -56455,6 +57114,8 @@ case 553648142: return this.g.dotScale; case 553648144: return this.g.helixStep; +case 553648147: +return this.g.infoFontSize; case 553648150: return this.g.meshScale; case 553648153: @@ -56526,17 +57187,19 @@ case 603979811: return this.g.cartoonSteps; case 603979810: return this.g.cartoonBlocks; +case 603979821: +return this.g.checkCIR; case 603979812: return this.g.bondModeOr; -case 603979816: +case 603979815: return this.g.cartoonBaseEdges; -case 603979817: +case 603979816: return this.g.cartoonFancy; -case 603979818: +case 603979817: return this.g.cartoonLadders; -case 603979819: +case 603979818: return this.g.cartoonRibose; -case 603979820: +case 603979819: return this.g.cartoonRockets; case 603979822: return this.g.chainCaseSensitive || this.chainCaseSpecified; @@ -56644,8 +57307,8 @@ case 603979940: return this.g.slabByMolecule; case 603979944: return this.g.smartAromatic; -case 1612709912: -return this.g.solventOn; +case 603979948: +return this.g.dotSolvent; case 603979952: return this.g.ssbondsBackbone; case 603979955: @@ -56703,20 +57366,22 @@ case 570425346: return this.g.axesScale; case 570425348: return this.g.bondTolerance; -case 570425354: +case 570425353: return this.g.defaultTranslucent; case 570425352: return this.g.defaultDrawArrowScale; -case 570425355: +case 570425354: return this.g.dipoleScale; -case 570425356: +case 570425355: return this.g.drawFontSize; -case 570425358: +case 570425357: return this.g.exportScale; -case 570425360: +case 570425359: return this.g.hbondsAngleMinimum; case 570425361: -return this.g.hbondsDistanceMaximum; +return this.g.hbondHXDistanceMaximum; +case 570425360: +return this.g.hbondNODistanceMaximum; case 570425363: return this.g.loadAtomDataTolerance; case 570425364: @@ -56802,7 +57467,7 @@ case 545259558: this.setUnits (value, false); return; case 545259560: -this.g.forceField = value = ("UFF".equalsIgnoreCase (value) ? "UFF" : "MMFF"); +this.g.forceField = value = ("UFF".equalsIgnoreCase (value) ? "UFF" : "UFF2D".equalsIgnoreCase (value) ? "UFF2D" : "MMFF2D".equalsIgnoreCase (value) ? "MMFF2D" : "MMFF"); this.minimizer = null; break; case 545259571: @@ -56969,10 +57634,10 @@ break; case 570425381: this.g.particleRadius = Math.abs (value); break; -case 570425356: +case 570425355: this.g.drawFontSize = value; break; -case 570425358: +case 570425357: this.g.exportScale = value; break; case 570425403: @@ -56990,7 +57655,7 @@ break; case 570425365: this.g.minimizationCriterion = value; break; -case 570425359: +case 570425358: if (this.haveDisplay) this.acm.setGestureSwipeFactor (value); break; case 570425367: @@ -57021,11 +57686,14 @@ break; case 570425363: this.g.loadAtomDataTolerance = value; break; -case 570425360: +case 570425359: this.g.hbondsAngleMinimum = value; break; case 570425361: -this.g.hbondsDistanceMaximum = value; +this.g.hbondHXDistanceMaximum = value; +break; +case 570425360: +this.g.hbondNODistanceMaximum = value; break; case 570425382: this.g.pointGroupDistanceTolerance = value; @@ -57033,7 +57701,7 @@ break; case 570425384: this.g.pointGroupLinearTolerance = value; break; -case 570425357: +case 570425356: this.g.ellipsoidAxisDiameter = value; break; case 570425398: @@ -57051,7 +57719,7 @@ break; case 570425352: this.g.defaultDrawArrowScale = value; break; -case 570425354: +case 570425353: this.g.defaultTranslucent = value; break; case 570425345: @@ -57086,7 +57754,7 @@ break; case 570425392: this.g.sheetSmoothing = value; break; -case 570425355: +case 570425354: value = JV.Viewer.checkFloatRange (value, -10, 10); this.g.dipoleScale = value; break; @@ -57337,6 +58005,11 @@ Clazz_defineMethod (c$, "setBooleanPropertyTok", function (key, tok, value) { var doRepaint = true; switch (tok) { +case 603979821: +this.g.checkCIR = value; +if (value) { +this.checkCIR (true); +}break; case 603979823: this.g.cipRule6Full = value; break; @@ -57383,7 +58056,7 @@ break; case 603979811: this.g.cartoonSteps = value; break; -case 603979819: +case 603979818: this.g.cartoonRibose = value; break; case 603979837: @@ -57392,7 +58065,7 @@ break; case 603979967: this.g.translucent = value; break; -case 603979818: +case 603979817: this.g.cartoonLadders = value; break; case 603979968: @@ -57400,10 +58073,10 @@ var b = this.g.twistedSheets; this.g.twistedSheets = value; if (b != value) this.checkCoordinatesChanged (); break; -case 603979821: +case 603979820: this.gdata.setCel (value); break; -case 603979817: +case 603979816: this.g.cartoonFancy = value; break; case 603979934: @@ -57592,10 +58265,10 @@ this.setFrankOn (value); break; case 1612709912: key = "solventProbe"; -this.g.solventOn = value; +this.g.dotSolvent = value; break; case 603979948: -this.g.solventOn = value; +this.g.dotSolvent = value; break; case 603979785: this.g.allowRotateSelected = value; @@ -57723,10 +58396,10 @@ break; case 603979901: this.g.ribbonBorder = value; break; -case 603979816: +case 603979815: this.g.cartoonBaseEdges = value; break; -case 603979820: +case 603979819: this.g.cartoonRockets = value; break; case 603979902: @@ -57826,22 +58499,29 @@ this.setPickingMode (null, value ? 33 : 1); this.setPickingMode (null, value ? 32 : 1); }var isChange = (this.g.modelKitMode != value); this.g.modelKitMode = value; +this.g.setB ("modelkitmode", value); this.highlight (null); if (value) { +var kit = this.getModelkit (false); this.setNavigationMode (false); this.selectAll (); -this.getModelkit (false).setProperty ("atomType", "C"); -this.getModelkit (false).setProperty ("bondType", "p"); -if (!this.isApplet) this.popupMenu (0, 0, 'm'); -if (isChange) this.sm.setCallbackFunction ("modelkit", "ON"); +kit.setProperty ("atomType", "C"); +kit.setProperty ("bondType", "p"); +if (!this.isApplet) this.popupMenu (10, 0, 'm'); +if (isChange) this.sm.setStatusModelKit (1); this.g.modelKitMode = true; if (this.ms.ac == 0) this.zap (false, true, true); -} else { + else if (this.am.cmi >= 0 && this.getModelUndeletedAtomsBitSet (this.am.cmi).isEmpty ()) { +var htParams = new java.util.Hashtable (); +htParams.put ("appendToModelIndex", Integer.$valueOf (this.am.cmi)); +this.loadDefaultModelKitModel (htParams); +}} else { this.acm.setPickingMode (-1); this.setStringProperty ("pickingStyle", "toggle"); this.setBooleanProperty ("bondPicking", false); -if (isChange) this.sm.setCallbackFunction ("modelkit", "OFF"); -}}, "~B"); +if (isChange) { +this.sm.setStatusModelKit (0); +}}}, "~B"); Clazz_defineMethod (c$, "setSmilesString", function (s) { if (s == null) this.g.removeParam ("_smilesString"); @@ -57888,10 +58568,6 @@ function () { if (!this.g.navigationMode) return false; return (this.tm.isNavigating () && !this.g.hideNavigationPoint || this.g.showNavigationPointAlways || this.getInMotion (true)); }); -Clazz_defineMethod (c$, "getCurrentSolventProbeRadius", -function () { -return this.g.solventOn ? this.g.solventProbeRadius : 0; -}); Clazz_overrideMethod (c$, "setPerspectiveDepth", function (perspectiveDepth) { this.tm.setPerspectiveDepth (perspectiveDepth); @@ -58162,61 +58838,6 @@ Clazz_defineMethod (c$, "getModelFileInfoAll", function () { return this.getPropertyManager ().getModelFileInfo (null); }); -Clazz_overrideMethod (c$, "getProperty", -function (returnType, infoType, paramInfo) { -if (!"DATA_API".equals (returnType)) return this.getPropertyManager ().getProperty (returnType, infoType, paramInfo); -switch (("scriptCheck.........consoleText.........scriptEditor........scriptEditorState...getAppConsole.......getScriptEditor.....setMenu.............spaceGroupInfo......disablePopupMenu....defaultDirectory....getPopupMenu........shapeManager........getPreference.......").indexOf (infoType)) { -case 0: -return this.scriptCheckRet (paramInfo, true); -case 20: -return (this.appConsole == null ? "" : this.appConsole.getText ()); -case 40: -this.showEditor (paramInfo); -return null; -case 60: -this.scriptEditorVisible = (paramInfo).booleanValue (); -return null; -case 80: -if (this.$isKiosk) { -this.appConsole = null; -} else if (Clazz_instanceOf (paramInfo, J.api.JmolAppConsoleInterface)) { -this.appConsole = paramInfo; -} else if (paramInfo != null && !(paramInfo).booleanValue ()) { -this.appConsole = null; -} else if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { -if (JV.Viewer.isJS) { -this.appConsole = J.api.Interface.getOption ("consolejs.AppletConsole", this, "script"); -}{ -}if (this.appConsole != null) this.appConsole.start (this); -}this.scriptEditor = (JV.Viewer.isJS || this.appConsole == null ? null : this.appConsole.getScriptEditor ()); -return this.appConsole; -case 100: -if (this.appConsole == null && paramInfo != null && (paramInfo).booleanValue ()) { -this.getProperty ("DATA_API", "getAppConsole", Boolean.TRUE); -this.scriptEditor = (this.appConsole == null ? null : this.appConsole.getScriptEditor ()); -}return this.scriptEditor; -case 120: -if (this.jmolpopup != null) this.jmolpopup.jpiDispose (); -this.jmolpopup = null; -return this.menuStructure = paramInfo; -case 140: -return this.getSymTemp ().getSpaceGroupInfo (this.ms, null, -1, false, null); -case 160: -this.g.disablePopupMenu = true; -return null; -case 180: -return this.g.defaultDirectory; -case 200: -if (Clazz_instanceOf (paramInfo, String)) return this.getMenu (paramInfo); -return this.getPopupMenu (); -case 220: -return this.shm.getProperty (paramInfo); -case 240: -return this.sm.syncSend ("getPreference", paramInfo, 1); -} -JU.Logger.error ("ERROR in getProperty DATA_API: " + infoType); -return null; -}, "~S,~S,~O"); Clazz_defineMethod (c$, "showEditor", function (file_text) { var scriptEditor = this.getProperty ("DATA_API", "getScriptEditor", Boolean.TRUE); @@ -58232,17 +58853,6 @@ Clazz_defineMethod (c$, "setTainted", function (TF) { this.isTainted = this.axesAreTainted = (TF && (this.refreshing || this.creatingImage)); }, "~B"); -Clazz_defineMethod (c$, "notifyMouseClicked", -function (x, y, action, mode) { -var modifiers = JV.binding.Binding.getButtonMods (action); -var clickCount = JV.binding.Binding.getClickCount (action); -this.g.setI ("_mouseX", x); -this.g.setI ("_mouseY", this.screenHeight - y); -this.g.setI ("_mouseAction", action); -this.g.setI ("_mouseModifiers", modifiers); -this.g.setI ("_clickCount", clickCount); -return this.sm.setStatusClicked (x, this.screenHeight - y, action, clickCount, mode); -}, "~N,~N,~N,~N"); Clazz_defineMethod (c$, "checkObjectClicked", function (x, y, modifiers) { return this.shm.checkObjectClicked (x, y, modifiers, this.getVisibleFramesBitSet (), this.g.drawPicking); @@ -58591,8 +59201,7 @@ var pt = molFile.indexOf ("\n"); if (pt < 0) return null; molFile = "Jmol " + JV.Viewer.version_date + molFile.substring (pt); if (this.isApplet) { -{ -}this.showUrl (this.g.nmrUrlFormat + molFile); +this.showUrl (this.g.nmrUrlFormat + molFile); return "opening " + this.g.nmrUrlFormat; }}this.syncScript ("true", "*", 0); this.syncScript (type + "Simulate:", ".", 0); @@ -58729,11 +59338,6 @@ Clazz_overrideMethod (c$, "outputToFile", function (params) { return this.getOutputManager ().outputToFile (params); }, "java.util.Map"); -Clazz_defineMethod (c$, "getOutputManager", - function () { -if (this.outputManager != null) return this.outputManager; -return (this.outputManager = J.api.Interface.getInterface ("JV.OutputManager" + (JV.Viewer.isJS ? "JS" : "Awt"), this, "file")).setViewer (this, this.privateKey); -}); Clazz_defineMethod (c$, "setSyncTarget", function (mode, TF) { switch (mode) { @@ -58837,25 +59441,32 @@ function (bsAtoms, fullModels) { var atomIndex = (bsAtoms == null ? -1 : bsAtoms.nextSetBit (0)); if (atomIndex < 0) return 0; this.clearModelDependentObjects (); +var a = this.ms.at[atomIndex]; +if (a == null) return 0; +var mi = a.mi; if (!fullModels) { -this.sm.modifySend (atomIndex, this.ms.at[atomIndex].mi, 4, "deleting atom " + this.ms.at[atomIndex].getAtomName ()); +this.sm.modifySend (atomIndex, a.mi, 4, "deleting atom " + a.getAtomName ()); this.ms.deleteAtoms (bsAtoms); var n = this.slm.deleteAtoms (bsAtoms); this.setTainted (true); -this.sm.modifySend (atomIndex, this.ms.at[atomIndex].mi, -4, "OK"); +this.sm.modifySend (atomIndex, mi, -4, "OK"); return n; -}return this.deleteModels (this.ms.at[atomIndex].mi, bsAtoms); +}return this.deleteModels (mi, bsAtoms); }, "JU.BS,~B"); Clazz_defineMethod (c$, "deleteModels", function (modelIndex, bsAtoms) { this.clearModelDependentObjects (); this.sm.modifySend (-1, modelIndex, 5, "deleting model " + this.getModelNumberDotted (modelIndex)); +var currentModel = this.am.cmi; this.setCurrentModelIndexClear (0, false); this.am.setAnimationOn (false); var bsD0 = JU.BSUtil.copy (this.slm.bsDeleted); var bsModels = (bsAtoms == null ? JU.BSUtil.newAndSetBit (modelIndex) : this.ms.getModelBS (bsAtoms, false)); var bsDeleted = this.ms.deleteModels (bsModels); -this.slm.processDeletedModelAtoms (bsDeleted); +if (bsDeleted == null) { +this.setCurrentModelIndexClear (currentModel, false); +return 0; +}this.slm.processDeletedModelAtoms (bsDeleted); if (this.eval != null) this.eval.deleteAtomsInVariables (bsDeleted); this.setAnimationRange (0, 0); this.clearRepaintManager (-1); @@ -58888,7 +59499,8 @@ function () { return this.g.quaternionFrame.charAt (this.g.quaternionFrame.length == 2 ? 1 : 0); }); Clazz_defineMethod (c$, "loadImageData", -function (image, nameOrError, echoName, sc) { +function (image, nameOrError, echoName, sco) { +var sc = sco; if (image == null && nameOrError != null) this.scriptEcho (nameOrError); if (echoName == null) { this.setBackgroundImage ((image == null ? null : nameOrError), image); @@ -58905,7 +59517,7 @@ if (image != null) this.setShapeProperty (31, "image", image); sc.mustResumeEval = true; this.eval.resumeEval (sc); }return false; -}, "~O,~S,~S,JS.ScriptContext"); +}, "~O,~S,~S,~O"); Clazz_defineMethod (c$, "cd", function (dir) { if (dir == null) { @@ -58955,7 +59567,6 @@ this.setCursor (0); this.setBooleanProperty ("refreshing", true); this.fm.setPathForAllFiles (""); JU.Logger.error ("vwr handling error condition: " + er + " "); -if (!JV.Viewer.isJS) er.printStackTrace (); this.notifyError ("Error", "doClear=" + doClear + "; " + er, "" + er); } catch (e1) { try { @@ -58983,7 +59594,7 @@ var $function = (JV.Viewer.isStaticFunction (name) ? JV.Viewer.staticFunctions : return ($function == null || $function.geTokens () == null ? null : $function); }, "~S"); c$.isStaticFunction = Clazz_defineMethod (c$, "isStaticFunction", - function (name) { +function (name) { return name.startsWith ("static_"); }, "~S"); Clazz_defineMethod (c$, "isFunction", @@ -59054,7 +59665,7 @@ Clazz_defineMethod (c$, "checkMinimization", this.refreshMeasures (true); if (!this.g.monitorEnergy) return; try { -this.minimize (null, 0, 0, this.getAllAtoms (), null, 0, false, false, true, false); +this.minimize (null, 0, 0, this.getAllAtoms (), null, 0, 1); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { } else { @@ -59064,31 +59675,59 @@ throw e; this.echoMessage (this.getP ("_minimizationForceField") + " Energy = " + this.getP ("_minimizationEnergy")); }); Clazz_defineMethod (c$, "minimize", -function (eval, steps, crit, bsSelected, bsFixed, rangeFixed, addHydrogen, isOnly, isSilent, isLoad2D) { +function (eval, steps, crit, bsSelected, bsFixed, rangeFixed, flags) { +var isSilent = (flags & 1) == 1; +var isQuick = (flags & 4) == 4; +var hasRange = (flags & 16) == 0; +var addHydrogen = (flags & 8) == 8; var ff = this.g.forceField; var bsInFrame = this.getFrameAtoms (); -if (bsSelected == null) bsSelected = this.getModelUndeletedAtomsBitSet (this.getVisibleFramesBitSet ().length () - 1); - else bsSelected.and (bsInFrame); -if (rangeFixed <= 0) rangeFixed = 5.0; +if (bsSelected == null) bsSelected = this.getModelUndeletedAtomsBitSet (this.getVisibleFramesBitSet ().nextSetBit (0)); + else if (!isQuick) bsSelected.and (bsInFrame); +if (isQuick) { +this.getAuxiliaryInfoForAtoms (bsSelected).put ("dimension", "3D"); +bsInFrame = bsSelected; +}if (rangeFixed <= 0) rangeFixed = 5.0; var bsMotionFixed = JU.BSUtil.copy (bsFixed == null ? this.slm.getMotionFixedAtoms () : bsFixed); var haveFixed = (bsMotionFixed.cardinality () > 0); if (haveFixed) bsSelected.andNot (bsMotionFixed); -var bsNearby = (isOnly ? new JU.BS () : this.ms.getAtomsWithinRadius (rangeFixed, bsSelected, true, null)); +var bsNearby = (hasRange ? new JU.BS () : this.ms.getAtomsWithinRadius (rangeFixed, bsSelected, true, null)); bsNearby.andNot (bsSelected); if (haveFixed) { bsMotionFixed.and (bsNearby); } else { bsMotionFixed = bsNearby; }bsMotionFixed.and (bsInFrame); -if (addHydrogen) bsSelected.or (this.addHydrogens (bsSelected, isLoad2D, isSilent)); -var n = bsSelected.cardinality (); +flags |= ((haveFixed ? 2 : 0) | (this.getBooleanProperty ("minimizationSilent") ? 1 : 0)); +if (isQuick && this.getBoolean (603979962)) return; +if (isQuick) { +{ +try { +if (!isSilent) JU.Logger.info ("Minimizing " + bsSelected.cardinality () + " atoms"); +this.getMinimizer (true).minimize (steps, crit, bsSelected, bsMotionFixed, flags, "UFF"); +} catch (e) { +if (Clazz_exceptionOf (e, Exception)) { +JU.Logger.error ("Minimization error: " + e.toString ()); +e.printStackTrace (); +} else { +throw e; +} +} +}}if (addHydrogen) { +var bsH = this.addHydrogens (bsSelected, flags); +if (!isQuick) bsSelected.or (bsH); +}var n = bsSelected.cardinality (); if (ff.equals ("MMFF") && n > this.g.minimizationMaxAtoms) { this.scriptStatusMsg ("Too many atoms for minimization (" + n + ">" + this.g.minimizationMaxAtoms + "); use 'set minimizationMaxAtoms' to increase this limit", "minimization: too many atoms"); return; }try { if (!isSilent) JU.Logger.info ("Minimizing " + bsSelected.cardinality () + " atoms"); -this.getMinimizer (true).minimize (steps, crit, bsSelected, bsMotionFixed, haveFixed, isSilent, ff); -} catch (e$$) { +this.getMinimizer (true).minimize (steps, crit, bsSelected, bsMotionFixed, flags, (isQuick ? "MMFF" : ff)); +if (isQuick) { +this.g.forceField = "MMFF"; +this.setHydrogens (bsSelected); +this.showString ("Minimized by Jmol", false); +}} catch (e$$) { if (Clazz_exceptionOf (e$$, JV.JmolAsyncException)) { var e = e$$; { @@ -59098,13 +59737,31 @@ if (eval != null) eval.loadFileResourceAsync (e.getFileName ()); var e = e$$; { JU.Logger.error ("Minimization error: " + e.toString ()); -if (!JV.Viewer.isJS) e.printStackTrace (); +e.printStackTrace (); } } else { throw e$$; } } -}, "J.api.JmolScriptEvaluator,~N,~N,JU.BS,JU.BS,~N,~B,~B,~B,~B"); +}, "J.api.JmolScriptEvaluator,~N,~N,JU.BS,JU.BS,~N,~N"); +Clazz_defineMethod (c$, "setHydrogens", + function (bsAtoms) { +var nTotal = Clazz_newIntArray (1, 0); +var hatoms = this.ms.calculateHydrogens (bsAtoms, nTotal, null, 2052); +for (var i = bsAtoms.nextSetBit (0); i >= 0; i = bsAtoms.nextSetBit (i + 1)) { +var pts = hatoms[i]; +if (pts == null || pts.length == 0) continue; +var a = this.ms.at[i]; +var b = a.bonds; +for (var j = 0, pt = 0, n = a.getBondCount (); j < n; j++) { +var h = b[j].getOtherAtom (a); +if (h.getAtomicAndIsotopeNumber () == 1) { +var p = pts[pt++]; +this.ms.setAtomCoord (h.i, p.x, p.y, p.z); +}} +} +this.ms.resetMolecules (); +}, "JU.BS"); Clazz_defineMethod (c$, "setMotionFixedAtoms", function (bs) { this.slm.setMotionFixedAtoms (bs); @@ -59206,8 +59863,7 @@ this.setShapeProperty (6, "delete", Integer.$valueOf (i)); }, "~N"); Clazz_overrideMethod (c$, "getSmiles", function (bs) { -var is2D = ("2D".equals (this.ms.getInfoM ("dimension"))); -return this.getSmilesOpt (bs, -1, -1, (bs == null && JU.Logger.debugging ? 131072 : 0) | (is2D ? 32 : 0), null); +return this.getSmilesOpt (bs, -1, -1, (bs == null && JU.Logger.debugging ? 131072 : 0), null); }, "JU.BS"); Clazz_overrideMethod (c$, "getOpenSmiles", function (bs) { @@ -59234,12 +59890,18 @@ index2 = i; index2 = atoms[index2].group.lastAtomIndex; }bsSelected = new JU.BS (); bsSelected.setBits (index1, index2 + 1); -}}var sm = this.getSmilesMatcher (); +}}flags |= (this.isModel2D (bsSelected) ? 134217728 : 0); +var sm = this.getSmilesMatcher (); if (JV.JC.isSmilesCanonical (options)) { var smiles = sm.getSmiles (atoms, this.ms.ac, bsSelected, "/noAromatic/", flags); return this.getChemicalInfo (smiles, "smiles", null).trim (); }return sm.getSmiles (atoms, this.ms.ac, bsSelected, bioComment, flags); }, "JU.BS,~N,~N,~N,~S"); +Clazz_defineMethod (c$, "isModel2D", + function (bs) { +var m = this.getModelForAtomIndex (bs.nextSetBit (0)); +return (m != null && "2D".equals (m.auxiliaryInfo.get ("dimension"))); +}, "JU.BS"); Clazz_defineMethod (c$, "alert", function (msg) { this.prompt (msg, null, null, true); @@ -59317,7 +59979,7 @@ if (p.tok != 10 || !(p.value).get (atomIndex)) pickedList.pushPop (null, JS.SV.n }, "~N,~B"); Clazz_overrideMethod (c$, "runScript", function (script) { -return "" + this.evaluateExpression ( Clazz_newArray (-1, [ Clazz_newArray (-1, [JS.T.t (134222850), JS.T.t (268435472), JS.SV.newS (script), JS.T.t (268435473)])])); +return "" + this.evaluateExpression ( Clazz_newArray (-1, [ Clazz_newArray (-1, [JS.T.tokenScript, JS.T.tokenLeftParen, JS.SV.newS (script), JS.T.tokenRightParen])])); }, "~S"); Clazz_overrideMethod (c$, "runScriptCautiously", function (script) { @@ -59380,7 +60042,7 @@ return this.ms.getPartialCharges (); }, "JU.BS,JU.BS"); Clazz_defineMethod (c$, "calculatePartialCharges", function (bsSelected) { -if (bsSelected == null || bsSelected.isEmpty ()) bsSelected = this.getModelUndeletedAtomsBitSetBs (this.getVisibleFramesBitSet ()); +if (bsSelected == null || bsSelected.isEmpty ()) bsSelected = this.getFrameAtoms (); if (bsSelected.isEmpty ()) return; JU.Logger.info ("Calculating MMFF94 partial charges for " + bsSelected.cardinality () + " atoms"); this.getMinimizer (true).calculatePartialCharges (this.ms, bsSelected, null); @@ -59418,7 +60080,7 @@ this.setAnimationOn (false); }); Clazz_defineMethod (c$, "getEvalContextAndHoldQueue", function (eval) { -if (eval == null || !JV.Viewer.isJS && !this.testAsync) return null; +if (eval == null || !(JV.Viewer.isJS || this.testAsync)) return null; eval.pushContextDown ("getEvalContextAndHoldQueue"); var sc = eval.getThisContext (); sc.setMustResume (); @@ -59426,12 +60088,6 @@ sc.isJSThread = true; this.queueOnHold = true; return sc; }, "J.api.JmolScriptEvaluator"); -Clazz_overrideMethod (c$, "resizeInnerPanel", -function (width, height) { -if (!this.autoExit && this.haveDisplay) return this.sm.resizeInnerPanel (width, height); -this.setScreenDimension (width, height); -return Clazz_newIntArray (-1, [this.screenWidth, this.screenHeight]); -}, "~N,~N"); Clazz_defineMethod (c$, "getDefaultPropertyParam", function (propertyID) { return this.getPropertyManager ().getDefaultPropertyParam (propertyID); @@ -59449,21 +60105,21 @@ function (property, args, pt) { return this.getPropertyManager ().extractProperty (property, args, pt, null, false); }, "~O,~O,~N"); Clazz_defineMethod (c$, "addHydrogens", -function (bsAtoms, is2DLoad, isSilent) { +function (bsAtoms, flags) { +var isSilent = ((flags & 1) == 1); +var isQuick = ((flags & 4) == 4); var doAll = (bsAtoms == null); if (bsAtoms == null) bsAtoms = this.getModelUndeletedAtomsBitSet (this.getVisibleFramesBitSet ().length () - 1); var bsB = new JU.BS (); if (bsAtoms.isEmpty ()) return bsB; -var modelIndex = this.ms.at[bsAtoms.nextSetBit (0)].mi; -if (modelIndex != this.ms.mc - 1) return bsB; var vConnections = new JU.Lst (); -var pts = this.getAdditionalHydrogens (bsAtoms, doAll, false, vConnections); +var pts = this.getAdditionalHydrogens (bsAtoms, vConnections, flags | (doAll ? 256 : 0)); var wasAppendNew = false; wasAppendNew = this.g.appendNew; if (pts.length > 0) { this.clearModelDependentObjects (); try { -bsB = (is2DLoad ? this.ms.addHydrogens (vConnections, pts) : this.addHydrogensInline (bsAtoms, vConnections, pts)); +bsB = (isQuick ? this.ms.addHydrogens (vConnections, pts) : this.addHydrogensInline (bsAtoms, vConnections, pts)); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { System.out.println (e.toString ()); @@ -59474,7 +60130,7 @@ throw e; if (wasAppendNew) this.g.appendNew = true; }if (!isSilent) this.scriptStatus (J.i18n.GT.i (J.i18n.GT.$ ("{0} hydrogens added"), pts.length)); return bsB; -}, "JU.BS,~B,~B"); +}, "JU.BS,~N"); Clazz_defineMethod (c$, "addHydrogensInline", function (bsAtoms, vConnections, pts) { if (this.getScriptManager () == null) return null; @@ -59495,7 +60151,7 @@ Clazz_overrideMethod (c$, "evaluateExpression", function (stringOrTokens) { return (this.getScriptManager () == null ? null : this.eval.evaluateExpression (stringOrTokens, false, false)); }, "~O"); -Clazz_defineMethod (c$, "evaluateExpressionAsVariable", +Clazz_overrideMethod (c$, "evaluateExpressionAsVariable", function (stringOrTokens) { return (this.getScriptManager () == null ? null : this.eval.evaluateExpression (stringOrTokens, true, false)); }, "~O"); @@ -59550,9 +60206,11 @@ if (iboxed != null) return iboxed.intValue (); var i = id.charCodeAt (0); if (id.length > 1) { i = 300 + this.chainList.size (); -} else if (isAssign && 97 <= i && i <= 122) { +} else if ((isAssign || this.chainCaseSpecified) && 97 <= i && i <= 122) { i += 159; }if (i >= 256) { +iboxed = this.chainMap.get (id); +if (iboxed != null) return iboxed.intValue (); this.chainCaseSpecified = new Boolean (this.chainCaseSpecified | isAssign).valueOf (); this.chainList.addLast (id); }iboxed = Integer.$valueOf (i); @@ -59671,22 +60329,19 @@ Clazz_defineMethod (c$, "getAtomValidation", function (type, atom) { return this.getAnnotationParser (false).getAtomValidation (this, type, atom); }, "~S,JM.Atom"); -Clazz_defineMethod (c$, "getJzt", -function () { -return (this.jzt == null ? this.jzt = J.api.Interface.getInterface ("JU.ZipTools", this, "zip") : this.jzt); -}); Clazz_defineMethod (c$, "dragMinimizeAtom", function (iAtom) { this.stopMinimization (); var bs = (this.getMotionFixedAtoms ().isEmpty () ? this.ms.getAtoms ((this.ms.isAtomPDB (iAtom) ? 1086324742 : 1094713360), JU.BSUtil.newAndSetBit (iAtom)) : JU.BSUtil.setAll (this.ms.ac)); try { -this.minimize (null, 2147483647, 0, bs, null, 0, false, false, false, false); +this.minimize (null, 2147483647, 0, bs, null, 0, 0); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { if (!this.async) return; +var me = this; +var r = ((Clazz_isClassDefined ("JV.Viewer$1") ? 0 : JV.Viewer.$Viewer$1$ ()), Clazz_innerTypeInstance (JV.Viewer$1, this, Clazz_cloneFinals ("me", me, "iAtom", iAtom))); { -var me = this; setTimeout(function() -{me.dragMinimizeAtom(iAtom)}, 100); +setTimeout(function(){r.run()}, 100); }} else { throw e; } @@ -59714,7 +60369,7 @@ return (this.jsonParser == null ? this.jsonParser = J.api.Interface.getInterface }); Clazz_defineMethod (c$, "parseJSON", function (str) { -return (str == null ? null : str.startsWith ("{") ? this.parseJSONMap (str) : this.parseJSONArray (str)); +return (str == null ? null : (str = str.trim ()).startsWith ("{") ? this.parseJSONMap (str) : this.parseJSONArray (str)); }, "~S"); Clazz_defineMethod (c$, "parseJSONMap", function (jsonMap) { @@ -59778,14 +60433,6 @@ Clazz_defineMethod (c$, "getSubstructureSetArrayForNodes", function (pattern, nodes, flags) { return this.getSmilesMatcher ().getSubstructureSetArray (pattern, nodes, nodes.length, null, null, flags); }, "~S,~A,~N"); -Clazz_defineMethod (c$, "getPdbID", -function () { -return (this.ms.getInfo (this.am.cmi, "isPDB") === Boolean.TRUE ? this.ms.getInfo (this.am.cmi, "pdbID") : null); -}); -Clazz_defineMethod (c$, "getModelInfo", -function (key) { -return this.ms.getInfo (this.am.cmi, key); -}, "~S"); Clazz_defineMethod (c$, "getSmilesAtoms", function (smiles) { return this.getSmilesMatcher ().getAtoms (smiles); @@ -59802,24 +60449,14 @@ throw e; } } }, "~S"); -Clazz_defineMethod (c$, "getModelForAtomIndex", -function (iatom) { -return this.ms.am[this.ms.at[iatom].mi]; -}, "~N"); -Clazz_defineMethod (c$, "assignAtom", -function (atomIndex, element, ptNew) { -if (atomIndex < 0) atomIndex = this.atomHighlighted; -if (this.ms.isAtomInLastModel (atomIndex)) { -this.script ("assign atom ({" + atomIndex + "}) \"" + element + "\" " + (ptNew == null ? "" : JU.Escape.eP (ptNew))); -}}, "~N,~S,JU.P3"); -Clazz_defineMethod (c$, "getModelkit", -function (andShow) { -if (this.modelkit == null) { -this.modelkit = this.apiPlatform.getMenuPopup (null, 'm'); -} else if (andShow) { -this.modelkit.jpiUpdateComputedMenus (); -}return this.modelkit; -}, "~B"); +Clazz_defineMethod (c$, "getPdbID", +function () { +return (this.ms.getInfo (this.am.cmi, "isPDB") === Boolean.TRUE ? this.ms.getInfo (this.am.cmi, "pdbID") : null); +}); +Clazz_defineMethod (c$, "getModelInfo", +function (key) { +return this.ms.getInfo (this.am.cmi, key); +}, "~S"); Clazz_defineMethod (c$, "notifyScriptEditor", function (msWalltime, data) { if (this.scriptEditor != null) { @@ -59838,18 +60475,19 @@ function (key, value) { return (this.modelkit == null ? null : this.modelkit.setProperty (key, value)); }, "~S,~O"); Clazz_defineMethod (c$, "getSymmetryInfo", -function (iatom, xyz, iOp, pt1, pt2, type, desc, scaleFactor, nth, options) { +function (iatom, xyz, iOp, translation, pt1, pt2, type, desc, scaleFactor, nth, options) { try { -return this.getSymTemp ().getSymmetryInfoAtom (this.ms, iatom, xyz, iOp, pt1, pt2, desc, type, scaleFactor, nth, options); +return this.getSymTemp ().getSymmetryInfoAtom (this.ms, iatom, xyz, iOp, translation, pt1, pt2, desc, type, scaleFactor, nth, options); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { System.out.println ("Exception in Viewer.getSymmetryInfo: " + e); +if (!JV.Viewer.isJS) e.printStackTrace (); return null; } else { throw e; } } -}, "~N,~S,~N,JU.P3,JU.P3,~N,~S,~N,~N,~N"); +}, "~N,~S,~N,JU.P3,JU.P3,JU.P3,~N,~S,~N,~N,~N"); Clazz_defineMethod (c$, "setModelKitRotateBondIndex", function (i) { if (this.modelkit != null) { @@ -59878,12 +60516,50 @@ return s.toString (); }key = key.toLowerCase (); return this.macros.containsKey (key) ? (this.macros.get (key)).get ("path").toString () : null; }, "~S"); +Clazz_defineMethod (c$, "getInchi", +function (atoms, molData, options) { +try { +var inch = this.apiPlatform.getInChI (); +if (atoms == null && molData == null) return ""; +if (molData != null) { +if (molData.startsWith ("$") || molData.startsWith (":")) { +molData = this.getFileAsString4 (molData, -1, false, false, true, "script"); +} else if (!molData.startsWith ("InChI=") && molData.indexOf (" ") < 0) { +molData = this.getFileAsString4 ("$" + molData, -1, false, false, true, "script"); +}}return inch.getInchi (this, atoms, molData, options); +} catch (t) { +return ""; +} +}, "JU.BS,~S,~S"); +Clazz_defineMethod (c$, "getConsoleFontScale", +function () { +return this.consoleFontScale; +}); +Clazz_defineMethod (c$, "setConsoleFontScale", +function (scale) { +this.consoleFontScale = scale; +}, "~N"); +Clazz_defineMethod (c$, "confirm", +function (msg, msgNo) { +return this.apiPlatform.confirm (msg, msgNo); +}, "~S,~S"); Clazz_pu$h(self.c$); c$ = Clazz_declareType (JV.Viewer, "ACCESS", Enum); Clazz_defineEnumConstant (c$, "NONE", 0, []); Clazz_defineEnumConstant (c$, "READSPT", 1, []); Clazz_defineEnumConstant (c$, "ALL", 2, []); c$ = Clazz_p0p (); +c$.$Viewer$1$ = function () { +Clazz_pu$h(self.c$); +c$ = Clazz_declareAnonymous (JV, "Viewer$1", null, Runnable); +Clazz_overrideMethod (c$, "run", +function () { +this.f$.me.dragMinimizeAtom (this.f$.iAtom); +}); +c$ = Clazz_p0p (); +}; +Clazz_defineStatics (c$, +"nullDeletedAtoms", false); { { self.Jmol && Jmol.extend && Jmol.extend("vwr", @@ -59912,6 +60588,11 @@ Clazz_defineStatics (c$, "SYNC_NO_GRAPHICS_MESSAGE", "SET_GRAPHICS_OFF"); c$.staticFunctions = c$.prototype.staticFunctions = new java.util.Hashtable (); Clazz_defineStatics (c$, +"MIN_SILENT", 1, +"MIN_HAVE_FIXED", 2, +"MIN_QUICK", 4, +"MIN_ADDH", 8, +"MIN_NO_RANGE", 16, "nProcessors", 1); { { @@ -60204,7 +60885,7 @@ this.loader.processModelData (sb.toString (), this.thisModelID, modelType, this. Clazz_defineMethod (c$, "findRecord", function (tag) { if (this.line == null) this.readLine (); -if (this.line.indexOf ("<" + tag) < 0) this.line = this.loader.discardLinesUntilContains2 ("<" + tag, "##"); +if (this.line != null && this.line.indexOf ("<" + tag) < 0) this.line = this.loader.discardLinesUntilContains2 ("<" + tag, "##"); return (this.line != null && this.line.indexOf ("<" + tag) >= 0); }, "~S"); Clazz_defineMethod (c$, "readLine", @@ -60859,10 +61540,6 @@ Clazz_overrideMethod (c$, "isSigned", function () { return this.app.isSigned (); }); -Clazz_overrideMethod (c$, "finalize", -function () { -System.out.println ("JSpecView " + this + " finalized"); -}); Clazz_overrideMethod (c$, "destroy", function () { this.app.dispose (); @@ -61373,7 +62050,7 @@ function (c1, c2) { return (c1.getXVal () > c2.getXVal () ? 1 : c1.getXVal () < c2.getXVal () ? -1 : 0); }, "JSV.common.Coordinate,JSV.common.Coordinate"); Clazz_declarePackage ("JSV.common"); -Clazz_load (["JSV.common.CoordComparator"], "JSV.common.Coordinate", ["java.lang.Double", "java.util.Arrays", "$.StringTokenizer", "JU.DF", "$.Lst"], function () { +Clazz_load (["JSV.common.CoordComparator"], "JSV.common.Coordinate", ["java.lang.Double", "java.util.Arrays", "$.StringTokenizer", "JU.Lst"], function () { c$ = Clazz_decorateAsClass (function () { this.xVal = 0; this.yVal = 0; @@ -61396,14 +62073,6 @@ Clazz_defineMethod (c$, "getYVal", function () { return this.yVal; }); -Clazz_defineMethod (c$, "getXString", -function () { -return JU.DF.formatDecimalTrimmed (this.xVal, 8); -}); -Clazz_defineMethod (c$, "getYString", -function () { -return JU.DF.formatDecimalTrimmed (this.yVal, 8); -}); Clazz_defineMethod (c$, "setXVal", function (val) { this.xVal = val; @@ -61471,8 +62140,7 @@ return xyCoords.toArray (coord); }, "~S,~N,~N"); c$.deltaX = Clazz_defineMethod (c$, "deltaX", function (last, first, numPoints) { -var test = (last - first) / (numPoints - 1); -return test; +return (last - first) / (numPoints - 1); }, "~N,~N,~N"); c$.removeScale = Clazz_defineMethod (c$, "removeScale", function (xyCoords, xScale, yScale) { @@ -61486,29 +62154,6 @@ xyCoords[i].setXVal (xyCoords[i].getXVal () * xScale); xyCoords[i].setYVal (xyCoords[i].getYVal () * yScale); } }}, "~A,~N,~N"); -c$.applyShiftReference = Clazz_defineMethod (c$, "applyShiftReference", -function (xyCoords, dataPointNum, firstX, lastX, offset, observedFreq, shiftRefType) { -if (dataPointNum > xyCoords.length || dataPointNum < 0) return; -var coord; -switch (shiftRefType) { -case 0: -offset = xyCoords[xyCoords.length - dataPointNum].getXVal () - offset * observedFreq; -break; -case 1: -offset = firstX - offset * observedFreq; -break; -case 2: -offset = lastX + offset; -break; -} -for (var index = 0; index < xyCoords.length; index++) { -coord = xyCoords[index]; -coord.setXVal (coord.getXVal () - offset); -xyCoords[index] = coord; -} -firstX -= offset; -lastX -= offset; -}, "~A,~N,~N,~N,~N,~N,~N"); c$.getMinX = Clazz_defineMethod (c$, "getMinX", function (coords, start, end) { var min = 1.7976931348623157E308; @@ -62765,6 +63410,7 @@ if (this.pd.getBoolean (JSV.common.ScriptToken.YSCALEON)) this.drawYScale (gMain if (subIndex >= 0) this.draw2DUnits (gMain); }this.drawWidgets (gFront, g2, subIndex, needNewPins, doDraw1DObjects, true, false); this.drawWidgets (gFront, g2, subIndex, needNewPins, doDraw1DObjects, true, true); +this.widgetsAreSet = true; }if (this.annotations != null) this.drawAnnotations (gFront, this.annotations, null); }, "~O,~O,~O,~N,~B,~B,~B"); Clazz_defineMethod (c$, "drawSpectrumSource", @@ -65295,7 +65941,8 @@ nCount = 0; nCount = 0; y0 = y; }} -if (this.spec.nH > 0) this.factorAllIntegrals (this.spec.nH / this.percentRange, false); +var nH = this.spec.getHydrogenCount (); +if (nH > 0) this.factorAllIntegrals (nH / this.percentRange, false); }); Clazz_defineMethod (c$, "getInfo", function (info) { @@ -65339,29 +65986,26 @@ c$.$HEADER = c$.prototype.$HEADER = Clazz_newArray (-1, ["peak", "start/ppm", " Clazz_declarePackage ("JSV.common"); Clazz_load (["java.lang.Enum", "JSV.source.JDXDataObject", "JU.Lst"], "JSV.common.Spectrum", ["java.lang.Boolean", "$.Double", "java.util.Hashtable", "JU.PT", "JSV.common.Coordinate", "$.Parameters", "$.PeakInfo", "JSV.source.JDXSourceStreamTokenizer", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { +this.id = ""; +this.fillColor = null; this.subSpectra = null; this.peakList = null; -this.piUnitsX = null; -this.piUnitsY = null; +this.peakXLabel = null; +this.peakYLabel = null; this.selectedPeak = null; this.highlightedPeak = null; +this.convertedSpectrum = null; this.specShift = 0; +this.userYFactor = 1; this.currentSubSpectrumIndex = 0; this.$isForcedSubset = false; -this.id = ""; -this.convertedSpectrum = null; -this.userYFactor = 1; this.exportXAxisLeftToRight = false; -this.fillColor = null; +this.titleLabel = null; Clazz_instantialize (this, arguments); }, JSV.common, "Spectrum", JSV.source.JDXDataObject); Clazz_prepareFields (c$, function () { this.peakList = new JU.Lst (); }); -Clazz_overrideMethod (c$, "finalize", -function () { -System.out.println ("JDXSpectrum " + this + " finalized " + this.title); -}); Clazz_defineMethod (c$, "dispose", function () { }); @@ -65384,7 +66028,7 @@ Clazz_defineMethod (c$, "copy", function () { var newSpectrum = new JSV.common.Spectrum (); this.copyTo (newSpectrum); -newSpectrum.setPeakList (this.peakList, this.piUnitsX, null); +newSpectrum.setPeakList (this.peakList, this.peakXLabel, null); newSpectrum.fillColor = this.fillColor; return newSpectrum; }); @@ -65397,10 +66041,10 @@ function () { return this.peakList; }); Clazz_defineMethod (c$, "setPeakList", -function (list, piUnitsX, piUnitsY) { +function (list, peakXLabel, peakYLabel) { this.peakList = list; -this.piUnitsX = piUnitsX; -this.piUnitsY = piUnitsY; +this.peakXLabel = peakXLabel; +this.peakYLabel = peakYLabel; for (var i = list.size (); --i >= 0; ) this.peakList.get (i).spectrum = this; if (JU.Logger.debugging) JU.Logger.info ("Spectrum " + this.getTitle () + " peaks: " + list.size ()); @@ -65473,13 +66117,14 @@ return (this.selectedPeak != null ? this.selectedPeak.getTitle () : this.highlig }); Clazz_defineMethod (c$, "getTitleLabel", function () { +if (this.titleLabel != null) return this.titleLabel; var type = (this.peakList == null || this.peakList.size () == 0 ? this.getQualifiedDataType () : this.peakList.get (0).getType ()); if (type != null && type.startsWith ("NMR")) { if (this.nucleusY != null && !this.nucleusY.equals ("?")) { type = "2D" + type; } else { -type = this.nucleusX + type; -}}return (type != null && type.length > 0 ? type + " " : "") + this.getTitle (); +type = JSV.source.JDXDataObject.getNominalSpecFreq (this.nucleusX, this.getObservedFreq ()) + " MHz " + this.nucleusX + " " + type; +}}return this.titleLabel = (type != null && type.length > 0 ? type + " " : "") + this.getTitle (); }); Clazz_defineMethod (c$, "setNextPeak", function (coord, istep) { @@ -65621,7 +66266,7 @@ return (this.currentSubSpectrumIndex = JSV.common.Coordinate.intoRange (n, 0, th }, "~N"); Clazz_defineMethod (c$, "addSubSpectrum", function (spectrum, forceSub) { -if (!forceSub && (this.numDim < 2 || this.blockID != spectrum.blockID) || !JSV.common.Spectrum.allowSubSpec (this, spectrum)) return false; +if (!forceSub && (this.is1D () || this.blockID != spectrum.blockID) || !JSV.common.Spectrum.allowSubSpec (this, spectrum)) return false; this.$isForcedSubset = forceSub; if (this.subSpectra == null) { this.subSpectra = new JU.Lst (); @@ -65685,7 +66330,7 @@ keys += " titleLabel type isHZToPPM subSpectrumCount"; } else { JSV.common.Parameters.putInfo (key, info, "titleLabel", this.getTitleLabel ()); JSV.common.Parameters.putInfo (key, info, "type", this.getDataType ()); -JSV.common.Parameters.putInfo (key, info, "isHZToPPM", Boolean.$valueOf (this.$isHZtoPPM)); +JSV.common.Parameters.putInfo (key, info, "isHZToPPM", Boolean.$valueOf (this.isHZtoPPM ())); JSV.common.Parameters.putInfo (key, info, "subSpectrumCount", Integer.$valueOf (this.subSpectra == null ? 0 : this.subSpectra.size ())); }}if (keys != null) info.put ("KEYS", keys); return info; @@ -65710,10 +66355,6 @@ throw e; } return info; }, "~S"); -Clazz_overrideMethod (c$, "toString", -function () { -return this.getTitleLabel (); -}); Clazz_defineMethod (c$, "findMatchingPeakInfo", function (pi) { for (var i = 0; i < this.peakList.size (); i++) if (this.peakList.get (i).checkTypeMatch (pi)) return this.peakList.get (i); @@ -65726,10 +66367,10 @@ return (this.peakList.size () == 0 ? new JSV.common.PeakInfo () : new JSV.comm }); Clazz_defineMethod (c$, "getAxisLabel", function (isX) { -var units = (isX ? this.piUnitsX : this.piUnitsY); -if (units == null) units = (isX ? this.xLabel : this.yLabel); -if (units == null) units = (isX ? this.xUnits : this.yUnits); -return (units == null ? "" : units.equalsIgnoreCase ("WAVENUMBERS") ? "1/cm" : units.equalsIgnoreCase ("nanometers") ? "nm" : units); +var label = (isX ? this.peakXLabel : this.peakYLabel); +if (label == null) label = (isX ? this.xLabel : this.yLabel); +if (label == null) label = (isX ? this.xUnits : this.yUnits); +return (label == null ? "" : label.equalsIgnoreCase ("WAVENUMBERS") ? "1/cm" : label.equalsIgnoreCase ("nanometers") ? "nm" : label); }, "~B"); Clazz_defineMethod (c$, "findXForPeakNearest", function (x) { @@ -65777,10 +66418,6 @@ c$.areLinkableY = Clazz_defineMethod (c$, "areLinkableY", function (s1, s2) { return (s1.isNMR () && s2.isNMR () && s1.nucleusX.equals (s2.nucleusY)); }, "JSV.common.Spectrum,JSV.common.Spectrum"); -Clazz_defineMethod (c$, "setNHydrogens", -function (nH) { -this.nH = nH; -}, "~N"); Clazz_defineMethod (c$, "getPeakWidth", function () { var w = this.getLastX () - this.getFirstX (); @@ -65799,6 +66436,10 @@ function (color) { this.fillColor = color; if (this.convertedSpectrum != null) this.convertedSpectrum.fillColor = color; }, "javajs.api.GenericColor"); +Clazz_overrideMethod (c$, "toString", +function () { +return this.getTitleLabel () + (this.xyCoords == null ? "" : " xyCoords.length=" + this.xyCoords.length); +}); Clazz_pu$h(self.c$); c$ = Clazz_declareType (JSV.common.Spectrum, "IRMode", Enum); c$.getMode = Clazz_defineMethod (c$, "getMode", @@ -65822,25 +66463,59 @@ c$ = Clazz_p0p (); Clazz_defineStatics (c$, "MAXABS", 4); }); -Jmol.___JSVDate="$Date: 2019-04-26 13:58:53 -0500 (Fri, 26 Apr 2019) $" -Jmol.___JSVSvnRev="$LastChangedRevision: 21963 $" -Jmol.___JSVVersion="14.2.8" Clazz_declarePackage ("JSV.common"); c$ = Clazz_declareType (JSV.common, "JSVersion"); Clazz_defineStatics (c$, +"VERSION_SHORT", null, "VERSION", null, -"VERSION_SHORT", null); +"date", null, +"versionInt", 0, +"majorVersion", null); { var tmpVersion = null; var tmpDate = null; -var tmpSVN = null; { -tmpVersion = Jmol.___JSVVersion; tmpDate = Jmol.___JSVDate; -tmpSVN = Jmol.___JSVSvnRev; -}if (tmpDate != null) tmpDate = tmpDate.substring (7, 23); -tmpSVN = (tmpSVN == null ? "" : "/SVN" + tmpSVN.substring (22, 27)); -JSV.common.JSVersion.VERSION_SHORT = (tmpVersion != null ? tmpVersion : "(Unknown version)"); -JSV.common.JSVersion.VERSION = JSV.common.JSVersion.VERSION_SHORT + tmpSVN + "/" + (tmpDate != null ? tmpDate : "(Unknown date)"); +tmpVersion = Jmol.___JmolVersion; tmpDate = Jmol.___JmolDate; +}if (tmpDate != null) { +tmpDate = tmpDate.substring (7, 23); +}JSV.common.JSVersion.VERSION_SHORT = (tmpVersion != null ? tmpVersion : "(Unknown_version)"); +var mv = (tmpVersion != null ? tmpVersion : "(Unknown_version)"); +JSV.common.JSVersion.date = (tmpDate != null ? tmpDate : ""); +JSV.common.JSVersion.VERSION = JSV.common.JSVersion.VERSION_SHORT + (JSV.common.JSVersion.date == null ? "" : " " + JSV.common.JSVersion.date); +var v = -1; +if (tmpVersion != null) try { +var s = JSV.common.JSVersion.VERSION_SHORT; +var major = ""; +var i = s.indexOf ("."); +if (i < 0) { +v = 100000 * Integer.parseInt (s); +s = null; +}if (s != null) { +v = 100000 * Integer.parseInt (major = s.substring (0, i)); +s = s.substring (i + 1); +i = s.indexOf ("."); +if (i < 0) { +v += 1000 * Integer.parseInt (s); +s = null; +}if (s != null) { +var m = s.substring (0, i); +major += "." + m; +mv = major; +v += 1000 * Integer.parseInt (m); +s = s.substring (i + 1); +i = s.indexOf ("_"); +if (i >= 0) s = s.substring (0, i); +i = s.indexOf (" "); +if (i >= 0) s = s.substring (0, i); +v += Integer.parseInt (s); +}}} catch (e) { +if (Clazz_exceptionOf (e, NumberFormatException)) { +} else { +throw e; +} +} +JSV.common.JSVersion.majorVersion = mv; +JSV.common.JSVersion.versionInt = v; }Clazz_declarePackage ("JSV.common"); Clazz_load (["java.util.Hashtable"], "JSV.common.JSVFileManager", ["java.io.BufferedInputStream", "$.BufferedReader", "$.InputStreamReader", "$.StringReader", "java.net.URL", "JU.AU", "$.BS", "$.Encoding", "$.JSJSONParser", "$.P3", "$.PT", "$.SB", "JSV.common.JSVersion", "$.JSViewer", "JSV.exception.JSVException", "JU.Logger"], function () { c$ = Clazz_declareType (JSV.common, "JSVFileManager"); @@ -65947,7 +66622,6 @@ if (Clazz_instanceOf (ret, JU.SB) || Clazz_instanceOf (ret, String)) return new if (JSV.common.JSVFileManager.isAB (ret)) return new java.io.BufferedReader ( new java.io.StringReader ( String.instantialize (ret))); var bis = new java.io.BufferedInputStream (ret); var $in = bis; -if (JSV.common.JSVFileManager.isZipFile (bis)) return (JSV.common.JSViewer.getInterface ("JSV.common.JSVZipUtil")).newJSVZipFileSequentialReader ($in, subFileList, startCode); if (JSV.common.JSVFileManager.isGzip (bis)) $in = (JSV.common.JSViewer.getInterface ("JSV.common.JSVZipUtil")).newGZIPInputStream ($in); return new java.io.BufferedReader ( new java.io.InputStreamReader ($in, "UTF-8")); } catch (e) { @@ -65997,9 +66671,8 @@ return JSV.common.JSVFileManager.getBufferedReaderForStringOrBytes (data); }, "~S"); c$.isAB = Clazz_defineMethod (c$, "isAB", function (x) { -{ -return Clazz_isAB(x); -}}, "~O"); +return JU.AU.isAB (x); +}, "~O"); c$.isZipFile = Clazz_defineMethod (c$, "isZipFile", function (is) { try { @@ -66369,8 +67042,8 @@ Clazz_defineStatics (c$, c$.htCorrelationCache = c$.prototype.htCorrelationCache = new java.util.Hashtable (); Clazz_defineStatics (c$, "nciResolver", "https://cactus.nci.nih.gov/chemical/structure/%FILE/file?format=sdf&get3d=True", -"nmrdbServerH1", "http://www.nmrdb.org/tools/jmol/predict.php?POST?molfile=", -"nmrdbServerC13", "http://www.nmrdb.org/service/jsmol13c?POST?molfile=", +"nmrdbServerH1", "https://www.nmrdb.org/tools/jmol/predict.php?POST?molfile=", +"nmrdbServerC13", "https://www.nmrdb.org/service/jsmol13c?POST?molfile=", "stringCount", 0); }); Clazz_declarePackage ("JSV.common"); @@ -67335,7 +68008,8 @@ var isView = false; if (strUrl != null && strUrl.startsWith ("cache://")) { { data = Jmol.Cache.get(name = strUrl); -}}if (data != null) { +}}var file = null; +if (data != null) { try { fileName = name; newPath = filePath = JSV.common.JSVFileManager.getFullPathName (name); @@ -67350,13 +68024,13 @@ isView = true; newPath = fileName = filePath = "View" + (++this.nViews); } else if (strUrl != null) { try { +file = this.apiPlatform.newFile (strUrl); var u = new java.net.URL (JSV.common.JSVFileManager.appletDocumentBase, strUrl, null); filePath = u.toString (); this.recentURL = filePath; fileName = JSV.common.JSVFileManager.getTagName (filePath); } catch (e) { if (Clazz_exceptionOf (e, java.net.MalformedURLException)) { -var file = this.apiPlatform.newFile (strUrl); fileName = file.getName (); newPath = filePath = file.getFullPath (); this.recentURL = null; @@ -67375,7 +68049,7 @@ this.si.writeStatus (filePath + " is already open"); }if (!isAppend && !isView) this.close ("all"); this.si.setCursor (3); try { -this.si.siSetCurrentSource (isView ? JSV.source.JDXSource.createView (specs) : JSV.source.JDXReader.createJDXSource (data, filePath, this.obscureTitleFromUser === Boolean.TRUE, this.loadImaginary, firstSpec, lastSpec, this.nmrMaxY)); +this.si.siSetCurrentSource (isView ? JSV.source.JDXSource.createView (specs) : JSV.source.JDXReader.createJDXSource (file, data, filePath, this.obscureTitleFromUser === Boolean.TRUE, this.loadImaginary, firstSpec, lastSpec, this.nmrMaxY)); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { { @@ -68226,7 +68900,7 @@ var toHz = this.spec.isNMR () && units.equalsIgnoreCase ("HZ"); var data = JU.AU.newDouble2 (this.size ()); for (var pt = 0, i = this.size (); --i >= 0; ) { var y = this.get (i).getValue (); -if (toHz) y *= this.spec.observedFreq; +if (toHz) y *= this.spec.getObservedFreq (); data[pt++] = Clazz_newDoubleArray (-1, [this.get (i).getXVal (), this.get (i).getXVal2 (), y]); } return data; @@ -72056,10 +72730,6 @@ this.name = null; this.bgcolor = null; Clazz_instantialize (this, arguments); }, JSV.js2d, "JsPanel", null, JSV.api.JSVPanel); -Clazz_overrideMethod (c$, "finalize", -function () { -JU.Logger.info ("JSVPanel " + this + " finalized"); -}); Clazz_overrideMethod (c$, "getApiPlatform", function () { return this.apiPlatform; @@ -72494,6 +73164,17 @@ Clazz_overrideMethod (c$, "forceAsyncLoad", function (filename) { return false; }, "~S"); +Clazz_overrideMethod (c$, "getInChI", +function () { +return null; +}); +Clazz_overrideMethod (c$, "confirm", +function (msg, msgNo) { +var ok = false; +if (ok) return 0; +if (msgNo != null) ok = false; +return (ok ? 1 : 2); +}, "~S,~S"); }); Clazz_declarePackage ("JSV.js2d"); Clazz_load (["JSV.api.JSVMainPanel"], "JSV.js2d.JsMainPanel", null, function () { @@ -72558,48 +73239,47 @@ this.focusable = b; }, "~B"); }); Clazz_declarePackage ("JSV.source"); -Clazz_load (["JSV.source.JDXHeader"], "JSV.source.JDXDataObject", ["java.lang.Character", "$.Double", "JU.DF", "$.PT", "JSV.common.Annotation", "$.Coordinate", "$.Integral", "JSV.exception.JSVException", "JU.Logger"], function () { +Clazz_load (["JSV.source.JDXHeader", "java.util.Hashtable"], "JSV.source.JDXDataObject", ["java.lang.Character", "$.Double", "JU.DF", "$.PT", "JSV.common.Annotation", "$.Coordinate", "$.Integral", "JSV.exception.JSVException", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { +this.sourceID = ""; +this.isSimulation = false; +this.blockID = 0; this.filePath = null; this.filePathForwardSlash = null; -this.isSimulation = false; this.inlineData = null; -this.sourceID = ""; -this.blockID = 0; +this.fileShiftRef = 1.7976931348623157E308; +this.fileShiftRefType = -1; +this.fileShiftRefDataPt = -1; +this.minX = NaN; +this.minY = NaN; +this.maxX = NaN; +this.maxY = NaN; +this.deltaX = NaN; +this.xyCoords = null; +this.continuous = false; +this.$isHZtoPPM = false; +this.xIncreases = true; this.fileFirstX = 1.7976931348623157E308; this.fileLastX = 1.7976931348623157E308; -this.nPointsFile = -1; +this.fileNPoints = -1; this.xFactor = 1.7976931348623157E308; this.yFactor = 1.7976931348623157E308; -this.varName = ""; +this.nucleusX = null; +this.nucleusY = "?"; +this.freq2dX = NaN; +this.freq2dY = NaN; +this.y2DUnits = ""; +this.parent = null; this.xUnits = ""; this.yUnits = ""; this.xLabel = null; this.yLabel = null; -this.nH = 0; +this.varName = ""; this.observedNucl = ""; this.observedFreq = 1.7976931348623157E308; -this.parent = null; -this.offset = 1.7976931348623157E308; -this.shiftRefType = -1; -this.dataPointNum = -1; this.numDim = 1; -this.nucleusX = null; -this.nucleusY = "?"; -this.freq2dX = NaN; -this.freq2dY = NaN; +this.nH = 0; this.y2D = NaN; -this.y2DUnits = ""; -this.$isHZtoPPM = false; -this.xIncreases = true; -this.continuous = false; -this.xyCoords = null; -this.minX = NaN; -this.minY = NaN; -this.maxX = NaN; -this.maxY = NaN; -this.deltaX = NaN; -this.normalizationFactor = 1; Clazz_instantialize (this, arguments); }, JSV.source, "JDXDataObject", JSV.source.JDXHeader); Clazz_defineMethod (c$, "setInlineData", @@ -72626,9 +73306,10 @@ Clazz_defineMethod (c$, "setBlockID", function (id) { this.blockID = id; }, "~N"); -Clazz_defineMethod (c$, "isImaginary", +Clazz_defineMethod (c$, "checkJDXRequiredTokens", function () { -return this.varName.contains ("IMAG"); +var missingTag = (this.fileFirstX == 1.7976931348623157E308 ? "##FIRSTX" : this.fileLastX == 1.7976931348623157E308 ? "##LASTX" : this.fileNPoints == -1 ? "##NPOINTS" : this.xFactor == 1.7976931348623157E308 ? "##XFACTOR" : this.yFactor == 1.7976931348623157E308 ? "##YFACTOR" : null); +if (missingTag != null) throw new JSV.exception.JSVException ("Error Reading Data Set: " + missingTag + " not found"); }); Clazz_defineMethod (c$, "setXFactor", function (xFactor) { @@ -72646,10 +73327,13 @@ Clazz_defineMethod (c$, "getYFactor", function () { return this.yFactor; }); -Clazz_defineMethod (c$, "checkRequiredTokens", +Clazz_defineMethod (c$, "setVarName", +function (name) { +this.varName = name; +}, "~S"); +Clazz_defineMethod (c$, "isImaginary", function () { -var err = (this.fileFirstX == 1.7976931348623157E308 ? "##FIRSTX" : this.fileLastX == 1.7976931348623157E308 ? "##LASTX" : this.nPointsFile == -1 ? "##NPOINTS" : this.xFactor == 1.7976931348623157E308 ? "##XFACTOR" : this.yFactor == 1.7976931348623157E308 ? "##YFACTOR" : null); -if (err != null) throw new JSV.exception.JSVException ("Error Reading Data Set: " + err + " not found"); +return this.varName.contains ("IMAG"); }); Clazz_defineMethod (c$, "setXUnits", function (xUnits) { @@ -72679,8 +73363,12 @@ this.yLabel = value; Clazz_defineMethod (c$, "setObservedNucleus", function (value) { this.observedNucl = value; -if (this.numDim == 1) this.parent.nucleusX = this.nucleusX = this.fixNucleus (value); +if (this.is1D ()) this.parent.nucleusX = this.nucleusX = this.fixNucleus (value); }, "~S"); +Clazz_defineMethod (c$, "getObservedNucleus", +function () { +return this.observedNucl; +}); Clazz_defineMethod (c$, "setObservedFreq", function (observedFreq) { this.observedFreq = observedFreq; @@ -72689,10 +73377,26 @@ Clazz_defineMethod (c$, "getObservedFreq", function () { return this.observedFreq; }); +Clazz_defineMethod (c$, "setHydrogenCount", +function (nH) { +this.nH = nH; +}, "~N"); +Clazz_defineMethod (c$, "getHydrogenCount", +function () { +return this.nH; +}); Clazz_defineMethod (c$, "is1D", function () { return this.numDim == 1; }); +Clazz_defineMethod (c$, "getNumDim", +function () { +return this.numDim; +}); +Clazz_defineMethod (c$, "setNumDim", +function (n) { +this.numDim = n; +}, "~N"); Clazz_defineMethod (c$, "setY2D", function (d) { this.y2D = d; @@ -72720,8 +73424,8 @@ var freq; if (this.observedNucl.indexOf (nuc) >= 0) { freq = this.observedFreq; } else { -var g1 = JSV.source.JDXDataObject.getGyroMagneticRatio (this.observedNucl); -var g2 = JSV.source.JDXDataObject.getGyroMagneticRatio (nuc); +var g1 = JSV.source.JDXDataObject.getGyromagneticRatio (this.fixNucleus (this.observedNucl)); +var g2 = JSV.source.JDXDataObject.getGyromagneticRatio (nuc); freq = this.observedFreq * g2 / g1; }if (isX) this.freq2dX = freq; else this.freq2dY = freq; @@ -72731,16 +73435,30 @@ Clazz_defineMethod (c$, "fixNucleus", function (nuc) { return JU.PT.rep (JU.PT.trim (nuc, "[]^<>"), "NUC_", ""); }, "~S"); -c$.getGyroMagneticRatio = Clazz_defineMethod (c$, "getGyroMagneticRatio", - function (nuc) { +c$.getNominalSpecFreq = Clazz_defineMethod (c$, "getNominalSpecFreq", +function (nuc, freq) { +var d = freq * JSV.source.JDXDataObject.getGyromagneticRatio ("1H") / JSV.source.JDXDataObject.getGyromagneticRatio (nuc); +var century = Math.round (d / 100) * 100; +return (Double.isNaN (d) ? -1 : Math.abs (d - century) < 2 ? century : Math.round (d)); +}, "~S,~N"); +c$.getGyromagneticRatio = Clazz_defineMethod (c$, "getGyromagneticRatio", +function (nuc) { +var v = null; +try { +v = JSV.source.JDXDataObject.gyroMap.get (nuc); +if (v != null) return v.doubleValue (); var pt = 0; -while (pt < nuc.length && !Character.isDigit (nuc.charAt (pt))) pt++; - -pt = JU.PT.parseInt (nuc.substring (pt)); -var i = 0; -for (; i < JSV.source.JDXDataObject.gyroData.length; i += 2) if (JSV.source.JDXDataObject.gyroData[i] >= pt) break; +while (pt < nuc.length && Character.isDigit (nuc.charAt (pt))) pt++; -return (JSV.source.JDXDataObject.gyroData[i] == pt ? JSV.source.JDXDataObject.gyroData[i + 1] : NaN); +v = JSV.source.JDXDataObject.gyroMap.get (nuc.substring (0, pt)); +if (v != null) JSV.source.JDXDataObject.gyroMap.put (nuc, v); +} catch (e) { +if (Clazz_exceptionOf (e, Exception)) { +} else { +throw e; +} +} +return (v == null ? NaN : v.doubleValue ()); }, "~S"); Clazz_defineMethod (c$, "isTransmittance", function () { @@ -72816,7 +73534,7 @@ Clazz_defineMethod (c$, "shouldDisplayXAxisIncreasing", function () { var dt = this.dataType.toUpperCase (); var xu = this.xUnits.toUpperCase (); -if (dt.contains ("NMR") && !(dt.contains ("FID"))) { +if (dt.contains ("NMR") && !dt.contains ("FID")) { return false; } else if (dt.contains ("LINK") && xu.contains ("CM")) { return false; @@ -72868,7 +73586,7 @@ if (Double.isNaN (dx)) return ""; var precision = 1; var units = ""; if (this.isNMR ()) { -if (this.numDim == 1) { +if (this.is1D ()) { var isIntegral = (Clazz_instanceOf (m, JSV.common.Integral)); if (this.isHNMR () || isIntegral) { if (!isIntegral) { @@ -72935,13 +73653,13 @@ Clazz_defineMethod (c$, "getMaxY", function () { return (Double.isNaN (this.maxY) ? (this.maxY = JSV.common.Coordinate.getMaxY (this.xyCoords, 0, this.xyCoords.length - 1)) : this.maxY); }); -Clazz_defineMethod (c$, "doNormalize", +Clazz_defineMethod (c$, "normalizeSimulation", function (max) { if (!this.isNMR () || !this.is1D ()) return; -this.normalizationFactor = max / this.getMaxY (); +var f = max / this.getMaxY (); this.maxY = NaN; -JSV.common.Coordinate.applyScale (this.xyCoords, 1, this.normalizationFactor); -JU.Logger.info ("Y values have been scaled by a factor of " + this.normalizationFactor); +JSV.common.Coordinate.applyScale (this.xyCoords, 1, f); +JU.Logger.info ("Y values have been scaled by a factor of " + f); }, "~N"); Clazz_defineMethod (c$, "getDeltaX", function () { @@ -72967,9 +73685,9 @@ newObj.setContinuous (this.continuous); newObj.setIncreasing (this.xIncreases); newObj.observedFreq = this.observedFreq; newObj.observedNucl = this.observedNucl; -newObj.offset = this.offset; -newObj.dataPointNum = this.dataPointNum; -newObj.shiftRefType = this.shiftRefType; +newObj.fileShiftRef = this.fileShiftRef; +newObj.fileShiftRefDataPt = this.fileShiftRefDataPt; +newObj.fileShiftRefType = this.fileShiftRefType; newObj.$isHZtoPPM = this.$isHZtoPPM; newObj.numDim = this.numDim; newObj.nucleusX = this.nucleusX; @@ -73022,43 +73740,85 @@ if (this.isNMR ()) { return Clazz_newDoubleArray (-1, [x, y, x * this.observedFreq, (dx * this.observedFreq > 20 ? 0 : dx * this.observedFreq), (ddx * this.observedFreq > 20 ? 0 : ddx * this.observedFreq), (dddx * this.observedFreq > 20 ? 0 : dddx * this.observedFreq)]); }return Clazz_newDoubleArray (-1, [x, y]); }, "JSV.common.Measurement,~A,~N"); +Clazz_defineMethod (c$, "finalizeCoordinates", +function () { +var freq = (Double.isNaN (this.freq2dX) ? this.observedFreq : this.freq2dX); +var isHz = (freq != 1.7976931348623157E308 && this.getXUnits ().toUpperCase ().equals ("HZ")); +if (this.fileShiftRef != 1.7976931348623157E308 && freq != 1.7976931348623157E308 && this.dataType.toUpperCase ().contains ("SPECTRUM") && this.jcampdx.indexOf ("JEOL") < 0) { +this.applyShiftReference (isHz ? freq : 1, this.fileShiftRef); +}if (this.fileFirstX > this.fileLastX) JSV.common.Coordinate.reverse (this.xyCoords); +if (isHz) { +JSV.common.Coordinate.applyScale (this.xyCoords, (1.0 / freq), 1); +this.setXUnits ("PPM"); +this.setHZtoPPM (true); +}}); +Clazz_defineMethod (c$, "setShiftReference", +function (shift, pt, type) { +this.fileShiftRef = shift; +this.fileShiftRefDataPt = (pt > 0 ? pt : 1); +this.fileShiftRefType = type; +}, "~N,~N,~N"); +Clazz_defineMethod (c$, "isShiftTypeSpecified", +function () { +return (this.fileShiftRefType != -1); +}); +Clazz_defineMethod (c$, "applyShiftReference", + function (referenceFreq, shift) { +if (this.fileShiftRefDataPt > this.xyCoords.length || this.fileShiftRefDataPt < 0) return; +var coord; +switch (this.fileShiftRefType) { +case 0: +shift = this.xyCoords[this.fileShiftRefDataPt - 1].getXVal () - shift * referenceFreq; +break; +case 1: +shift = this.fileFirstX - shift * referenceFreq; +break; +case 2: +shift = this.fileLastX + shift; +break; +} +for (var index = 0; index < this.xyCoords.length; index++) { +coord = this.xyCoords[index]; +coord.setXVal (coord.getXVal () - shift); +this.xyCoords[index] = coord; +} +}, "~N,~N"); Clazz_defineStatics (c$, "ERROR", 1.7976931348623157E308, -"SCALE_NONE", 0, -"SCALE_TOP", 1, -"SCALE_BOTTOM", 2, -"SCALE_TOP_BOTTOM", 3, +"REF_TYPE_UNSPECIFIED", -1, +"REF_TYPE_STANDARD", 0, +"REF_TYPE_BRUKER", 1, +"REF_TYPE_VARIAN", 2, "gyroData", Clazz_newDoubleArray (-1, [1, 42.5774806, 2, 6.53590131, 3, 45.4148, 3, 32.436, 6, 6.2661, 7, 16.5483, 9, 5.9842, 10, 4.5752, 11, 13.663, 13, 10.70839657, 14, 3.07770646, 15, 4.31726570, 17, 5.7742, 19, 40.07757016, 21, 3.3631, 23, 11.26952167, 25, 2.6083, 27, 11.1031, 29, 8.4655, 31, 17.25144090, 33, 3.2717, 35, 4.1765, 37, 3.4765, 37, 5.819, 39, 3.46, 39, 1.9893, 40, 2.4737, 41, 1.0919, 43, 2.8688, 45, 10.3591, 47, 2.4041, 49, 2.4048, 50, 4.2505, 51, 11.2133, 53, 2.4115, 55, 10.5763, 57, 1.3816, 59, 10.077, 61, 3.8114, 63, 11.2982, 65, 12.103, 67, 2.6694, 69, 10.2478, 71, 13.0208, 73, 1.4897, 75, 7.315, 77, 8.1571, 79, 10.7042, 81, 11.5384, 83, 1.6442, 85, 4.1254, 87, 13.9811, 87, 1.8525, 89, 2.0949, 91, 3.9748, 93, 10.4523, 95, 2.7874, 97, 2.8463, 99, 9.6294, 99, 1.9553, 101, 2.1916, 103, 1.3477, 105, 1.957, 107, 1.7331, 109, 1.9924, 111, 9.0692, 113, 9.4871, 113, 9.3655, 115, 9.3856, 115, 14.0077, 117, 15.261, 119, 15.966, 121, 10.2551, 123, 5.5532, 123, 11.2349, 125, 13.5454, 127, 8.5778, 129, 11.8604, 131, 3.5159, 133, 5.6234, 135, 4.2582, 137, 4.7634, 138, 5.6615, 139, 6.0612, 137, 4.88, 139, 5.39, 141, 2.37, 141, 13.0359, 143, 2.319, 145, 1.429, 143, 11.59, 147, 5.62, 147, 1.7748, 149, 14631, 151, 10.5856, 153, 4.6745, 155, 1.312, 157, 1.72, 159, 10.23, 161, 1.4654, 163, 2.0508, 165, 9.0883, 167, 1.2281, 169, 3.531, 171, 7.5261, 173, 2.073, 175, 4.8626, 176, 3.451, 177, 1.7282, 179, 1.0856, 180, 4.087, 181, 5.1627, 183, 1.7957, 185, 9.7176, 187, 9.817, 187, 0.9856, 189, 3.3536, 191, 0.7658, 191, 0.8319, 195, 9.2922, 197, 0.7406, 199, 7.7123, 201, 2.8469, 203, 24.7316, 205, 24.9749, 207, 9.034, 209, 6.963, 209, 11.7, 211, 9.16, 223, 5.95, 223, 1.3746, 225, 11.187, 227, 5.6, 229, 1.4, 231, 10.2, 235, 0.83, 237, 9.57, 239, 3.09, 243, 4.6, 1E100])); -}); +c$.gyroMap = c$.prototype.gyroMap = new java.util.Hashtable (); +{ +for (var i = 0, n = JSV.source.JDXDataObject.gyroData.length - 1; i < n; i += 2) JSV.source.JDXDataObject.gyroMap.put ("" + Clazz_doubleToInt (JSV.source.JDXDataObject.gyroData[i]), Double.$valueOf (JSV.source.JDXDataObject.gyroData[i + 1])); + +}}); Clazz_declarePackage ("JSV.source"); -Clazz_load (null, "JSV.source.JDXDecompressor", ["java.lang.Double", "JSV.common.Coordinate", "JU.Logger"], function () { +Clazz_load (["java.util.Iterator"], "JSV.source.JDXDecompressor", ["java.lang.Double", "JSV.common.Coordinate", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { this.xFactor = 0; this.yFactor = 0; -this.deltaX = 0; this.nPoints = 0; this.ich = 0; -this.lineNumber = 0; this.t = null; this.firstX = 0; -this.dx = 0; +this.lastX = 0; this.maxY = 4.9E-324; this.minY = 1.7976931348623157E308; this.debugging = false; this.xyCoords = null; -this.ipt = 0; this.line = null; -this.lastLine = null; this.lineLen = 0; this.errorLog = null; -this.difVal = -2147483648; this.lastDif = -2147483648; this.dupCount = 0; -this.xval = 0; -this.yval = 0; -this.firstLastX = null; +this.nptsFound = 0; +this.lastY = 0; +this.isDIF = true; Clazz_instantialize (this, arguments); -}, JSV.source, "JDXDecompressor"); +}, JSV.source, "JDXDecompressor", null, java.util.Iterator); Clazz_defineMethod (c$, "getMinY", function () { return this.minY; @@ -73068,107 +73828,237 @@ function () { return this.maxY; }); Clazz_makeConstructor (c$, -function (t, firstX, xFactor, yFactor, deltaX, nPoints) { +function (t, firstX, lastX, xFactor, yFactor, nPoints) { this.t = t; this.firstX = firstX; +this.lastX = lastX; this.xFactor = xFactor; this.yFactor = yFactor; -this.deltaX = deltaX; this.nPoints = nPoints; -this.lineNumber = t.labelLineNo; this.debugging = JU.Logger.isActiveLevel (6); }, "JSV.source.JDXSourceStreamTokenizer,~N,~N,~N,~N,~N"); -Clazz_defineMethod (c$, "addPoint", - function (pt) { -if (this.ipt == this.xyCoords.length) { -var t = new Array (this.ipt * 2); -System.arraycopy (this.xyCoords, 0, t, 0, this.ipt); -this.xyCoords = t; -}var d = pt.getYVal (); -if (d > this.maxY) this.maxY = d; - else if (d < this.minY) this.minY = d; -if (this.debugging) this.logError ("Coord: " + this.ipt + pt); -this.xyCoords[this.ipt++] = pt; -this.firstLastX[1] = pt.getXVal (); -}, "JSV.common.Coordinate"); +Clazz_makeConstructor (c$, +function (line, lastY) { +this.line = line.trim (); +this.lineLen = line.length; +this.lastY = lastY; +}, "~S,~N"); Clazz_defineMethod (c$, "decompressData", -function (errorLog, firstLastX) { +function (errorLog) { this.errorLog = errorLog; -this.firstLastX = firstLastX; -if (this.debugging) this.logError ("firstX=" + this.firstX + " xFactor=" + this.xFactor + " yFactor=" + this.yFactor + " deltaX=" + this.deltaX + " nPoints=" + this.nPoints); -this.testAlgorithm (); +var deltaXcalc = JSV.common.Coordinate.deltaX (this.lastX, this.firstX, this.nPoints); +if (this.debugging) this.logError ("firstX=" + this.firstX + " lastX=" + this.lastX + " xFactor=" + this.xFactor + " yFactor=" + this.yFactor + " deltaX=" + deltaXcalc + " nPoints=" + this.nPoints); this.xyCoords = new Array (this.nPoints); -var difMax = Math.abs (0.35 * this.deltaX); -var dif14 = Math.abs (1.4 * this.deltaX); -var dif06 = Math.abs (0.6 * this.deltaX); +var difFracMax = 0.5; +var prevXcheck = 0; +var prevIpt = 0; +var lastXExpected = this.lastX; +var x = this.lastX = this.firstX; +var lastLine = null; +var ipt = 0; +var yval = 0; +var haveWarned = false; +var lineNumber = this.t.labelLineNo; try { while ((this.line = this.t.readLineTrimmed ()) != null && this.line.indexOf ("##") < 0) { -this.lineNumber++; -if (this.debugging) this.logError (this.lineNumber + "\t" + this.line); +lineNumber++; if ((this.lineLen = this.line.length) == 0) continue; this.ich = 0; -var isCheckPoint = (this.lastDif != -2147483648); -this.xval = this.getValueDelim () * this.xFactor; -if (this.ipt == 0) { -firstLastX[0] = this.xval; -this.dx = this.firstX - this.xval; -}this.xval += this.dx; -var point = new JSV.common.Coordinate ().set (this.xval, (this.yval = this.getYValue ()) * this.yFactor); -if (this.ipt == 0) { -this.addPoint (point); -} else { -var lastPoint = this.xyCoords[this.ipt - 1]; -var xdif = Math.abs (lastPoint.getXVal () - point.getXVal ()); -if (isCheckPoint && xdif < difMax) { -this.xyCoords[this.ipt - 1] = point; -var y = lastPoint.getYVal (); -var y1 = point.getYVal (); -if (y1 != y) this.logError (this.lastLine + "\n" + this.line + "\nY-value Checkpoint Error! Line " + this.lineNumber + " for y1=" + y1 + " y0=" + y); -} else { -this.addPoint (point); -if (xdif < dif06 || xdif > dif14) this.logError (this.lastLine + "\n" + this.line + "\nX-sequence Checkpoint Error! Line " + this.lineNumber + " |x1-x0|=" + xdif + " instead of " + Math.abs (this.deltaX) + " for x1=" + point.getXVal () + " x0=" + lastPoint.getXVal ()); -}}while (this.ich < this.lineLen || this.difVal != -2147483648 || this.dupCount > 0) { -this.xval += this.deltaX; -if (!Double.isNaN (this.yval = this.getYValue ())) this.addPoint ( new JSV.common.Coordinate ().set (this.xval, this.yval * this.yFactor)); -} -this.lastLine = this.line; +var isCheckPoint = this.isDIF; +var xcheck = this.readSignedFloat () * this.xFactor; +yval = this.nextValue (yval); +if (!isCheckPoint && ipt > 0) x += deltaXcalc; +if (this.debugging) this.logError ("Line: " + lineNumber + " isCP=" + isCheckPoint + "\t>>" + this.line + "<<\n x, xcheck " + x + " " + x / this.xFactor + " " + xcheck / this.xFactor + " " + deltaXcalc / this.xFactor); +var y = yval * this.yFactor; +var point = new JSV.common.Coordinate ().set (x, y); +if (ipt == 0 || !isCheckPoint) { +this.addPoint (point, ipt++); +} else if (ipt < this.nPoints) { +var lastY = this.xyCoords[ipt - 1].getYVal (); +if (y != lastY) { +this.xyCoords[ipt - 1] = point; +this.logError (lastLine + "\n" + this.line + "\nY-value Checkpoint Error! Line " + lineNumber + " for y=" + y + " yLast=" + lastY); +}if (xcheck == prevXcheck || (xcheck < prevXcheck) != (deltaXcalc < 0)) { +this.logError (lastLine + "\n" + this.line + "\nX-sequence Checkpoint Error! Line " + lineNumber + " order for xCheck=" + xcheck + " after prevXCheck=" + prevXcheck); +}var xcheckDif = Math.abs (xcheck - prevXcheck); +var xiptDif = Math.abs ((ipt - prevIpt) * deltaXcalc); +var fracDif = Math.abs ((xcheckDif - xiptDif)) / xcheckDif; +if (this.debugging) System.err.println ("JDXD fracDif = " + xcheck + "\t" + prevXcheck + "\txcheckDif=" + xcheckDif + "\txiptDif=" + xiptDif + "\tf=" + fracDif); +if (fracDif > difFracMax) { +this.logError (lastLine + "\n" + this.line + "\nX-value Checkpoint Error! Line " + lineNumber + " expected " + xiptDif + " but X-Sequence Check difference reads " + xcheckDif); +}}prevIpt = (ipt == 1 ? 0 : ipt); +prevXcheck = xcheck; +var nX = 0; +while (this.hasNext ()) { +var ich0 = this.ich; +if (this.debugging) this.logError ("line " + lineNumber + " char " + ich0 + ":" + this.line.substring (0, ich0) + ">>>>" + this.line.substring (this.ich)); +if (Double.isNaN (yval = this.nextValue (yval))) { +this.logError ("There was an error reading line " + lineNumber + " char " + ich0 + ":" + this.line.substring (0, ich0) + ">>>>" + this.line.substring (ich0)); +} else { +x += deltaXcalc; +if (yval == 1.7976931348623157E308) { +yval = 0; +this.logError ("Point marked invalid '?' for line " + lineNumber + " char " + ich0 + ":" + this.line.substring (0, ich0) + ">>>>" + this.line.substring (ich0)); +}this.addPoint ( new JSV.common.Coordinate ().set (x, yval * this.yFactor), ipt++); +if (this.debugging) this.logError ("nx=" + ++nX + " " + x + " " + x / this.xFactor + " yval=" + yval); +}} +this.lastX = x; +if (!haveWarned && ipt > this.nPoints) { +this.logError ("! points overflow nPoints!"); +haveWarned = true; +}lastLine = this.line; } } catch (ioe) { if (Clazz_exceptionOf (ioe, java.io.IOException)) { +ioe.printStackTrace (); } else { throw ioe; } } -if (this.nPoints != this.ipt) { -this.logError ("Decompressor did not find " + this.nPoints + " points -- instead " + this.ipt); -var temp = new Array (this.ipt); -System.arraycopy (this.xyCoords, 0, temp, 0, this.ipt); -this.xyCoords = temp; -}return (this.deltaX > 0 ? this.xyCoords : JSV.common.Coordinate.reverse (this.xyCoords)); -}, "JU.SB,~A"); +this.checkZeroFill (ipt, lastXExpected); +return this.xyCoords; +}, "JU.SB"); +Clazz_defineMethod (c$, "checkZeroFill", + function (ipt, lastXExpected) { +this.nptsFound = ipt; +if (this.nPoints == this.nptsFound) { +if (Math.abs (lastXExpected - this.lastX) > 0.00001) this.logError ("Something went wrong! The last X value was " + this.lastX + " but expected " + lastXExpected); +} else { +this.logError ("Decompressor did not find " + this.nPoints + " points -- instead " + this.nptsFound + " xyCoords.length set to " + this.nPoints); +for (var i = this.nptsFound; i < this.nPoints; i++) this.addPoint ( new JSV.common.Coordinate ().set (0, NaN), i); + +}}, "~N,~N"); +Clazz_defineMethod (c$, "addPoint", + function (pt, ipt) { +if (ipt >= this.nPoints) return; +this.xyCoords[ipt] = pt; +var y = pt.getYVal (); +if (y > this.maxY) this.maxY = y; + else if (y < this.minY) this.minY = y; +if (this.debugging) this.logError ("Coord: " + ipt + pt); +}, "JSV.common.Coordinate,~N"); Clazz_defineMethod (c$, "logError", function (s) { if (this.debugging) JU.Logger.debug (s); +System.err.println (s); this.errorLog.append (s).appendC ('\n'); }, "~S"); -Clazz_defineMethod (c$, "getYValue", +Clazz_defineMethod (c$, "nextValue", + function (yval) { +if (this.dupCount > 0) return this.getDuplicate (yval); +var ch = this.skipUnknown (); +switch (JSV.source.JDXDecompressor.actions[ch.charCodeAt (0)]) { +case 1: +this.isDIF = true; +return yval + (this.lastDif = this.readNextInteger (ch == '%' ? 0 : ch <= 'R' ? ch.charCodeAt (0) - 73 : 105 - ch.charCodeAt (0))); +case 2: +this.dupCount = this.readNextInteger ((ch == 's' ? 9 : ch.charCodeAt (0) - 82)) - 1; +return this.getDuplicate (yval); +case 3: +yval = this.readNextSqueezedNumber (ch); +break; +case 4: +this.ich--; +yval = this.readSignedFloat (); +break; +case -1: +yval = 1.7976931348623157E308; +break; +default: +yval = NaN; +break; +} +this.isDIF = false; +return yval; +}, "~N"); +Clazz_defineMethod (c$, "skipUnknown", + function () { +var ch = '\u0000'; +while (this.ich < this.lineLen && JSV.source.JDXDecompressor.actions[(ch = this.line.charAt (this.ich++)).charCodeAt (0)] == 0) { +} +return ch; +}); +Clazz_defineMethod (c$, "readSignedFloat", function () { -if (this.dupCount > 0) { ---this.dupCount; -this.yval = (this.lastDif == -2147483648 ? this.yval : this.yval + this.lastDif); -return this.yval; -}if (this.difVal != -2147483648) { -this.yval += this.difVal; -this.lastDif = this.difVal; -this.difVal = -2147483648; -return this.yval; -}if (this.ich == this.lineLen) return NaN; -var ch = this.line.charAt (this.ich); -if (this.debugging) JU.Logger.info ("" + ch); +var ich0 = this.ich; +var ch = '\u0000'; +while (this.ich < this.lineLen && " ,\t\n".indexOf (ch = this.line.charAt (this.ich)) >= 0) this.ich++; + +var factor = 1; switch (ch) { -case '%': -this.difVal = 0; +case '-': +factor = -1; +case '+': +ich0 = ++this.ich; break; +} +if (this.scanToNonnumeric () == 'E' && this.ich + 3 < this.lineLen) { +switch (this.line.charAt (this.ich + 1)) { +case '-': +case '+': +this.ich += 4; +if (this.ich < this.lineLen && (ch = this.line.charAt (this.ich)) >= '0' && ch <= '9') this.ich++; +break; +} +}return factor * Double.parseDouble (this.line.substring (ich0, this.ich)); +}); +Clazz_defineMethod (c$, "getDuplicate", + function (yval) { +this.dupCount--; +return (this.isDIF ? yval + this.lastDif : yval); +}, "~N"); +Clazz_defineMethod (c$, "readNextInteger", + function (n) { +var c = String.fromCharCode (0); +while (this.ich < this.lineLen && (c = this.line.charAt (this.ich)) >= '0' && c <= '9') { +n = n * 10 + (n < 0 ? 48 - c.charCodeAt (0) : c.charCodeAt (0) - 48); +this.ich++; +} +return n; +}, "~N"); +Clazz_defineMethod (c$, "readNextSqueezedNumber", + function (ch) { +var ich0 = this.ich; +this.scanToNonnumeric (); +return Double.parseDouble ((ch.charCodeAt (0) > 0x60 ? 0x60 - ch.charCodeAt (0) : ch.charCodeAt (0) - 0x40) + this.line.substring (ich0, this.ich)); +}, "~S"); +Clazz_defineMethod (c$, "scanToNonnumeric", + function () { +var ch = String.fromCharCode (0); +while (this.ich < this.lineLen && ((ch = this.line.charAt (this.ich)) == '.' || ch >= '0' && ch <= '9')) this.ich++; + +return (this.ich < this.lineLen ? ch : '\0'); +}); +Clazz_defineMethod (c$, "getNPointsFound", +function () { +return this.nptsFound; +}); +Clazz_overrideMethod (c$, "hasNext", +function () { +return (this.ich < this.lineLen || this.dupCount > 0); +}); +Clazz_overrideMethod (c$, "next", +function () { +return (this.hasNext () ? Double.$valueOf (this.lastY = this.nextValue (this.lastY)) : null); +}); +Clazz_overrideMethod (c$, "remove", +function () { +}); +Clazz_defineStatics (c$, +"delimiters", " ,\t\n", +"actions", Clazz_newIntArray (255, 0), +"ACTION_INVALID", -1, +"ACTION_UNKNOWN", 0, +"ACTION_DIF", 1, +"ACTION_DUP", 2, +"ACTION_SQZ", 3, +"ACTION_NUMERIC", 4, +"INVALID_Y", 1.7976931348623157E308); +{ +for (var i = 0x25; i <= 0x73; i++) { +var c = String.fromCharCode (i); +switch (c) { +case '%': case 'J': case 'K': case 'L': @@ -73178,8 +74068,6 @@ case 'O': case 'P': case 'Q': case 'R': -this.difVal = ch.charCodeAt (0) - 73; -break; case 'j': case 'k': case 'l': @@ -73189,20 +74077,7 @@ case 'o': case 'p': case 'q': case 'r': -this.difVal = 105 - ch.charCodeAt (0); -break; -case 'S': -case 'T': -case 'U': -case 'V': -case 'W': -case 'X': -case 'Y': -case 'Z': -this.dupCount = ch.charCodeAt (0) - 82; -break; -case 's': -this.dupCount = 9; +JSV.source.JDXDecompressor.actions[i] = 1; break; case '+': case '-': @@ -73217,68 +74092,11 @@ case '6': case '7': case '8': case '9': -case '@': -case 'A': -case 'B': -case 'C': -case 'D': -case 'E': -case 'F': -case 'G': -case 'H': -case 'I': -case 'a': -case 'b': -case 'c': -case 'd': -case 'e': -case 'f': -case 'g': -case 'h': -case 'i': -this.lastDif = -2147483648; -return this.getValue (); +JSV.source.JDXDecompressor.actions[i] = 4; +break; case '?': -this.lastDif = -2147483648; -return NaN; -default: -this.ich++; -this.lastDif = -2147483648; -return this.getYValue (); -} -this.ich++; -if (this.difVal != -2147483648) this.difVal = this.getDifDup (this.difVal); - else this.dupCount = this.getDifDup (this.dupCount) - 1; -return this.getYValue (); -}); -Clazz_defineMethod (c$, "getDifDup", - function (i) { -var ich0 = this.ich; -this.next (); -var s = i + this.line.substring (ich0, this.ich); -return (ich0 == this.ich ? i : Integer.$valueOf (s).intValue ()); -}, "~N"); -Clazz_defineMethod (c$, "getValue", - function () { -var ich0 = this.ich; -if (this.ich == this.lineLen) return NaN; -var ch = this.line.charAt (this.ich); -var leader = 0; -switch (ch) { -case '+': -case '-': -case '.': -case '0': -case '1': -case '2': -case '3': -case '4': -case '5': -case '6': -case '7': -case '8': -case '9': -return this.getValueDelim (); +JSV.source.JDXDecompressor.actions[i] = -1; +break; case '@': case 'A': case 'B': @@ -73289,9 +74107,6 @@ case 'F': case 'G': case 'H': case 'I': -leader = ch.charCodeAt (0) - 64; -ich0 = ++this.ich; -break; case 'a': case 'b': case 'c': @@ -73301,53 +74116,22 @@ case 'f': case 'g': case 'h': case 'i': -leader = 96 - ch.charCodeAt (0); -ich0 = ++this.ich; +JSV.source.JDXDecompressor.actions[i] = 3; break; -default: -this.ich++; -return this.getValue (); -} -this.next (); -return Double.$valueOf (leader + this.line.substring (ich0, this.ich)).doubleValue (); -}); -Clazz_defineMethod (c$, "getValueDelim", - function () { -var ich0 = this.ich; -var ch = '\u0000'; -while (this.ich < this.lineLen && " ,\t\n".indexOf (ch = this.line.charAt (this.ich)) >= 0) this.ich++; - -var factor = 1; -switch (ch) { -case '-': -factor = -1; -case '+': -ich0 = ++this.ich; +case 'S': +case 'T': +case 'U': +case 'V': +case 'W': +case 'X': +case 'Y': +case 'Z': +case 's': +JSV.source.JDXDecompressor.actions[i] = 2; break; } -ch = this.next (); -if (ch == 'E' && this.ich + 3 < this.lineLen) switch (this.line.charAt (this.ich + 1)) { -case '-': -case '+': -this.ich += 4; -if (this.ich < this.lineLen && (ch = this.line.charAt (this.ich)) >= '0' && ch <= '9') this.ich++; -break; } -return factor * ((Double.$valueOf (this.line.substring (ich0, this.ich))).doubleValue ()); -}); -Clazz_defineMethod (c$, "next", - function () { -while (this.ich < this.lineLen && "+-%@ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrs? ,\t\n".indexOf (this.line.charAt (this.ich)) < 0) this.ich++; - -return (this.ich == this.lineLen ? '\0' : this.line.charAt (this.ich)); -}); -Clazz_defineMethod (c$, "testAlgorithm", - function () { -}); -Clazz_defineStatics (c$, -"allDelim", "+-%@ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrs? ,\t\n", -"WHITE_SPACE", " ,\t\n"); -}); +}}); Clazz_declarePackage ("JSV.source"); Clazz_load (["JU.Lst"], "JSV.source.JDXHeader", null, function () { c$ = Clazz_decorateAsClass (function () { @@ -73483,7 +74267,7 @@ Clazz_defineStatics (c$, "typeNames", Clazz_newArray (-1, ["ND NMR SPECTRUM NMR", "NMR SPECTRUM NMR", "INFRARED SPECTRUM IR", "MASS SPECTRUM MS", "RAMAN SPECTRUM RAMAN", "GAS CHROMATOGRAM GC", "UV/VIS SPECTRUM UV/VIS"])); }); Clazz_declarePackage ("JSV.source"); -Clazz_load (["J.api.JmolJDXMOLReader"], "JSV.source.JDXReader", ["java.io.BufferedReader", "$.InputStream", "$.StringReader", "java.lang.Double", "$.Float", "java.util.Hashtable", "$.StringTokenizer", "JU.AU", "$.Lst", "$.PT", "$.SB", "JSV.api.JSVZipReader", "JSV.common.Coordinate", "$.JSVFileManager", "$.JSViewer", "$.PeakInfo", "$.Spectrum", "JSV.exception.JSVException", "JSV.source.JDXDecompressor", "$.JDXSource", "$.JDXSourceStreamTokenizer", "JU.Logger"], function () { +Clazz_load (["J.api.JmolJDXMOLReader"], "JSV.source.JDXReader", ["java.io.BufferedReader", "$.InputStream", "$.StringReader", "java.lang.Double", "$.Float", "java.util.Hashtable", "$.LinkedHashMap", "$.StringTokenizer", "javajs.api.Interface", "JU.AU", "$.Lst", "$.PT", "$.Rdr", "$.SB", "JSV.api.JSVZipReader", "JSV.common.Coordinate", "$.JSVFileManager", "$.JSViewer", "$.PeakInfo", "$.Spectrum", "JSV.exception.JSVException", "JSV.source.JDXDecompressor", "$.JDXSource", "$.JDXSourceStreamTokenizer", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { this.nmrMaxY = NaN; this.source = null; @@ -73495,6 +74279,9 @@ this.isZipFile = false; this.filePath = null; this.loadImaginary = true; this.isSimulation = false; +this.ignoreShiftReference = false; +this.ignorePeakTables = false; +this.lastErrPath = null; this.isTabularData = false; this.firstSpec = 0; this.lastSpec = 0; @@ -73527,13 +74314,33 @@ this.loadImaginary = loadImaginary; }, "~S,~B,~B,~N,~N,~N"); c$.createJDXSourceFromStream = Clazz_defineMethod (c$, "createJDXSourceFromStream", function ($in, obscure, loadImaginary, nmrMaxY) { -return JSV.source.JDXReader.createJDXSource ($in, "stream", obscure, loadImaginary, -1, -1, nmrMaxY); +return JSV.source.JDXReader.createJDXSource (null, $in, "stream", obscure, loadImaginary, -1, -1, nmrMaxY); }, "java.io.InputStream,~B,~B,~N"); +c$.getHeaderMap = Clazz_defineMethod (c$, "getHeaderMap", +function ($in, map) { +return JSV.source.JDXReader.getHeaderMapS ($in, map, null); +}, "java.io.InputStream,java.util.Map"); +c$.getHeaderMapS = Clazz_defineMethod (c$, "getHeaderMapS", +function ($in, map, suffix) { +if (map == null) map = new java.util.LinkedHashMap (); +var hlist = JSV.source.JDXReader.createJDXSource (null, $in, null, false, false, 0, -1, 0).getJDXSpectrum (0).headerTable; +for (var i = 0, n = hlist.size (); i < n; i++) { +var h = hlist.get (i); +map.put ((suffix == null ? h[2] : h[2] + suffix), h[1]); +} +return map; +}, "java.io.InputStream,java.util.Map,~S"); c$.createJDXSource = Clazz_defineMethod (c$, "createJDXSource", -function ($in, filePath, obscure, loadImaginary, iSpecFirst, iSpecLast, nmrMaxY) { +function (file, $in, filePath, obscure, loadImaginary, iSpecFirst, iSpecLast, nmrMaxY) { +var isHeaderOnly = (iSpecLast < iSpecFirst); var data = null; var br; -if (Clazz_instanceOf ($in, String) || JU.AU.isAB ($in)) { +var bytes = null; +if (JU.AU.isAB ($in)) { +bytes = $in; +if (JU.Rdr.isZipB (bytes)) { +return JSV.source.JDXReader.readBrukerFileZip (bytes, file == null ? filePath : file.getFullPath ()); +}}if (Clazz_instanceOf ($in, String) || bytes != null) { if (Clazz_instanceOf ($in, String)) data = $in; br = JSV.common.JSVFileManager.getBufferedReaderForStringOrBytes ($in); } else if (Clazz_instanceOf ($in, java.io.InputStream)) { @@ -73541,43 +74348,61 @@ br = JSV.common.JSVFileManager.getBufferedReaderForInputStream ($in); } else { br = $in; }var header = null; +var source = null; try { -if (br == null) br = JSV.common.JSVFileManager.getBufferedReaderFromName (filePath, "##TITLE"); +if (br == null) { +if (file != null && file.isDirectory ()) return JSV.source.JDXReader.readBrukerFileDir (file.getFullPath ()); +br = JSV.common.JSVFileManager.getBufferedReaderFromName (filePath, "##TITLE"); +}if (!isHeaderOnly) { br.mark (400); var chs = Clazz_newCharArray (400, '\0'); br.read (chs, 0, 400); br.reset (); header = String.instantialize (chs); -var source = null; -var pt1 = header.indexOf ('#'); +if (header.startsWith ("PK")) { +br.close (); +return JSV.source.JDXReader.readBrukerFileZip (null, file.getFullPath ()); +}if (header.indexOf ('\0') >= 0 || header.indexOf ('\uFFFD') >= 0 || header.indexOf ("##TITLE= Parameter file") == 0 || header.indexOf ("##TITLE= Audit trail") == 0) { +br.close (); +return JSV.source.JDXReader.readBrukerFileDir (file.getParentAsFile ().getFullPath ()); +}var pt1 = header.indexOf ('#'); var pt2 = header.indexOf ('<'); if (pt1 < 0 || pt2 >= 0 && pt2 < pt1) { var xmlType = header.toLowerCase (); xmlType = (xmlType.contains (""); +break; +}continue; +}if (!isHeaderOnly) { +if (label.equals ("##DATATYPE") && value.toUpperCase ().equals ("LINK")) { this.getBlockSpectra (dataLDRTable); spectrum = null; continue; @@ -73606,16 +74435,36 @@ continue; this.getNTupleSpectra (dataLDRTable, spectrum, label); spectrum = null; continue; +}}if (label.equals ("##JCAMPDX")) { +this.setVenderSpecificValues (this.t.rawLine); }if (spectrum == null) spectrum = new JSV.common.Spectrum (); -if (this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure)) continue; -JSV.source.JDXReader.addHeader (dataLDRTable, this.t.rawLabel, value); -if (this.checkCustomTags (spectrum, label, value)) continue; +this.processLabel (spectrum, dataLDRTable, label, value, isHeaderOnly); } +if (isHeaderOnly && spectrum != null) this.addSpectrum (spectrum, false); } if (!isOK) throw new JSV.exception.JSVException ("##TITLE record not found"); this.source.setErrorLog (this.errorLog.toString ()); return this.source; -}, "~O"); +}, "~O,~B"); +Clazz_defineMethod (c$, "processLabel", + function (spectrum, dataLDRTable, label, value, isHeaderOnly) { +if (!this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure, isHeaderOnly) && !isHeaderOnly) return; +JSV.source.JDXReader.addHeader (dataLDRTable, this.t.rawLabel, value); +if (!isHeaderOnly) this.checkCustomTags (spectrum, label, value); +}, "JSV.common.Spectrum,JU.Lst,~S,~S,~B"); +Clazz_defineMethod (c$, "logError", + function (err) { +this.errorLog.append (this.filePath == null || this.filePath.equals (this.lastErrPath) ? "" : this.filePath).append ("\n").append (err).append ("\n"); +this.lastErrPath = this.filePath; +}, "~S"); +Clazz_defineMethod (c$, "setVenderSpecificValues", + function (rawLine) { +if (rawLine.indexOf ("JEOL") >= 0) { +System.out.println ("Skipping ##SHIFTREFERENCE for JEOL " + rawLine); +this.ignoreShiftReference = true; +}if (rawLine.indexOf ("MestReNova") >= 0) { +this.ignorePeakTables = true; +}}, "~S"); Clazz_defineMethod (c$, "getValue", function (label) { var value = (this.isTabularDataLabel (label) ? "" : this.t.getValue ()); @@ -73645,8 +74494,8 @@ throw e; } } }if (this.acdMolFile != null) JSV.common.JSVFileManager.cachePut ("mol", this.acdMolFile); -}if (!Float.isNaN (this.nmrMaxY)) spectrum.doNormalize (this.nmrMaxY); - else if (spectrum.getMaxY () >= 10000) spectrum.doNormalize (1000); +}if (!Float.isNaN (this.nmrMaxY)) spectrum.normalizeSimulation (this.nmrMaxY); + else if (spectrum.getMaxY () >= 10000) spectrum.normalizeSimulation (1000); if (this.isSimulation) spectrum.setSimulated (this.filePath); this.nSpec++; if (this.firstSpec > 0 && this.nSpec < this.firstSpec) return true; @@ -73677,7 +74526,7 @@ this.source.isCompoundSource = true; var dataLDRTable; var spectrum = new JSV.common.Spectrum (); dataLDRTable = new JU.Lst (); -this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure); +this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure, false); try { var tmp; while ((tmp = this.t.getLabel ()) != null) { @@ -73686,14 +74535,18 @@ JU.Logger.debug ("##END= " + this.t.getValue ()); break; }label = tmp; if (this.isTabularData) { -this.setTabularDataType (spectrum, label); -if (!this.processTabularData (spectrum, dataLDRTable)) throw new JSV.exception.JSVException ("Unable to read Block Source"); +this.processTabularData (spectrum, dataLDRTable, label, false); continue; -}if (label.equals ("##DATATYPE") && value.toUpperCase ().equals ("LINK")) { +}if (label.equals ("##DATATYPE")) { +if (value.toUpperCase ().equals ("LINK")) { this.getBlockSpectra (dataLDRTable); spectrum = null; label = null; -} else if (label.equals ("##NTUPLES") || label.equals ("##VARNAME")) { +} else if (value.toUpperCase ().startsWith ("NMR PEAK")) { +if (this.ignorePeakTables) { +this.done = true; +return this.source; +}}} else if (label.equals ("##NTUPLES") || label.equals ("##VARNAME")) { this.getNTupleSpectra (dataLDRTable, spectrum, label); spectrum = null; label = ""; @@ -73710,12 +74563,11 @@ if (spectrum.getXYCoords ().length > 0 && !this.addSpectrum (spectrum, forceSub) spectrum = new JSV.common.Spectrum (); dataLDRTable = new JU.Lst (); continue; -}if (this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure)) continue; -JSV.source.JDXReader.addHeader (dataLDRTable, this.t.rawLabel, value); -if (this.checkCustomTags (spectrum, label, value)) continue; +}this.processLabel (spectrum, dataLDRTable, label, value, false); } } catch (e) { if (Clazz_exceptionOf (e, Exception)) { +if (!JSV.common.JSViewer.isJS) e.printStackTrace (); throw new JSV.exception.JSVException (e.getMessage ()); } else { throw e; @@ -73728,14 +74580,14 @@ return this.source; }, "JU.Lst"); Clazz_defineMethod (c$, "addErrorLogSeparator", function () { -if (this.errorLog.length () > 0 && this.errorLog.lastIndexOf ("=====================\n") != this.errorLog.length () - "=====================\n".length) this.errorLog.append ("=====================\n"); +if (this.errorLog.length () > 0 && this.errorLog.lastIndexOf ("=====================\n") != this.errorLog.length () - "=====================\n".length) this.logError ("=====================\n"); }); Clazz_defineMethod (c$, "getNTupleSpectra", function (sourceLDRTable, spectrum0, label) { var minMaxY = Clazz_newDoubleArray (-1, [1.7976931348623157E308, 4.9E-324]); this.blockID = Math.random (); var isOK = true; -if (this.firstSpec > 0) spectrum0.numDim = 1; +if (this.firstSpec > 0) spectrum0.setNumDim (1); var isVARNAME = label.equals ("##VARNAME"); if (!isVARNAME) { label = ""; @@ -73773,7 +74625,7 @@ spectrum.setTitle (spectrum0.getTitle ()); if (!spectrum.is1D ()) { var pt = page.indexOf ('='); if (pt >= 0) try { -spectrum.setY2D (Double.parseDouble (page.substring (pt + 1).trim ())); +spectrum.setY2D (this.parseAFFN (page.substring (0, pt), page.substring (pt + 1).trim ())); var y2dUnits = page.substring (0, pt).trim (); var i = symbols.indexOf (y2dUnits); if (i >= 0) spectrum.setY2DUnits (nTupleTable.get ("##UNITS").get (i)); @@ -73825,115 +74677,111 @@ JU.Logger.info ("NTUPLE MIN/MAX Y = " + minMaxY[0] + " " + minMaxY[1]); return this.source; }, "JU.Lst,JSV.source.JDXDataObject,~S"); Clazz_defineMethod (c$, "readDataLabel", - function (spectrum, label, value, errorLog, obscure) { -if (JSV.source.JDXReader.readHeaderLabel (spectrum, label, value, errorLog, obscure)) return true; + function (spectrum, label, value, errorLog, obscure, isHeaderOnly) { +if (!JSV.source.JDXReader.readHeaderLabel (spectrum, label, value, errorLog, obscure)) return false; label += " "; -if (("##MINX ##MINY ##MAXX ##MAXY ##FIRSTY ##DELTAX ##DATACLASS ").indexOf (label) >= 0) return true; +if (("##MINX ##MINY ##MAXX ##MAXY ##FIRSTY ##DELTAX ##DATACLASS ").indexOf (label) >= 0) return false; switch (("##FIRSTX ##LASTX ##NPOINTS ##XFACTOR ##YFACTOR ##XUNITS ##YUNITS ##XLABEL ##YLABEL ##NUMDIM ##OFFSET ").indexOf (label)) { case 0: -spectrum.fileFirstX = Double.parseDouble (value); -return true; +spectrum.fileFirstX = this.parseAFFN (label, value); +return false; case 10: -spectrum.fileLastX = Double.parseDouble (value); -return true; +spectrum.fileLastX = this.parseAFFN (label, value); +return false; case 20: -spectrum.nPointsFile = Integer.parseInt (value); -return true; +spectrum.fileNPoints = Integer.parseInt (value); +return false; case 30: -spectrum.xFactor = Double.parseDouble (value); -return true; +spectrum.setXFactor (this.parseAFFN (label, value)); +return false; case 40: -spectrum.yFactor = Double.parseDouble (value); -return true; +spectrum.yFactor = this.parseAFFN (label, value); +return false; case 50: spectrum.setXUnits (value); -return true; +return false; case 60: spectrum.setYUnits (value); -return true; +return false; case 70: spectrum.setXLabel (value); -return false; +return true; case 80: spectrum.setYLabel (value); -return false; -case 90: -spectrum.numDim = Integer.parseInt (value); return true; +case 90: +spectrum.setNumDim (Integer.parseInt (value)); +return false; case 100: -if (spectrum.shiftRefType != 0) { -if (spectrum.offset == 1.7976931348623157E308) spectrum.offset = Double.parseDouble (value); -spectrum.dataPointNum = 1; -spectrum.shiftRefType = 1; +if (!spectrum.isShiftTypeSpecified ()) { +spectrum.setShiftReference (this.parseAFFN (label, value), 1, 1); }return false; default: -if (label.length < 17) return false; +if (label.length < 17) return true; if (label.equals ("##.OBSERVEFREQUENCY ")) { -spectrum.observedFreq = Double.parseDouble (value); -return true; +spectrum.setObservedFreq (this.parseAFFN (label, value)); +return false; }if (label.equals ("##.OBSERVENUCLEUS ")) { spectrum.setObservedNucleus (value); -return true; -}if ((label.equals ("##$REFERENCEPOINT ")) && (spectrum.shiftRefType != 0)) { -spectrum.offset = Double.parseDouble (value); -spectrum.dataPointNum = 1; -spectrum.shiftRefType = 2; +return false; +}if (label.equals ("##$REFERENCEPOINT ") && !spectrum.isShiftTypeSpecified ()) { +var pt = value.indexOf (" "); +if (pt > 0) value = value.substring (0, pt); +spectrum.setShiftReference (this.parseAFFN (label, value), 1, 2); return false; }if (label.equals ("##.SHIFTREFERENCE ")) { -if (!(spectrum.dataType.toUpperCase ().contains ("SPECTRUM"))) return true; +if (this.ignoreShiftReference || !(spectrum.dataType.toUpperCase ().contains ("SPECTRUM"))) return false; value = JU.PT.replaceAllCharacters (value, ")(", ""); var srt = new java.util.StringTokenizer (value, ","); -if (srt.countTokens () != 4) return true; +if (srt.countTokens () != 4) return false; try { srt.nextToken (); srt.nextToken (); -spectrum.dataPointNum = Integer.parseInt (srt.nextToken ().trim ()); -spectrum.offset = Double.parseDouble (srt.nextToken ().trim ()); +var pt = Integer.parseInt (srt.nextToken ().trim ()); +var shift = this.parseAFFN (label, srt.nextToken ().trim ()); +spectrum.setShiftReference (shift, pt, 0); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { -return true; } else { throw e; } } -if (spectrum.dataPointNum <= 0) spectrum.dataPointNum = 1; -spectrum.shiftRefType = 0; -return true; -}} return false; -}, "JSV.source.JDXDataObject,~S,~S,JU.SB,~B"); +}return true; +} +}, "JSV.source.JDXDataObject,~S,~S,JU.SB,~B,~B"); c$.readHeaderLabel = Clazz_defineMethod (c$, "readHeaderLabel", function (jdxHeader, label, value, errorLog, obscure) { switch (("##TITLE#####JCAMPDX###ORIGIN####OWNER#####DATATYPE##LONGDATE##DATE######TIME####").indexOf (label + "#")) { case 0: jdxHeader.setTitle (obscure || value == null || value.equals ("") ? "Unknown" : value); -return true; +return false; case 10: jdxHeader.jcampdx = value; var version = JU.PT.parseFloat (value); if (version >= 6.0 || Float.isNaN (version)) { -if (errorLog != null) errorLog.append ("Warning: JCAMP-DX version may not be fully supported: " + value + "\n"); -}return true; +if (errorLog != null) errorLog.append ("Warning: JCAMP-DX version may not be fully supported: " + value); +}return false; case 20: jdxHeader.origin = (value != null && !value.equals ("") ? value : "Unknown"); -return true; +return false; case 30: jdxHeader.owner = (value != null && !value.equals ("") ? value : "Unknown"); -return true; +return false; case 40: jdxHeader.dataType = value; -return true; +return false; case 50: jdxHeader.longDate = value; -return true; +return false; case 60: jdxHeader.date = value; -return true; +return false; case 70: jdxHeader.time = value; -return true; -} return false; +} +return true; }, "JSV.source.JDXHeader,~S,~S,JU.SB,~B"); Clazz_defineMethod (c$, "setTabularDataType", function (spectrum, label) { @@ -73943,12 +74791,13 @@ if (label.equals ("##PEAKASSIGNMENTS")) spectrum.setDataClass ("PEAKASSIGNMENTS" else if (label.equals ("##XYPOINTS")) spectrum.setDataClass ("XYPOINTS"); }, "JSV.source.JDXDataObject,~S"); Clazz_defineMethod (c$, "processTabularData", - function (spec, table) { + function (spec, table, label, isHeaderOnly) { +this.setTabularDataType (spec, label); spec.setHeaderTable (table); if (spec.dataClass.equals ("XYDATA")) { -spec.checkRequiredTokens (); -this.decompressData (spec, null); -return true; +spec.checkJDXRequiredTokens (); +if (!isHeaderOnly) this.decompressData (spec, null); +return; }if (spec.dataClass.equals ("PEAKTABLE") || spec.dataClass.equals ("XYPOINTS")) { spec.setContinuous (spec.dataClass.equals ("XYPOINTS")); try { @@ -73960,32 +74809,36 @@ throw e; } } var xyCoords; -if (spec.xFactor != 1.7976931348623157E308 && spec.yFactor != 1.7976931348623157E308) xyCoords = JSV.common.Coordinate.parseDSV (this.t.getValue (), spec.xFactor, spec.yFactor); - else xyCoords = JSV.common.Coordinate.parseDSV (this.t.getValue (), 1, 1); -spec.setXYCoords (xyCoords); +if (spec.xFactor != 1.7976931348623157E308 && spec.yFactor != 1.7976931348623157E308) { +var data = this.t.getValue (); +xyCoords = JSV.common.Coordinate.parseDSV (data, spec.xFactor, spec.yFactor); +} else { +xyCoords = JSV.common.Coordinate.parseDSV (this.t.getValue (), 1, 1); +}spec.setXYCoords (xyCoords); var fileDeltaX = JSV.common.Coordinate.deltaX (xyCoords[xyCoords.length - 1].getXVal (), xyCoords[0].getXVal (), xyCoords.length); spec.setIncreasing (fileDeltaX > 0); -return true; -}return false; -}, "JSV.source.JDXDataObject,JU.Lst"); +return; +}throw new JSV.exception.JSVException ("Unable to read JDX file tabular data for line " + this.t.labelLineNo); +}, "JSV.source.JDXDataObject,JU.Lst,~S,~B"); Clazz_defineMethod (c$, "readNTUPLECoords", function (spec, nTupleTable, plotSymbols, minMaxY) { var list; +var label; if (spec.dataClass.equals ("XYDATA")) { list = nTupleTable.get ("##SYMBOL"); var index1 = list.indexOf (plotSymbols[0]); var index2 = list.indexOf (plotSymbols[1]); list = nTupleTable.get ("##VARNAME"); -spec.varName = list.get (index2).toUpperCase (); -list = nTupleTable.get ("##FACTOR"); -spec.xFactor = Double.parseDouble (list.get (index1)); -spec.yFactor = Double.parseDouble (list.get (index2)); -list = nTupleTable.get ("##LAST"); -spec.fileLastX = Double.parseDouble (list.get (index1)); -list = nTupleTable.get ("##FIRST"); -spec.fileFirstX = Double.parseDouble (list.get (index1)); +spec.setVarName (list.get (index2).toUpperCase ()); +list = nTupleTable.get (label = "##FACTOR"); +spec.setXFactor (this.parseAFFN (label, list.get (index1))); +spec.setYFactor (this.parseAFFN (label, list.get (index2))); +list = nTupleTable.get (label = "##LAST"); +spec.fileLastX = this.parseAFFN (label, list.get (index1)); +list = nTupleTable.get (label = "##FIRST"); +spec.fileFirstX = this.parseAFFN (label, list.get (index1)); list = nTupleTable.get ("##VARDIM"); -spec.nPointsFile = Integer.parseInt (list.get (index1)); +spec.fileNPoints = Integer.parseInt (list.get (index1)); list = nTupleTable.get ("##UNITS"); spec.setXUnits (list.get (index1)); spec.setYUnits (list.get (index2)); @@ -74008,16 +74861,34 @@ spec.setXYCoords (JSV.common.Coordinate.parseDSV (this.t.getValue (), spec.xFact return true; }return false; }, "JSV.source.JDXDataObject,java.util.Map,~A,~A"); +Clazz_defineMethod (c$, "parseAFFN", + function (label, val) { +var pt = val.indexOf ("E"); +if (pt > 0) { +var len = val.length; +var ch; +switch (len - pt) { +case 2: +case 3: +this.logError ("Warning - " + label + " value " + val + " is not of the format xxxE[+/-]nn or xxxE[+/-]nnn (spec. 4.5.3) -- warning only; accepted"); +break; +case 4: +case 5: +if ((ch = val.charAt (pt + 1)) == '+' || ch == '-') break; +default: +this.logError ("Error - " + label + " value " + val + " is not of the format xxxE[+/-]nn or xxxE[+/-]nnn (spec. 4.5.3) -- " + val.substring (pt) + " ignored!"); +val = val.substring (0, pt); +} +}return Double.parseDouble (val); +}, "~S,~S"); Clazz_defineMethod (c$, "decompressData", function (spec, minMaxY) { var errPt = this.errorLog.length (); -var fileDeltaX = JSV.common.Coordinate.deltaX (spec.fileLastX, spec.fileFirstX, spec.nPointsFile); -spec.setIncreasing (fileDeltaX > 0); +spec.setIncreasing (spec.fileLastX > spec.fileFirstX); spec.setContinuous (true); -var decompressor = new JSV.source.JDXDecompressor (this.t, spec.fileFirstX, spec.xFactor, spec.yFactor, fileDeltaX, spec.nPointsFile); -var firstLastX = Clazz_newDoubleArray (2, 0); +var decompressor = new JSV.source.JDXDecompressor (this.t, spec.fileFirstX, spec.fileLastX, spec.xFactor, spec.yFactor, spec.fileNPoints); var t = System.currentTimeMillis (); -var xyCoords = decompressor.decompressData (this.errorLog, firstLastX); +var xyCoords = decompressor.decompressData (this.errorLog); if (JU.Logger.debugging) JU.Logger.debug ("decompression time = " + (System.currentTimeMillis () - t) + " ms"); spec.setXYCoords (xyCoords); var d = decompressor.getMinY (); @@ -74025,26 +74896,21 @@ if (minMaxY != null) { if (d < minMaxY[0]) minMaxY[0] = d; d = decompressor.getMaxY (); if (d > minMaxY[1]) minMaxY[1] = d; -}var freq = (Double.isNaN (spec.freq2dX) ? spec.observedFreq : spec.freq2dX); -if (spec.offset != 1.7976931348623157E308 && freq != 1.7976931348623157E308 && spec.dataType.toUpperCase ().contains ("SPECTRUM")) { -JSV.common.Coordinate.applyShiftReference (xyCoords, spec.dataPointNum, spec.fileFirstX, spec.fileLastX, spec.offset, freq, spec.shiftRefType); -}if (freq != 1.7976931348623157E308 && spec.getXUnits ().toUpperCase ().equals ("HZ")) { -JSV.common.Coordinate.applyScale (xyCoords, (1.0 / freq), 1); -spec.setXUnits ("PPM"); -spec.setHZtoPPM (true); -}if (this.errorLog.length () != errPt) { -this.errorLog.append (spec.getTitle ()).append ("\n"); -this.errorLog.append ("firstX: " + spec.fileFirstX + " Found " + firstLastX[0] + "\n"); -this.errorLog.append ("lastX from Header " + spec.fileLastX + " Found " + firstLastX[1] + "\n"); -this.errorLog.append ("deltaX from Header " + fileDeltaX + "\n"); -this.errorLog.append ("Number of points in Header " + spec.nPointsFile + " Found " + xyCoords.length + "\n"); +}spec.finalizeCoordinates (); +if (this.errorLog.length () != errPt) { +var fileDeltaX = JSV.common.Coordinate.deltaX (spec.fileLastX, spec.fileFirstX, spec.fileNPoints); +this.logError (spec.getTitle ()); +this.logError ("firstX from Header " + spec.fileFirstX); +this.logError ("lastX from Header " + spec.fileLastX + " Found " + decompressor.lastX); +this.logError ("deltaX from Header " + fileDeltaX); +this.logError ("Number of points in Header " + spec.fileNPoints + " Found " + decompressor.getNPointsFound ()); } else { }if (JU.Logger.debugging) { System.err.println (this.errorLog.toString ()); }}, "JSV.source.JDXDataObject,~A"); c$.addHeader = Clazz_defineMethod (c$, "addHeader", function (table, label, value) { -var entry; +var entry = null; for (var i = 0; i < table.size (); i++) if ((entry = table.get (i))[0].equals (label)) { entry[1] = value; return; @@ -74077,7 +74943,7 @@ break; case 40: case 50: case 60: -this.acdAssignments = this.mpr.readACDAssignments (spectrum.nPointsFile, pt == 40); +this.acdAssignments = this.mpr.readACDAssignments ((spectrum).fileNPoints, pt == 40); break; } } catch (e) { @@ -74100,9 +74966,9 @@ function () { return this.reader.readLine (); }); Clazz_overrideMethod (c$, "setSpectrumPeaks", -function (nH, piUnitsX, piUnitsY) { -this.modelSpectrum.setPeakList (this.peakData, piUnitsX, piUnitsY); -if (this.modelSpectrum.isNMR ()) this.modelSpectrum.setNHydrogens (nH); +function (nH, peakXLabel, peakYlabel) { +this.modelSpectrum.setPeakList (this.peakData, peakXLabel, peakYlabel); +if (this.modelSpectrum.isNMR ()) this.modelSpectrum.setHydrogenCount (nH); }, "~N,~S,~S"); Clazz_overrideMethod (c$, "addPeakData", function (info) { @@ -74250,6 +75116,7 @@ this.value = null; this.labelLineNo = 0; this.line = null; this.lineNo = 0; +this.rawLine = null; Clazz_instantialize (this, arguments); }, JSV.source, "JDXSourceStreamTokenizer"); Clazz_makeConstructor (c$, @@ -74286,6 +75153,7 @@ throw e; if (this.line.startsWith ("##")) break; this.line = null; } +this.rawLine = this.line; var pt = this.line.indexOf ("="); if (pt < 0) { if (isGet) JU.Logger.info ("BAD JDX LINE -- no '=' (line " + this.lineNo + "): " + this.line); diff --git a/qmpy/web/static/js/jsmol/j2s/core/corejmoljsv.z.js b/qmpy/web/static/js/jsmol/j2s/core/corejmoljsv.z.js index 6ff741bc..2dfba591 100644 --- a/qmpy/web/static/js/jsmol/j2s/core/corejmoljsv.z.js +++ b/qmpy/web/static/js/jsmol/j2s/core/corejmoljsv.z.js @@ -1,1199 +1,1208 @@ 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c=e.indexOf("E");d=JU.PT.parseInt(e.substring(c+1))+d;if(0>c)e=""+a;else{e=JU.PT.parseFloat(e.substring(0,c));if(10==e||-10==e)e/=10,d+=0>d?1:-1;e=JU.DF.formatDecimal(e,b-1)}return e+"E"+(0<=d?"+":"")+d}b>=JU.DF.formattingStrings.length&&(b=JU.DF.formattingStrings.length- -1);e=(""+a).toUpperCase();d=e.indexOf(".");if(0>d)return e+JU.DF.formattingStrings[b].substring(1);var f=e.startsWith("-");f&&(e=e.substring(1),d--);c=e.indexOf("E-");0Math.abs(this.determinant3()-1)})});r("JU");x(["JU.M34"],"JU.M4",["JU.T3"],function(){c$=v(function(){this.m33=this.m32=this.m31=this.m30=this.m23=this.m13=this.m03=0;s(this,arguments)},JU,"M4",JU.M34);c$.newA16=c(c$,"newA16",function(a){var b=new JU.M4;b.m00=a[0];b.m01= -a[1];b.m02=a[2];b.m03=a[3];b.m10=a[4];b.m11=a[5];b.m12=a[6];b.m13=a[7];b.m20=a[8];b.m21=a[9];b.m22=a[10];b.m23=a[11];b.m30=a[12];b.m31=a[13];b.m32=a[14];b.m33=a[15];return b},"~A");c$.newM4=c(c$,"newM4",function(a){var b=new JU.M4;if(null==a)return 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this.setScale(1),!1;a=Math.cos(c);c=Math.sin(c);d=-d/f;b/=f;f=a-1;this.m00=1+f*d*d;this.m01=this.m10=f*d*b;this.m20=-(this.m02=c*d);this.m11=1+f*b*b;this.m21=-(this.m12=c*b);this.m22=a;return!0},"~N,~N,~N");c(c$,"isRotation",function(){return 0.001>Math.abs(this.determinant3()-1)})});m("JU");x(["JU.M34"], +"JU.M4",["JU.T3"],function(){c$=u(function(){this.m33=this.m32=this.m31=this.m30=this.m23=this.m13=this.m03=0;t(this,arguments)},JU,"M4",JU.M34);c$.newA16=c(c$,"newA16",function(a){var b=new JU.M4;b.m00=a[0];b.m01=a[1];b.m02=a[2];b.m03=a[3];b.m10=a[4];b.m11=a[5];b.m12=a[6];b.m13=a[7];b.m20=a[8];b.m21=a[9];b.m22=a[10];b.m23=a[11];b.m30=a[12];b.m31=a[13];b.m32=a[14];b.m33=a[15];return b},"~A");c$.newM4=c(c$,"newM4",function(a){var b=new JU.M4;if(null==a)return b.setIdentity(),b;b.setToM3(a);b.m03=a.m03; +b.m13=a.m13;b.m23=a.m23;b.m30=a.m30;b.m31=a.m31;b.m32=a.m32;b.m33=a.m33;return b},"JU.M4");c$.newMV=c(c$,"newMV",function(a,b){var d=new JU.M4;d.setMV(a,b);return 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3:b[0]=this.m30;b[1]=this.m31;b[2]=this.m32;b[3]=this.m33;return}this.err()},"~N,~A");c(c$,"setColumn4",function(a,b,d,f,c){0==a?(this.m00=b,this.m10=d,this.m20=f,this.m30=c):1==a?(this.m01=b,this.m11=d,this.m21=f,this.m31=c):2==a?(this.m02=b,this.m12=d,this.m22=f,this.m32=c):3==a?(this.m03=b,this.m13=d,this.m23=f,this.m33=c):this.err()},"~N,~N,~N,~N,~N");c(c$,"setColumnA",function(a,b){3>a&&this.setColumn33(a,b);switch(a){case 0:this.m30= +b[3];break;case 1:this.m31=b[3];break;case 2:this.m32=b[3];break;case 3:this.m03=b[0];this.m13=b[1];this.m23=b[2];this.m33=b[3];break;default:this.err()}},"~N,~A");c(c$,"getColumn",function(a,b){3>a&&this.getColumn33(a,b);switch(a){case 0:b[3]=this.m30;break;case 1:b[3]=this.m31;break;case 2:b[3]=this.m32;break;case 3:b[0]=this.m03;b[1]=this.m13;b[2]=this.m23;b[3]=this.m33;break;default:this.err()}},"~N,~A");c(c$,"sub",function(a){this.sub33(a);this.m03-=a.m03;this.m13-=a.m13;this.m23-=a.m23;this.m30-= 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+this.m13*(this.m22*this.m30-this.m20*this.m32)+this.m10*(this.m23*this.m32-this.m22*this.m33),this.m22*(this.m00*this.m33-this.m03*this.m30)+this.m23*(this.m02*this.m30-this.m00*this.m32)+this.m20*(this.m03*this.m32-this.m02*this.m33),this.m32*(this.m00*this.m13-this.m03*this.m10)+this.m33*(this.m02*this.m10-this.m00*this.m12)+this.m30*(this.m03*this.m12-this.m02*this.m13),this.m02*(this.m13*this.m20-this.m10*this.m23)+this.m03*(this.m10*this.m22-this.m12*this.m20)+this.m00*(this.m12*this.m23-this.m13* 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+this.m11*this.m23)+this.m01*(this.m10*this.m23-this.m13*this.m20),this.m10*(this.m22*this.m31-this.m21*this.m32)+this.m11*(this.m20*this.m32-this.m22*this.m30)+this.m12*(this.m21*this.m30-this.m20*this.m31),this.m20*(this.m02*this.m31-this.m01*this.m32)+this.m21*(this.m00*this.m32-this.m02*this.m30)+this.m22*(this.m01*this.m30-this.m00*this.m31),this.m30*(this.m02*this.m11-this.m01*this.m12)+this.m31*(this.m00*this.m12-this.m02*this.m10)+this.m32*(this.m01*this.m10-this.m00*this.m11),this.m00*(this.m11* +this.m22-this.m12*this.m21)+this.m01*(this.m12*this.m20-this.m10*this.m22)+this.m02*(this.m10*this.m21-this.m11*this.m20));this.scale(a);return this});c(c$,"set",function(a,b,d,f,c,e,j,k,l,h,n,q,B,y,F,I){this.m00=a;this.m01=b;this.m02=d;this.m03=f;this.m10=c;this.m11=e;this.m12=j;this.m13=k;this.m20=l;this.m21=h;this.m22=n;this.m23=q;this.m30=B;this.m31=y;this.m32=F;this.m33=I},"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"determinant4",function(){return(this.m00*this.m11-this.m01*this.m10)* +(this.m22*this.m33-this.m23*this.m32)-(this.m00*this.m12-this.m02*this.m10)*(this.m21*this.m33-this.m23*this.m31)+(this.m00*this.m13-this.m03*this.m10)*(this.m21*this.m32-this.m22*this.m31)+(this.m01*this.m12-this.m02*this.m11)*(this.m20*this.m33-this.m23*this.m30)-(this.m01*this.m13-this.m03*this.m11)*(this.m20*this.m32-this.m22*this.m30)+(this.m02*this.m13-this.m03*this.m12)*(this.m20*this.m31-this.m21*this.m30)});c(c$,"scale",function(a){this.mul33(a);this.m03*=a;this.m13*=a;this.m23*=a;this.m30*= 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+a.m13*b.m33,a.m20*b.m00+a.m21*b.m10+a.m22*b.m20+a.m23*b.m30,a.m20*b.m01+a.m21*b.m11+a.m22*b.m21+a.m23*b.m31,a.m20*b.m02+a.m21*b.m12+a.m22*b.m22+a.m23*b.m32,a.m20*b.m03+a.m21*b.m13+a.m22*b.m23+a.m23*b.m33,a.m30*b.m00+a.m31*b.m10+a.m32*b.m20+a.m33*b.m30,a.m30*b.m01+a.m31*b.m11+a.m32*b.m21+a.m33*b.m31,a.m30*b.m02+a.m31*b.m12+a.m32*b.m22+a.m33*b.m32,a.m30*b.m03+a.m31*b.m13+a.m32*b.m23+a.m33*b.m33)},"JU.M4,JU.M4");c(c$,"transform",function(a){this.transform2(a,a)},"JU.T4");c(c$,"transform2",function(a, +b){b.set4(this.m00*a.x+this.m01*a.y+this.m02*a.z+this.m03*a.w,this.m10*a.x+this.m11*a.y+this.m12*a.z+this.m13*a.w,this.m20*a.x+this.m21*a.y+this.m22*a.z+this.m23*a.w,this.m30*a.x+this.m31*a.y+this.m32*a.z+this.m33*a.w)},"JU.T4,JU.T4");c(c$,"rotTrans",function(a){this.rotTrans2(a,a)},"JU.T3");c(c$,"rotTrans2",function(a,b){b.set(this.m00*a.x+this.m01*a.y+this.m02*a.z+this.m03,this.m10*a.x+this.m11*a.y+this.m12*a.z+this.m13,this.m20*a.x+this.m21*a.y+this.m22*a.z+this.m23);return b},"JU.T3,JU.T3");c(c$, +"setAsXYRotation",function(a){this.setIdentity();var b=Math.cos(a);a=Math.sin(a);this.m22=b;this.m23=-a;this.m32=a;this.m33=b;return this},"~N");c(c$,"setAsYZRotation",function(a){this.setIdentity();var b=Math.cos(a);a=Math.sin(a);this.m00=b;this.m03=-a;this.m30=a;this.m33=b;return this},"~N");c(c$,"setAsXZRotation",function(a){this.setIdentity();var b=Math.cos(a);a=Math.sin(a);this.m11=b;this.m13=-a;this.m31=a;this.m33=b;return this},"~N");h(c$,"equals",function(a){return!s(a,JU.M4)?!1:this.m00== +a.m00&&this.m01==a.m01&&this.m02==a.m02&&this.m03==a.m03&&this.m10==a.m10&&this.m11==a.m11&&this.m12==a.m12&&this.m13==a.m13&&this.m20==a.m20&&this.m21==a.m21&&this.m22==a.m22&&this.m23==a.m23&&this.m30==a.m30&&this.m31==a.m31&&this.m32==a.m32&&this.m33==a.m33},"~O");h(c$,"hashCode",function(){return JU.T3.floatToIntBits(this.m00)^JU.T3.floatToIntBits(this.m01)^JU.T3.floatToIntBits(this.m02)^JU.T3.floatToIntBits(this.m03)^JU.T3.floatToIntBits(this.m10)^JU.T3.floatToIntBits(this.m11)^JU.T3.floatToIntBits(this.m12)^ +JU.T3.floatToIntBits(this.m13)^JU.T3.floatToIntBits(this.m20)^JU.T3.floatToIntBits(this.m21)^JU.T3.floatToIntBits(this.m22)^JU.T3.floatToIntBits(this.m23)^JU.T3.floatToIntBits(this.m30)^JU.T3.floatToIntBits(this.m31)^JU.T3.floatToIntBits(this.m32)^JU.T3.floatToIntBits(this.m33)});h(c$,"toString",function(){return"[\n ["+this.m00+"\t"+this.m01+"\t"+this.m02+"\t"+this.m03+"]\n ["+this.m10+"\t"+this.m11+"\t"+this.m12+"\t"+this.m13+"]\n ["+this.m20+"\t"+this.m21+"\t"+this.m22+"\t"+this.m23+"]\n ["+ +this.m30+"\t"+this.m31+"\t"+this.m32+"\t"+this.m33+"] ]"});c(c$,"round",function(a){this.m00=this.rnd(this.m00,a);this.m01=this.rnd(this.m01,a);this.m02=this.rnd(this.m02,a);this.m03=this.rnd(this.m03,a);this.m10=this.rnd(this.m10,a);this.m11=this.rnd(this.m11,a);this.m12=this.rnd(this.m12,a);this.m13=this.rnd(this.m13,a);this.m20=this.rnd(this.m20,a);this.m21=this.rnd(this.m21,a);this.m22=this.rnd(this.m22,a);this.m23=this.rnd(this.m23,a);this.m30=this.rnd(this.m30,a);this.m31=this.rnd(this.m31, +a);this.m32=this.rnd(this.m32,a);this.m33=this.rnd(this.m33,a);return this},"~N");c(c$,"rnd",function(a,b){return Math.abs(a)d&&(d=a.length-b);try{this.os.write(a, +b,d)}catch(f){if(!D(f,java.io.IOException))throw 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Its 3D structure has not been generated.")}this.rd();null!=this.line&&(this.line=this.line.trim(),a+=this.line+"\n",JU.Logger.info(a), -this.checkCurrentLineForScript(),this.asc.setInfo("fileHeader",a),this.newAtomSet(b))}});c(c$,"processCtab",function(a){a&&this.discardLinesUntilStartsWith("$CTAB");null!=this.rd()&&(0<=this.line.indexOf("V3000")?(this.optimize2D=this.is2D,this.vr=this.getInterface("J.adapter.readers.molxyz.V3000Rdr").set(this),this.discardLinesUntilContains("COUNTS"),this.vr.readAtomsAndBonds(this.getTokens())):this.readAtomsAndBonds(this.parseIntRange(this.line,0,3),this.parseIntRange(this.line,3,6)),this.applySymmetryAndSetTrajectory())}, -"~B");c(c$,"readAtomsAndBonds",function(a,b){this.atomCount=a;for(var d=0;de?c=this.line.substring(31).trim():(c=this.line.substring(31,34).trim(),c.equals("H1")&&(c="H",h=1),39<=e&&(e=this.parseIntRange(this.line,36,39),1<=e&&7>=e&&(l=4-e),e=this.parseIntRange(this.line,34,36), -0!=e&&(-3<=e&&4>=e)&&(h=J.api.JmolAdapter.getNaturalIsotope(J.api.JmolAdapter.getElementNumber(c))+e),-2147483648==m&&this.haveAtomSerials&&(m=d+1)));this.addMolAtom(m,h,c,l,f,j,k)}this.asc.setModelInfoForSet("dimension",this.is2D?"2D":"3D",this.asc.iSet);this.rd();this.line.startsWith("V ")&&this.readAtomValues();0==b&&this.asc.setNoAutoBond();for(d=0;d")?this.readMolData(d,c):this.line.startsWith("M ISO")?this.readIsotopes():this.rd();null!=this.atomData&&(f=d.get("atom_value_name"), -d.put(null==f?"atom_values":f.toString(),this.atomData));d.isEmpty()||(this.asc.setCurrentModelInfo("molDataKeys",c),this.asc.setCurrentModelInfo("molData",d))},"~N,~N");c(c$,"set2D",function(a){this.is2D=a;this.asc.setInfo("dimension",a?"2D":"3D")},"~B");c(c$,"readAtomValues",function(){this.atomData=Array(this.atomCount);for(var a=this.atomData.length;0<=--a;)this.atomData[a]="";for(;0==this.line.indexOf("V ");){a=this.parseIntAt(this.line,3);if(1>a||a>this.atomCount){JU.Logger.error("V nnn does not evalute to a valid atom number: "+ -a);break}var b=this.line.substring(6).trim();this.atomData[a-1]=b;this.rd()}});c(c$,"readIsotopes",function(){var a=this.parseIntAt(this.line,6);try{for(var b=this.asc.getLastAtomSetAtomIndex(),d=0,e=9;d <").toLowerCase(), -c="",f=null;null!=this.rd()&&!this.line.equals("$$$$")&&0=this.desiredVibrationNumber?this.doGetModel(this.modelNumber,null):this.doGetVibration(this.vibrationNumber)){this.rd(); -this.checkCurrentLineForScript();this.asc.newAtomSet();var b=this.line.trim();this.readAtoms(a);this.applySymmetryAndSetTrajectory();this.asc.setAtomSetName(b);if(this.isLastModel(this.modelNumber))return this.continuing=!1}else this.skipAtomSet(a);this.discardLinesUntilNonBlank();return!1});h(c$,"finalizeSubclassReader",function(){this.isTrajectory=!1;this.finalizeReaderASCR()});c(c$,"skipAtomSet",function(a){for(this.rd();0<=--a;)this.rd()},"~N");c(c$,"readAtoms",function(a){for(var b=0;bd.length)JU.Logger.warn("line cannot be read for XYZ atom data: "+this.line);else{var e=this.addAtomXYZSymName(d,1,null,null);this.setElementAndIsotope(e,d[0]);var c=4;switch(d.length){case 4:continue;case 5:case 6:case 8:case 9:if(0<=d[4].indexOf("."))e.partialCharge=this.parseFloatStr(d[4]);else{var f=this.parseIntStr(d[4]);-2147483648!=f&&(e.formalCharge=f)}switch(d.length){case 5:continue;case 6:e.radius=this.parseFloatStr(d[5]);continue;case 9:e.atomSerial=this.parseIntStr(d[8])}c++; -default:var f=this.parseFloatStr(d[c++]),j=this.parseFloatStr(d[c++]),d=this.parseFloatStr(d[c++]);if(Float.isNaN(f)||Float.isNaN(j)||Float.isNaN(d))continue;this.asc.addVibrationVector(e.index,f,j,d)}}}},"~N")});r("J.adapter.smarter");x(["JU.P3"],"J.adapter.smarter.Atom",["JU.AU","$.Lst","$.V3","JU.Vibration"],function(){c$=v(function(){this.index=this.atomSetIndex=0;this.bsSymmetry=null;this.atomSite=0;this.elementSymbol=null;this.elementNumber=-1;this.atomName=null;this.formalCharge=-2147483648; -this.partialCharge=NaN;this.vib=null;this.bfactor=NaN;this.foccupancy=1;this.radius=NaN;this.isHetero=!1;this.atomSerial=-2147483648;this.chainID=0;this.altLoc="\x00";this.group3=null;this.sequenceNumber=-2147483648;this.insertionCode="\x00";this.tensors=this.anisoBorU=null;this.ignoreSymmetry=!1;s(this,arguments)},J.adapter.smarter,"Atom",JU.P3,Cloneable);c(c$,"addTensor",function(a,b,d){if(null==a)return null;if(d||null==this.tensors)this.tensors=new JU.Lst;this.tensors.addLast(a);null!=b&&a.setType(b); -return a},"JU.Tensor,~S,~B");t(c$,function(){H(this,J.adapter.smarter.Atom,[]);this.set(NaN,NaN,NaN)});c(c$,"getClone",function(){var a=this.clone();null!=this.vib&&(a.vib=q(this.vib,JU.Vibration)?this.vib.clone():JU.V3.newV(a.vib));null!=this.anisoBorU&&(a.anisoBorU=JU.AU.arrayCopyF(this.anisoBorU,-1));if(null!=this.tensors){a.tensors=new JU.Lst;for(var b=this.tensors.size();0<=--b;)a.tensors.addLast(this.tensors.get(b).copyTensor())}return a});c(c$,"getElementSymbol",function(){if(null==this.elementSymbol&& -null!=this.atomName){for(var a=this.atomName.length,b=0,d=String.fromCharCode(0);b=a&&0>J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)- -65]},"~S");c$.isValidSym2=c(c$,"isValidSym2",function(a,b){return"A"<=a&&"Z">=a&&"a"<=b&&"z">=b&&0!=(J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)-65]>>b.charCodeAt(0)-97&1)},"~S,~S");c$.isValidSymNoCase=c(c$,"isValidSymNoCase",function(a,b){return J.adapter.smarter.Atom.isValidSym2(a,"a">b?String.fromCharCode(b.charCodeAt(0)+32):b)},"~S,~S");c$.isValidSymChar1=c(c$,"isValidSymChar1",function(a){return"A"<=a&&"Z">=a&&0!=J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)-65]},"~S"); -F(c$,"elementCharMasks",B(-1,[1972292,-2147351151,-2146019271,-2130706430,1441792,-2147348464,25,-2147205008,-2147344384,0,-2147352576,1179905,548936,-2147434213,-2147221504,-2145759221,0,1056947,-2147339946,-2147477097,-2147483648,-2147483648,-2147483648,8388624,-2147483646,139264]))});r("J.adapter.smarter");x(["J.api.JmolAdapterAtomIterator"],"J.adapter.smarter.AtomIterator",["java.lang.Float","J.api.JmolAdapter"],function(){c$=v(function(){this.iatom=0;this.atom=null;this.ac=0;this.bsAtoms=this.atoms= -null;s(this,arguments)},J.adapter.smarter,"AtomIterator",null,J.api.JmolAdapterAtomIterator);t(c$,function(a){this.ac=a.ac;this.atoms=a.atoms;this.bsAtoms=a.bsAtoms;this.iatom=0},"J.adapter.smarter.AtomSetCollection");h(c$,"hasNext",function(){if(this.iatom==this.ac)return!1;for(;null==(this.atom=this.atoms[this.iatom++])||null!=this.bsAtoms&&!this.bsAtoms.get(this.atom.index);)if(this.iatom==this.ac)return!1;this.atoms[this.iatom-1]=null;return!0});h(c$,"getAtomSetIndex",function(){return this.atom.atomSetIndex}); 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Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D.'); +if(this.optimize2D){this.set2D();null==this.asc.bsAtoms&&(this.asc.bsAtoms=new JU.BS,this.asc.bsAtoms.setBits(0,this.asc.ac));for(var a=this.asc.bondCount;0<=--a;){var b=this.asc.bonds[a];this.asc.atoms[b.atomIndex2].elementSymbol.equals("H")&&(1025!=b.order&&1041!=b.order)&&this.asc.bsAtoms.clear(b.atomIndex2)}}this.isTrajectory=!1;this.finalizeReaderASCR()});c(c$,"processMolSdHeader",function(){var a="",b=this.line.trim();this.asc.setCollectionName(b);a+=this.line+"\n";this.rd();if(null!=this.line){a+= +this.line+"\n";if((this.is2D=22<=this.line.length&&this.line.substring(20,22).equals("2D"))&&!this.allow2D)throw new Exception("File is 2D, not 3D");this.rd();null!=this.line&&(this.line=this.line.trim(),a+=this.line+"\n",JU.Logger.info(a),this.checkCurrentLineForScript(),this.asc.setInfo("fileHeader",a),this.newAtomSet(b))}});c(c$,"processCtab",function(a){a&&this.discardLinesUntilStartsWith("$CTAB");null!=this.rd()&&(0<=this.line.indexOf("V3000")?(this.optimize2D=this.is2D,this.vr=this.getInterface("J.adapter.readers.molxyz.V3000Rdr").set(this), +this.discardLinesUntilContains("COUNTS"),this.vr.readAtomsAndBonds(this.getTokens())):this.readAtomsAndBonds(this.parseIntRange(this.line,0,3),this.parseIntRange(this.line,3,6)),this.applySymmetryAndSetTrajectory())},"~B");c(c$,"readAtomsAndBonds",function(a,b){this.atomCount=a;for(var d=0;df?c=this.line.substring(31).trim():(c=this.line.substring(31,34).trim(),c.equals("H1")&&(c="H",h=1),39<=f&&(f=this.parseIntRange(this.line,36,39),1<=f&&7>=f&&(l=4-f),f=this.parseIntRange(this.line,34,36),0!=f&&(-3<=f&&4>=f)&&(h=J.api.JmolAdapter.getNaturalIsotope(J.api.JmolAdapter.getElementNumber(c))+f),-2147483648==n&&this.haveAtomSerials&&(n=d+1)));this.addMolAtom(n,h,c,l,e,j,k)}this.asc.setModelInfoForSet("dimension",this.is2D?"2D":"3D",this.asc.iSet);this.rd();this.line.startsWith("V ")&& +this.readAtomValues();0==b&&this.asc.setNoAutoBond();for(d=0;d")?this.readMolData(d,c):this.line.startsWith("M ISO")?this.readIsotopes():this.rd();null!=this.atomData&&(e=d.get("atom_value_name"),d.put(null==e?"atom_values":e.toString(),this.atomData));d.isEmpty()||(this.asc.setCurrentModelInfo("molDataKeys",c),this.asc.setCurrentModelInfo("molData",d))},"~N,~N");c(c$,"readAtomValues",function(){this.atomData=Array(this.atomCount);for(var a=this.atomData.length;0<=--a;)this.atomData[a]="";for(;0== +this.line.indexOf("V ");){a=this.parseIntAt(this.line,3);if(1>a||a>this.atomCount){JU.Logger.error("V nnn does not evalute to a valid atom number: "+a);break}var b=this.line.substring(6).trim();this.atomData[a-1]=b;this.rd()}});c(c$,"readIsotopes",function(){var a=this.parseIntAt(this.line,6);try{for(var b=this.asc.getLastAtomSetAtomIndex(),d=0,f=9;d <").toLowerCase(),c="",e=null;null!=this.rd()&&!this.line.equals("$$$$")&&0=this.desiredVibrationNumber?this.doGetModel(this.modelNumber,null):this.doGetVibration(this.vibrationNumber)){this.rd();this.checkCurrentLineForScript();this.asc.newAtomSet();var b=this.line.trim();this.readAtoms(a);this.applySymmetryAndSetTrajectory();this.asc.setAtomSetName(b);if(this.isLastModel(this.modelNumber))return this.continuing=!1}else this.skipAtomSet(a);this.discardLinesUntilNonBlank();return!1});h(c$,"finalizeSubclassReader",function(){this.isTrajectory=!1;this.finalizeReaderASCR()}); +c(c$,"skipAtomSet",function(a){for(this.rd();0<=--a;)this.rd()},"~N");c(c$,"readAtoms",function(a){for(var b=0;bd.length)JU.Logger.warn("line cannot be read for XYZ atom data: "+this.line);else{var f=this.addAtomXYZSymName(d,1,null,null);this.setElementAndIsotope(f,d[0]);var c=4;switch(d.length){case 4:continue;case 5:case 6:case 8:case 9:if(0<=d[4].indexOf("."))f.partialCharge=this.parseFloatStr(d[4]);else{var e=this.parseIntStr(d[4]);-2147483648!=e&& +(f.formalCharge=e)}switch(d.length){case 5:continue;case 6:f.radius=this.parseFloatStr(d[5]);continue;case 9:f.atomSerial=this.parseIntStr(d[8])}c++;default:var e=this.parseFloatStr(d[c++]),j=this.parseFloatStr(d[c++]),d=this.parseFloatStr(d[c++]);if(Float.isNaN(e)||Float.isNaN(j)||Float.isNaN(d))continue;this.asc.addVibrationVector(f.index,e,j,d)}}}},"~N")});m("J.adapter.smarter");x(["JU.P3"],"J.adapter.smarter.Atom",["JU.AU","$.Lst","$.V3","JU.Vibration"],function(){c$=u(function(){this.index=this.atomSetIndex= +0;this.bsSymmetry=null;this.atomSite=0;this.elementSymbol=null;this.elementNumber=-1;this.atomName=null;this.formalCharge=-2147483648;this.partialCharge=NaN;this.vib=null;this.bfactor=NaN;this.foccupancy=1;this.radius=NaN;this.isHetero=!1;this.atomSerial=-2147483648;this.chainID=0;this.bondRadius=NaN;this.altLoc="\x00";this.group3=null;this.sequenceNumber=-2147483648;this.insertionCode="\x00";this.tensors=this.anisoBorU=null;this.ignoreSymmetry=!1;this.typeSymbol=null;t(this,arguments)},J.adapter.smarter, +"Atom",JU.P3,Cloneable);c(c$,"addTensor",function(a,b,d){if(null==a)return null;if(d||null==this.tensors)this.tensors=new JU.Lst;this.tensors.addLast(a);null!=b&&a.setType(b);return a},"JU.Tensor,~S,~B");p(c$,function(){H(this,J.adapter.smarter.Atom,[]);this.set(NaN,NaN,NaN)});c(c$,"getClone",function(){var a;try{a=this.clone()}catch(b){if(D(b,CloneNotSupportedException))return null;throw b;}null!=this.vib&&(a.vib=s(this.vib,JU.Vibration)?this.vib.clone():JU.V3.newV(a.vib));null!=this.anisoBorU&& +(a.anisoBorU=JU.AU.arrayCopyF(this.anisoBorU,-1));if(null!=this.tensors){a.tensors=new JU.Lst;for(var d=this.tensors.size();0<=--d;)a.tensors.addLast(this.tensors.get(d).copyTensor())}return a});c(c$,"getElementSymbol",function(){if(null==this.elementSymbol&&null!=this.atomName){for(var a=this.atomName.length,b=0,d=String.fromCharCode(0);b=a&&0>J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)-65]},"~S");c$.isValidSym2=c(c$,"isValidSym2",function(a,b){return"A"<=a&&"Z">=a&&"a"<=b&&"z">=b&&0!=(J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)-65]>>b.charCodeAt(0)-97&1)},"~S,~S");c$.isValidSymNoCase=c(c$,"isValidSymNoCase", +function(a,b){return J.adapter.smarter.Atom.isValidSym2(a,"a">b?String.fromCharCode(b.charCodeAt(0)+32):b)},"~S,~S");c$.isValidSymChar1=c(c$,"isValidSymChar1",function(a){return"A"<=a&&"Z">=a&&0!=J.adapter.smarter.Atom.elementCharMasks[a.charCodeAt(0)-65]},"~S");c(c$,"copyTo",function(a,b){var d=b.newCloneAtom(this);d.setT(a);return d},"JU.P3,J.adapter.smarter.AtomSetCollection");G(c$,"elementCharMasks",A(-1,[1972292,-2147351151,-2146019271,-2130706430,1441792,-2147348464,25,-2147205008,-2147344384, +0,-2147352576,1179905,548936,-2147434213,-2147221504,-2145759221,0,1056947,-2147339946,-2147477097,-2147483648,-2147483648,-2147483648,8388624,-2147483646,139264]))});m("J.adapter.smarter");x(["J.api.JmolAdapterAtomIterator"],"J.adapter.smarter.AtomIterator",["java.lang.Float","J.api.JmolAdapter"],function(){c$=u(function(){this.iatom=0;this.atom=null;this.ac=0;this.bsAtoms=this.atoms=null;t(this,arguments)},J.adapter.smarter,"AtomIterator",null,J.api.JmolAdapterAtomIterator);p(c$,function(a){this.ac= 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b=Array(a),d=0a?this.iSet+ +1:1E6*(a+1)+b.atomSetNumbers[e]}for(f=0;fa[f].atomSetIndex)return;d[a[f].atomSetIndex].addLast(a[f])}for(f=this.atomSetCount;0<=--f;)for(var c=d[f].size();0<=--c;)a[--b]=d[f].get(c)},"~A,~N");c(c$,"reverseObject",function(a){for(var b=this.atomSetCount,d=w(b/2);0<=--d;)JU.AU.swap(a,d,b-1-d)},"~A");c$.reverseList=c(c$,"reverseList",function(a){null!=a&&java.util.Collections.reverse(a)},"JU.Lst");c(c$,"reverseArray",function(a){for(var b=this.atomSetCount,d=w(b/2);0<=--d;)JU.AU.swapInt(a, +d,b-1-d)},"~A");c(c$,"getList",function(a){var b;for(b=this.ac;0<=--b&&!(null!=this.atoms[b]&&"\x00"!=(a?this.atoms[b].altLoc:this.atoms[b].insertionCode)););if(!(0>b)){var d=Array(this.atomSetCount);for(b=0;bd[f=this.atoms[b].atomSetIndex].indexOf(c))d[f]+=c}a=a?"altLocs":"insertionCodes";for(b=0;bthis.iSet)){var a=this.atomSetAtomIndexes[this.iSet];null!= +this.bsAtoms&&this.bsAtoms.clearBits(a,this.ac);this.ac=a;this.atomSetAtomCounts[this.iSet]=0;this.iSet--;this.atomSetCount--;this.reader.doCheckUnitCell=!1}});c(c$,"getHydrogenAtomCount",function(){for(var a=0,b=0;ba.atomIndex1||0>a.atomIndex2||0>a.order||a.atomIndex1==a.atomIndex2||this.atoms[a.atomIndex1].atomSetIndex!=this.atoms[a.atomIndex2].atomSetIndex?JU.Logger.debugging&&JU.Logger.debug(">>>>>>BAD BOND:"+a.atomIndex1+"-"+a.atomIndex2+" order="+a.order):(this.bondCount==this.bonds.length&&(this.bonds=JU.AU.arrayCopyObject(this.bonds, +this.bondCount+1024)),this.bonds[this.bondCount++]=a,this.atomSetBondCounts[this.iSet]++))},"J.adapter.smarter.Bond");c(c$,"finalizeStructures",function(){if(0!=this.structureCount){this.bsStructuredModels=new JU.BS;for(var a=new java.util.Hashtable,b=0;ba-b;)a+=1;return a},"~N,~N");c(c$,"finalizeTrajectoryAs",function(a,b){this.trajectorySteps=a;this.vibrationSteps=b;this.trajectoryStepCount=a.size();this.finalizeTrajectory()},"JU.Lst,JU.Lst");c(c$,"finalizeTrajectory",function(){if(0!=this.trajectoryStepCount){var a=this.trajectorySteps.get(0),b=null==this.vibrationSteps?null:this.vibrationSteps.get(0),d=null==this.bsAtoms?this.ac:this.bsAtoms.cardinality();if(null!=this.vibrationSteps&&null!=b&&b.lengththis.atomSetNumbers.length&&(this.atomSetAtomIndexes=JU.AU.doubleLengthI(this.atomSetAtomIndexes),this.atomSetAtomCounts=JU.AU.doubleLengthI(this.atomSetAtomCounts),this.atomSetBondCounts=JU.AU.doubleLengthI(this.atomSetBondCounts),this.atomSetAuxiliaryInfo=JU.AU.doubleLength(this.atomSetAuxiliaryInfo));this.atomSetAtomIndexes[this.iSet]= -this.ac;this.atomSetCount+this.trajectoryStepCount>this.atomSetNumbers.length&&(this.atomSetNumbers=JU.AU.doubleLengthI(this.atomSetNumbers));this.isTrajectory?this.atomSetNumbers[this.iSet+this.trajectoryStepCount]=this.atomSetCount+this.trajectoryStepCount:this.atomSetNumbers[this.iSet]=this.atomSetCount;a&&this.atomSymbolicMap.clear();this.setCurrentModelInfo("title",this.collectionName)},"~B");c(c$,"getAtomSetAtomIndex",function(a){0>a&&System.out.println("??");return this.atomSetAtomIndexes[a]}, +this.ac;this.atomSetCount+this.trajectoryStepCount>this.atomSetNumbers.length&&(this.atomSetNumbers=JU.AU.doubleLengthI(this.atomSetNumbers));this.isTrajectory?this.atomSetNumbers[this.iSet+this.trajectoryStepCount]=this.atomSetCount+this.trajectoryStepCount:this.atomSetNumbers[this.iSet]=this.atomSetCount;a&&(this.atomSymbolicMap.clear(),this.atomMapAnyCase=!1);this.setCurrentModelInfo("title",this.collectionName)},"~B");c(c$,"getAtomSetAtomIndex",function(a){0>a&&System.out.println("??");return this.atomSetAtomIndexes[a]}, "~N");c(c$,"getAtomSetAtomCount",function(a){return this.atomSetAtomCounts[a]},"~N");c(c$,"getAtomSetBondCount",function(a){return this.atomSetBondCounts[a]},"~N");c(c$,"setAtomSetName",function(a){if(null!=a)if(this.isTrajectory)this.setTrajectoryName(a);else{var b=0>this.iSet?null:this.getAtomSetName(this.iSet);this.setModelInfoForSet("name",a,this.iSet);null!=this.reader&&(0d&&(d=this.iSet);var e=this.getAtomSetAuxiliaryInfoValue(d,"atomProperties");null== -e&&this.setModelInfoForSet("atomProperties",e=new java.util.Hashtable,d);e.put(a,b)},"~S,~O,~N,~B");c(c$,"setAtomSetPartialCharges",function(a){if(!this.atomSetAuxiliaryInfo[this.iSet].containsKey(a))return!1;a=this.getAtomSetAuxiliaryInfoValue(this.iSet,a);for(var b=a.size();0<=--b;)this.atoms[b].partialCharge=a.get(b).floatValue();return!0},"~S");c(c$,"getAtomSetAuxiliaryInfoValue",function(a,b){return this.atomSetAuxiliaryInfo[0<=a?a:this.iSet].get(b)},"~N,~S");c(c$,"setCurrentModelInfo",function(a, +function(a,b){this.setAtomSetModelPropertyForSet(a,b,this.iSet)},"~S,~S");c(c$,"setAtomSetModelPropertyForSet",function(a,b,d){var f=this.getAtomSetAuxiliaryInfoValue(d,"modelProperties");null==f&&this.setModelInfoForSet("modelProperties",f=new java.util.Properties,d);f.put(a,b);a.startsWith(".")&&f.put(a.substring(1),b)},"~S,~S,~N");c(c$,"setAtomProperties",function(a,b,d){s(b,String)&&!b.endsWith("\n")&&(b+="\n");0>d&&(d=this.iSet);var f=this.getAtomSetAuxiliaryInfoValue(d,"atomProperties");null== +f&&this.setModelInfoForSet("atomProperties",f=new java.util.Hashtable,d);f.put(a,b)},"~S,~O,~N,~B");c(c$,"setAtomSetPartialCharges",function(a){if(!this.atomSetAuxiliaryInfo[this.iSet].containsKey(a))return!1;a=this.getAtomSetAuxiliaryInfoValue(this.iSet,a);for(var b=a.size();0<=--b;)this.atoms[b].partialCharge=a.get(b).floatValue();return!0},"~S");c(c$,"getAtomSetAuxiliaryInfoValue",function(a,b){return this.atomSetAuxiliaryInfo[0<=a?a:this.iSet].get(b)},"~N,~S");c(c$,"setCurrentModelInfo",function(a, b){this.setModelInfoForSet(a,b,this.iSet)},"~S,~O");c(c$,"setModelInfoForSet",function(a,b,d){0>d||(null==this.atomSetAuxiliaryInfo[d]&&(this.atomSetAuxiliaryInfo[d]=new java.util.Hashtable),null==b?this.atomSetAuxiliaryInfo[d].remove(a):this.atomSetAuxiliaryInfo[d].put(a,b))},"~S,~O,~N");c(c$,"getAtomSetNumber",function(a){return this.atomSetNumbers[a>=this.atomSetCount?0:a]},"~N");c(c$,"getAtomSetName",function(a){if(null!=this.trajectoryNames&&a=this.atomSetCount&&(a=this.atomSetCount-1);return this.getAtomSetAuxiliaryInfoValue(a,"name")},"~N");c(c$,"getAtomSetAuxiliaryInfo",function(a){a=a>=this.atomSetCount?this.atomSetCount-1:a;return 0>a?null:this.atomSetAuxiliaryInfo[a]},"~N");c(c$,"setAtomSetEnergy",function(a,b){0>this.iSet||(JU.Logger.info("Energy for model "+(this.iSet+1)+" = "+a),this.setCurrentModelInfo("EnergyString",a),this.setCurrentModelInfo("Energy",Float.$valueOf(b)),this.setAtomSetModelProperty("Energy",""+b))},"~S,~N"); -c(c$,"setAtomSetFrequency",function(a,b,d,e,c){this.setAtomSetModelProperty("FreqValue",e);e+=" "+(null==c?"cm^-1":c);c=(null==d?"":d+" ")+e;this.setAtomSetName(c);this.setAtomSetModelProperty("Frequency",e);this.setAtomSetModelProperty("Mode",""+a);this.setModelInfoForSet("vibrationalMode",Integer.$valueOf(a),this.iSet);null!=d&&this.setAtomSetModelProperty("FrequencyLabel",d);this.setAtomSetModelProperty(".PATH",(null==b?"":b+J.adapter.smarter.SmarterJmolAdapter.PATH_SEPARATOR+"Frequencies")+"Frequencies"); -return c},"~N,~S,~S,~S,~S");c(c$,"getBondList",function(){for(var a=Array(this.bondCount),b=0;b=e;)a.add(this.atoms[c]);a.scale(1/d);for(c=e+d;--c>=e;)this.atoms[c].sub(a)}}); +c(c$,"setAtomSetFrequency",function(a,b,d,f,c){this.setAtomSetModelProperty("FreqValue",f);f+=" "+(null==c?"cm^-1":c);c=(null==d?"":d+" ")+f;this.setAtomSetName(c);this.setAtomSetModelProperty("Frequency",f);this.setAtomSetModelProperty("Mode",""+a);this.setModelInfoForSet("vibrationalMode",Integer.$valueOf(a),this.iSet);null!=d&&this.setAtomSetModelProperty("FrequencyLabel",d);this.setAtomSetModelProperty(".PATH",(null==b?"":b+J.adapter.smarter.SmarterJmolAdapter.PATH_SEPARATOR+"Frequencies")+"Frequencies"); +return c},"~N,~S,~S,~S,~S");c(c$,"getBondList",function(){for(var a=Array(this.bondCount),b=0;b=f;)a.add(this.atoms[c]);a.scale(1/d);for(c=f+d;--c>=f;)this.atoms[c].sub(a)}}); c(c$,"mergeTrajectories",function(a){if(this.isTrajectory&&a.isTrajectory&&null==this.vibrationSteps){for(var b=0;b=this.lastModelNumber},"~N");c(c$,"appendLoadNote",function(a){null==a?this.loadNote=new JU.SB:(this.loadNote.append(a).append("\n"),JU.Logger.info(a))},"~S");c(c$,"initializeTrajectoryFile",function(){this.asc.addAtom(new J.adapter.smarter.Atom);this.trajectorySteps=this.htParams.get("trajectorySteps");null==this.trajectorySteps&&this.htParams.put("trajectorySteps",this.trajectorySteps=new JU.Lst)}); -c(c$,"finalizeSubclassReader",function(){});c(c$,"finalizeReaderASCR",function(){this.isFinalized=!0;if(0d&&(d=b.indexOf("metadata"));0<=d&&(b=b.substring(0,d));b=JU.PT.rep(JU.PT.replaceAllCharacters(b,"{}","").trim(),"\n","\n ")+"\n\nUse SHOW DOMAINS for details.";this.appendLoadNote("\nDomains loaded:\n "+b);for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b),a.put("domains",this.domains)}if(null!=this.validation)for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b), -a.put("validation",this.validation);if(null!=this.dssr){a.put("dssrJSON",Boolean.TRUE);for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b),a.put("dssr",this.dssr)}}}this.fixJavaFloat||this.asc.setInfo("legacyJavaFloat",Boolean.TRUE);this.setLoadNote()});c(c$,"setLoadNote",function(){var a=this.loadNote.toString();0this.asc.bsAtoms.nextSetBit(0))&&0>b.indexOf("DataOnly")&&null==this.asc.atomSetInfo.get("dataOnly"))return"No atoms found\nfor file "+this.filePath+"\ntype "+a;this.fixBaseIndices();return this.asc});c(c$,"setError",function(a){var b;b=a.getMessage?a.getMessage(): -a.toString();this.asc.errorMessage=null==this.line?"Error reading file at end of file \n"+b:"Error reading file at line "+this.ptLine+":\n"+this.line+"\n"+b;a.printStackTrace()},"Throwable");c(c$,"initialize",function(){this.htParams.containsKey("baseAtomIndex")&&(this.baseAtomIndex=this.htParams.get("baseAtomIndex").intValue());this.initializeSymmetry();this.vwr=this.htParams.remove("vwr");this.htParams.containsKey("stateScriptVersionInt")&&(this.stateScriptVersionInt=this.htParams.get("stateScriptVersionInt").intValue()); -var a=this.htParams.get("packingError");null!=a?this.packingError=a.floatValue():null!=this.htParams.get("legacyJavaFloat")&&(this.fixJavaFloat=!1);this.merging=this.htParams.containsKey("merging");this.getHeader=this.htParams.containsKey("getHeader");this.isSequential=this.htParams.containsKey("isSequential");this.readerName=this.htParams.get("readerName");this.htParams.containsKey("outputChannel")&&(this.out=this.htParams.get("outputChannel"));this.htParams.containsKey("vibrationNumber")?this.desiredVibrationNumber= -this.htParams.get("vibrationNumber").intValue():this.htParams.containsKey("modelNumber")&&(this.desiredModelNumber=this.htParams.get("modelNumber").intValue());this.applySymmetryToBonds=this.htParams.containsKey("applySymmetryToBonds");this.bsFilter=this.requiresBSFilter?this.htParams.get("bsFilter"):null;this.setFilter(null);this.fillRange=this.htParams.get("fillRange");null!=this.strSupercell&&!this.checkFilterKey("NOPACK")&&(this.forcePacked=!0);a=this.htParams.get("supercell");q(a,JU.P3)?(a=this.ptSupercell= -a,this.strSupercell=C(a.x)+"a,"+C(a.y)+"b,"+C(a.z)+"c"):q(a,String)&&(this.strSupercell=a);a=this.htParams.containsKey("ptFile")?this.htParams.get("ptFile").intValue():-1;this.isTrajectory=this.htParams.containsKey("isTrajectory");0this.firstLastStep[0]&&(this.firstLastStep[0]=0);if(0==this.firstLastStep[2]|| -this.firstLastStep[1]this.firstLastStep[2]&&(this.firstLastStep[2]=1);this.bsModels=JU.BSUtil.newAndSetBit(this.firstLastStep[0]);if(this.firstLastStep[1]>this.firstLastStep[0])for(a=this.firstLastStep[0];a<=this.firstLastStep[1];a+=this.firstLastStep[2])this.bsModels.set(a)}if(null!=this.bsModels&&(null==this.firstLastStep||-1!=this.firstLastStep[1]))this.lastModelNumber=this.bsModels.length();this.symmetryRange=this.htParams.containsKey("symmetryRange")? -this.htParams.get("symmetryRange").floatValue():0;this.initializeSymmetryOptions();this.htParams.containsKey("spaceGroupIndex")&&(this.desiredSpaceGroupIndex=this.htParams.get("spaceGroupIndex").intValue(),-2==this.desiredSpaceGroupIndex&&(this.sgName=this.htParams.get("spaceGroupName")),this.ignoreFileSpaceGroupName=-2==this.desiredSpaceGroupIndex||0<=this.desiredSpaceGroupIndex,this.ignoreFileSymmetryOperators=-1!=this.desiredSpaceGroupIndex);this.htParams.containsKey("unitCellOffset")&&(this.fileScaling= -JU.P3.new3(1,1,1),this.fileOffset=this.htParams.get("unitCellOffset"),this.fileOffsetFractional=JU.P3.newP(this.fileOffset),this.unitCellOffsetFractional=this.htParams.containsKey("unitCellOffsetFractional"));this.htParams.containsKey("unitcell")&&(a=this.htParams.get("unitcell"),this.merging&&this.setFractionalCoordinates(!0),9==a.length?(this.addExplicitLatticeVector(0,a,0),this.addExplicitLatticeVector(1,a,3),this.addExplicitLatticeVector(2,a,6)):this.setUnitCell(a[0],a[1],a[2],a[3],a[4],a[5]), -this.ignoreFileUnitCell=this.iHaveUnitCell,this.merging&&!this.iHaveUnitCell&&this.setFractionalCoordinates(!1));this.domains=this.htParams.get("domains");this.validation=this.htParams.get("validation");this.dssr=this.htParams.get("dssr");this.isConcatenated=this.htParams.containsKey("concatenate")});c(c$,"initializeSymmetryOptions",function(){this.latticeCells=B(4,0);this.doApplySymmetry=!1;var a=this.htParams.get("lattice");if(null==a||0==a.length()){if(!this.forcePacked&&null==this.strSupercell)return; -a=JU.P3.new3(1,1,1)}this.latticeCells[0]=C(a.x);this.latticeCells[1]=C(a.y);this.latticeCells[2]=C(a.z);q(a,JU.T4)&&(this.latticeCells[3]=C(a.w));if((this.doCentroidUnitCell=this.htParams.containsKey("centroid"))&&(-1==this.latticeCells[2]||0==this.latticeCells[2]))this.latticeCells[2]=1;a=this.forcePacked||this.htParams.containsKey("packed");this.centroidPacked=this.doCentroidUnitCell&&a;this.doPackUnitCell=!this.doCentroidUnitCell&&(a||0>this.latticeCells[2]);this.doApplySymmetry=0b.toUpperCase().indexOf(this.nameRequired))return!1;var d=null==this.bsModels?1>this.desiredModelNumber||a==this.desiredModelNumber:a>this.lastModelNumber?!1:0this.firstLastStep[1]&&(2>this.firstLastStep[2]||0==(a-1-this.firstLastStep[0])%this.firstLastStep[2]); -d&&0==this.desiredModelNumber&&this.discardPreviousAtoms();this.haveModel=(new Boolean(this.haveModel|d)).valueOf();d&&(this.doProcessLines=!0);return d},"~N,~S");c(c$,"discardPreviousAtoms",function(){this.asc.discardPreviousAtoms()});c(c$,"initializeSymmetry",function(){this.previousSpaceGroup=this.sgName;this.previousUnitCell=this.unitCellParams;this.iHaveUnitCell=this.ignoreFileUnitCell;if(!this.ignoreFileUnitCell){this.unitCellParams=K(26,0);for(var a=25;0<=--a;)this.unitCellParams[a]=NaN;this.unitCellParams[25]= -this.latticeScaling;this.symmetry=null}this.ignoreFileSpaceGroupName||(this.sgName="unspecified!");this.doCheckUnitCell=!1});c(c$,"newAtomSet",function(a){0<=this.asc.iSet?(this.asc.newAtomSet(),this.asc.setCollectionName("")):this.asc.setCollectionName(a);this.asc.setModelInfoForSet("name",a,Math.max(0,this.asc.iSet));this.asc.setAtomSetName(a)},"~S");c(c$,"cloneLastAtomSet",function(a,b){var d=this.asc.getLastAtomSetAtomCount();this.asc.cloneLastAtomSetFromPoints(a, -b);this.asc.haveUnitCell&&(this.doCheckUnitCell=this.iHaveUnitCell=!0,this.sgName=this.previousSpaceGroup,this.unitCellParams=this.previousUnitCell);return d},"~N,~A");c(c$,"setSpaceGroupName",function(a){this.ignoreFileSpaceGroupName||null==a||(a=a.trim(),a.equals(this.sgName)||(a.equals("P1")||JU.Logger.info("Setting space group name to "+a),this.sgName=a))},"~S");c(c$,"setSymmetryOperator",function(a){if(this.ignoreFileSymmetryOperators)return-1;var b=this.asc.getXSymmetry().addSpaceGroupOperation(a, -!0);0>b&&JU.Logger.warn("Skippings symmetry operation "+a);this.iHaveSymmetryOperators=!0;return b},"~S");c(c$,"initializeCartesianToFractional",function(){for(var a=0;16>a;a++)if(!Float.isNaN(this.unitCellParams[6+a]))return;for(a=0;16>a;a++)this.unitCellParams[6+a]=0==a%5?1:0;this.nMatrixElements=0});c(c$,"clearUnitCell",function(){if(!this.ignoreFileUnitCell){for(var a=6;22>a;a++)this.unitCellParams[a]=NaN;this.checkUnitCell(6)}});c(c$,"setUnitCellItem",function(a,b){if(!this.ignoreFileUnitCell&& -!(0==a&&1==b&&!this.checkFilterKey("TOPOS")||3==a&&0==b))!Float.isNaN(b)&&(6<=a&&Float.isNaN(this.unitCellParams[6]))&&this.initializeCartesianToFractional(),this.unitCellParams[a]=b,this.debugging&&JU.Logger.debug("setunitcellitem "+a+" "+b),6>a||Float.isNaN(b)?this.iHaveUnitCell=this.checkUnitCell(6):12==++this.nMatrixElements&&(this.iHaveUnitCell=this.checkUnitCell(22))},"~N,~N");c(c$,"setUnitCell",function(a,b,d,e,c,f){this.ignoreFileUnitCell||(this.clearUnitCell(),this.unitCellParams[0]=a,this.unitCellParams[1]= -b,this.unitCellParams[2]=d,0!=e&&(this.unitCellParams[3]=e),0!=c&&(this.unitCellParams[4]=c),0!=f&&(this.unitCellParams[5]=f),this.iHaveUnitCell=this.checkUnitCell(6))},"~N,~N,~N,~N,~N,~N");c(c$,"addExplicitLatticeVector",function(a,b,d){if(!this.ignoreFileUnitCell){if(0==a)for(var e=0;6>e;e++)this.unitCellParams[e]=0;a=6+3*a;this.unitCellParams[a++]=b[d++];this.unitCellParams[a++]=b[d++];this.unitCellParams[a]=b[d];if(Float.isNaN(this.unitCellParams[0]))for(a=0;6>a;a++)this.unitCellParams[a]=-1; -this.iHaveUnitCell=this.checkUnitCell(15)}},"~N,~A,~N");c(c$,"checkUnitCell",function(a){for(var b=0;bb?null:this.filter.substring(b+a.length,this.filter.indexOf(";",b))},"~S");c(c$,"checkFilterKey",function(a){return null!=this.filter&&0<=this.filter.indexOf(a)},"~S");c(c$,"filterAtom",function(a,b){if(!this.haveAtomFilter)return!0;var d=this.checkFilter(a,this.filter1);null!=this.filter2&&(d=(new Boolean(d|this.checkFilter(a, -this.filter2))).valueOf());d&&this.filterEveryNth&&(d=0==this.nFiltered++%this.filterN);this.bsFilter.setBitTo(0<=b?b:this.asc.ac,d);return d},"J.adapter.smarter.Atom,~N");c(c$,"checkFilter",function(a,b){return(!this.filterGroup3||null==a.group3||!this.filterReject(b,"[",a.group3.toUpperCase()+"]"))&&(!this.filterAtomName||this.allowAtomName(a.atomName,b))&&(null==this.filterAtomTypeStr||null==a.atomName||0<=a.atomName.toUpperCase().indexOf("\x00"+this.filterAtomTypeStr))&&(!this.filterElement|| -null==a.elementSymbol||!this.filterReject(b,"_",a.elementSymbol.toUpperCase()+";"))&&(!this.filterChain||0==a.chainID||!this.filterReject(b,":",""+this.vwr.getChainIDStr(a.chainID)))&&(!this.filterAltLoc||"\x00"==a.altLoc||!this.filterReject(b,"%",""+a.altLoc))&&(!this.filterHetero||!this.allowPDBFilter||!this.filterReject(b,"HETATM",a.isHetero?"-Y":"-N"))},"J.adapter.smarter.Atom,~S");c(c$,"rejectAtomName",function(a){return this.filterAtomName&&!this.allowAtomName(a,this.filter)},"~S");c(c$,"allowAtomName", -function(a,b){return null==a||!this.filterReject(b,".",a.toUpperCase()+this.filterAtomNameTerminator)},"~S,~S");c(c$,"filterReject",function(a,b,d){return 0<=a.indexOf(b)&&0<=a.indexOf("!"+b)==0<=a.indexOf(b+d)},"~S,~S,~S");c(c$,"set2D",function(){this.asc.setInfo("is2D",Boolean.TRUE);this.checkFilterKey("NOMIN")||this.asc.setInfo("doMinimize",Boolean.TRUE)});c(c$,"doGetVibration",function(a){return this.addVibrations&&(0>=this.desiredVibrationNumber||a==this.desiredVibrationNumber)},"~N");c(c$,"setTransform", -function(a,b,d,e,c,f,j,k,l){null==this.matRot&&this.doSetOrientation&&(this.matRot=new JU.M3,a=JU.V3.new3(a,b,d),a.normalize(),this.matRot.setColumnV(0,a),a.set(e,c,f),a.normalize(),this.matRot.setColumnV(1,a),a.set(j,k,l),a.normalize(),this.matRot.setColumnV(2,a),this.asc.setInfo("defaultOrientationMatrix",JU.M3.newM3(this.matRot)),e=JU.Quat.newM(this.matRot),this.asc.setInfo("defaultOrientationQuaternion",e),JU.Logger.info("defaultOrientationMatrix = "+this.matRot))},"~N,~N,~N,~N,~N,~N,~N,~N,~N"); -c(c$,"setAtomCoordXYZ",function(a,b,d,e){a.set(b,d,e);this.setAtomCoord(a)},"J.adapter.smarter.Atom,~N,~N,~N");c(c$,"setAtomCoordScaled",function(a,b,d,e){null==a&&(a=this.asc.addNewAtom());this.setAtomCoordXYZ(a,this.parseFloatStr(b[d])*e,this.parseFloatStr(b[d+1])*e,this.parseFloatStr(b[d+2])*e);return a},"J.adapter.smarter.Atom,~A,~N,~N");c(c$,"setAtomCoordTokens",function(a,b,d){this.setAtomCoordXYZ(a,this.parseFloatStr(b[d]),this.parseFloatStr(b[d+1]),this.parseFloatStr(b[d+2]))},"J.adapter.smarter.Atom,~A,~N"); -c(c$,"addAtomXYZSymName",function(a,b,d,e){var c=this.asc.addNewAtom();null!=d&&(c.elementSymbol=d);null!=e&&(c.atomName=e);this.setAtomCoordTokens(c,a,b);return c},"~A,~N,~S,~S");c(c$,"setAtomCoord",function(a){var b=this.doConvertToFractional&&!this.fileCoordinatesAreFractional&&null!=this.getSymmetry();null!=this.fileScaling&&(a.x=a.x*this.fileScaling.x+this.fileOffset.x,a.y=a.y*this.fileScaling.y+this.fileOffset.y,a.z=a.z*this.fileScaling.z+this.fileOffset.z);b&&(this.symmetry.haveUnitCell()|| -this.symmetry.setUnitCell(this.unitCellParams,!1),this.symmetry.toFractional(a,!1),this.iHaveFractionalCoordinates=!0);this.fixJavaFloat&&this.fileCoordinatesAreFractional&&JU.PT.fixPtFloats(a,1E5);this.doCheckUnitCell=!0},"J.adapter.smarter.Atom");c(c$,"addSites",function(a){this.asc.setCurrentModelInfo("pdbSites",a);var b="",d;for(a=a.entrySet().iterator();a.hasNext()&&((d=a.next())||1);){for(var e=d.getKey(),c=d.getValue(),f,j=e.length;0<=--j;)if(!JU.PT.isLetterOrDigit(f=e.charAt(j))&&"'"!=f)e= -e.substring(0,j)+"_"+e.substring(j+1);c=c.get("groups");0!=c.length&&(this.addSiteScript("@site_"+e+" "+c),this.addSiteScript("site_"+e+' = ["'+JU.PT.rep(c,",",'","')+'"]'),b+=',"site_'+e+'"')}0=this.lastModelNumber},"~N");c(c$,"appendLoadNote",function(a){null==a?this.loadNote=new JU.SB:(this.loadNote.append(a).append("\n"),JU.Logger.info(a))}, +"~S");c(c$,"initializeTrajectoryFile",function(){this.asc.addAtom(new J.adapter.smarter.Atom);this.trajectorySteps=this.htParams.get("trajectorySteps");null==this.trajectorySteps&&this.htParams.put("trajectorySteps",this.trajectorySteps=new JU.Lst)});c(c$,"finalizeSubclassReader",function(){});c(c$,"finalizeReaderASCR",function(){this.isFinalized=!0;if(0d&&(d=b.indexOf("metadata"));0<=d&&(b=b.substring(0,d));b=JU.PT.rep(JU.PT.replaceAllCharacters(b, +"{}","").trim(),"\n","\n ")+"\n\nUse SHOW DOMAINS for details.";this.appendLoadNote("\nDomains loaded:\n "+b);for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b),a.put("domains",this.domains)}if(null!=this.validation)for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b),a.put("validation",this.validation);if(null!=this.dssr){a.put("dssrJSON",Boolean.TRUE);for(b=this.asc.atomSetCount;0<=--b;)a=this.asc.getAtomSetAuxiliaryInfo(b),a.put("dssr",this.dssr)}}}this.fixJavaFloat|| +this.asc.setInfo("legacyJavaFloat",Boolean.TRUE);this.setLoadNote()});c(c$,"setLoadNote",function(){var a=this.loadNote.toString();0this.asc.bsAtoms.nextSetBit(0))&&0>b.indexOf("DataOnly")&&null==this.asc.atomSetInfo.get("dataOnly"))return"No atoms found\nfor file "+this.filePath+"\ntype "+a;this.fixBaseIndices();return this.asc});c(c$,"setError",function(a){var b=a.getMessage();this.asc.errorMessage=null==this.line?"Error reading file at end of file \n"+b:"Error reading file at line "+this.ptLine+":\n"+this.line+"\n"+b;a.printStackTrace()},"Throwable");c(c$,"initialize",function(){this.htParams.containsKey("baseAtomIndex")&& +(this.baseAtomIndex=this.htParams.get("baseAtomIndex").intValue());this.htParams.containsKey("baseBondIndex")&&(this.baseBondIndex=this.htParams.get("baseBondIndex").intValue());this.initializeSymmetry();this.vwr=this.htParams.remove("vwr");this.htParams.containsKey("stateScriptVersionInt")&&(this.stateScriptVersionInt=this.htParams.get("stateScriptVersionInt").intValue());var a=this.htParams.get("packingError");null!=a?this.packingError=a.floatValue():null!=this.htParams.get("legacyJavaFloat")&& +(this.fixJavaFloat=!1);this.merging=this.htParams.containsKey("merging");this.getHeader=this.htParams.containsKey("getHeader");this.isSequential=this.htParams.containsKey("isSequential");this.readerName=this.htParams.get("readerName");this.htParams.containsKey("outputChannel")&&(this.out=this.htParams.get("outputChannel"));this.htParams.containsKey("vibrationNumber")?this.desiredVibrationNumber=this.htParams.get("vibrationNumber").intValue():this.htParams.containsKey("modelNumber")&&(this.desiredModelNumber= +this.htParams.get("modelNumber").intValue());this.applySymmetryToBonds=this.htParams.containsKey("applySymmetryToBonds");this.bsFilter=this.requiresBSFilter?this.htParams.get("bsFilter"):null;this.setFilter(null);this.fillRange=this.htParams.get("fillRange");null!=this.strSupercell&&!this.checkFilterKey("NOPACK")&&(this.forcePacked=!0);a=this.htParams.get("supercell");s(a,JU.P3)?(a=this.ptSupercell=a,this.strSupercell=C(a.x)+"a,"+C(a.y)+"b,"+C(a.z)+"c"):s(a,String)&&(this.strSupercell=a);a=this.htParams.containsKey("ptFile")? +this.htParams.get("ptFile").intValue():-1;this.isTrajectory=this.htParams.containsKey("isTrajectory");0this.firstLastStep[0]&&(this.firstLastStep[0]=0);if(0==this.firstLastStep[2]||this.firstLastStep[1]this.firstLastStep[2]&&(this.firstLastStep[2]=1); +this.bsModels=JU.BSUtil.newAndSetBit(this.firstLastStep[0]);if(this.firstLastStep[1]>this.firstLastStep[0])for(a=this.firstLastStep[0];a<=this.firstLastStep[1];a+=this.firstLastStep[2])this.bsModels.set(a)}if(null!=this.bsModels&&(null==this.firstLastStep||-1!=this.firstLastStep[1]))this.lastModelNumber=this.bsModels.length();this.symmetryRange=this.htParams.containsKey("symmetryRange")?this.htParams.get("symmetryRange").floatValue():0;this.paramsLattice=this.htParams.get("lattice");this.paramsCentroid= +this.htParams.containsKey("centroid");this.paramsPacked=this.htParams.containsKey("packed");this.initializeSymmetryOptions();this.htParams.containsKey("spaceGroupIndex")&&(this.desiredSpaceGroupIndex=this.htParams.get("spaceGroupIndex").intValue(),-2==this.desiredSpaceGroupIndex&&(this.sgName=this.htParams.get("spaceGroupName")),this.ignoreFileSpaceGroupName=-2==this.desiredSpaceGroupIndex||0<=this.desiredSpaceGroupIndex,this.ignoreFileSymmetryOperators=-1!=this.desiredSpaceGroupIndex);this.htParams.containsKey("unitCellOffset")&& +(this.fileScaling=JU.P3.new3(1,1,1),this.fileOffset=this.htParams.get("unitCellOffset"),this.fileOffsetFractional=JU.P3.newP(this.fileOffset),this.unitCellOffsetFractional=this.htParams.containsKey("unitCellOffsetFractional"));this.htParams.containsKey("unitcell")&&(a=this.htParams.get("unitcell"),this.merging&&this.setFractionalCoordinates(!0),9==a.length?(this.addExplicitLatticeVector(0,a,0),this.addExplicitLatticeVector(1,a,3),this.addExplicitLatticeVector(2,a,6)):this.setUnitCell(a[0],a[1],a[2], +a[3],a[4],a[5]),this.ignoreFileUnitCell=this.iHaveUnitCell,this.merging&&!this.iHaveUnitCell&&this.setFractionalCoordinates(!1));this.domains=this.htParams.get("domains");this.validation=this.htParams.get("validation");this.dssr=this.htParams.get("dssr");this.isConcatenated=this.htParams.containsKey("concatenate")});c(c$,"initializeSymmetryOptions",function(){this.latticeCells=A(4,0);this.doApplySymmetry=!1;var a=this.paramsLattice;if(null==a||0==a.length()){if(!this.forcePacked&&null==this.strSupercell)return; +a=JU.P3.new3(1,1,1)}this.latticeCells[0]=C(a.x);this.latticeCells[1]=C(a.y);this.latticeCells[2]=C(a.z);s(a,JU.T4)&&(this.latticeCells[3]=C(a.w));if((this.doCentroidUnitCell=this.paramsCentroid)&&(-1==this.latticeCells[2]||0==this.latticeCells[2]))this.latticeCells[2]=1;a=this.forcePacked||this.paramsPacked;this.centroidPacked=this.doCentroidUnitCell&&a;this.doPackUnitCell=!this.doCentroidUnitCell&&(a||0>this.latticeCells[2]);this.doApplySymmetry=0b.toUpperCase().indexOf(this.nameRequired))return!1;var d=null==this.bsModels?1>this.desiredModelNumber||a==this.desiredModelNumber:a>this.lastModelNumber?!1:0this.firstLastStep[1]&&(2>this.firstLastStep[2]||0==(a-1-this.firstLastStep[0])%this.firstLastStep[2]);d&&0==this.desiredModelNumber&&this.discardPreviousAtoms(); +this.haveModel=(new Boolean(this.haveModel|d)).valueOf();d&&(this.doProcessLines=!0);return d},"~N,~S");c(c$,"discardPreviousAtoms",function(){this.asc.discardPreviousAtoms()});c(c$,"initializeSymmetry",function(){this.previousSpaceGroup=this.sgName;this.previousUnitCell=this.unitCellParams;this.iHaveUnitCell=this.ignoreFileUnitCell;if(!this.ignoreFileUnitCell){this.unitCellParams=K(26,0);for(var a=25;0<=--a;)this.unitCellParams[a]=NaN;this.unitCellParams[25]=this.latticeScaling;this.symmetry=null}this.ignoreFileSpaceGroupName|| +(this.sgName="unspecified!");this.doCheckUnitCell=!1});c(c$,"newAtomSet",function(a){0<=this.asc.iSet?(this.asc.newAtomSet(),this.asc.setCollectionName("")):this.asc.setCollectionName(a);this.asc.setModelInfoForSet("name",a,Math.max(0,this.asc.iSet));this.asc.setAtomSetName(a)},"~S");c(c$,"cloneLastAtomSet",function(a,b){var d=this.asc.getLastAtomSetAtomCount();this.asc.cloneLastAtomSetFromPoints(a,b);this.asc.haveUnitCell&&(this.doCheckUnitCell=this.iHaveUnitCell= +!0,this.sgName=this.previousSpaceGroup,this.unitCellParams=this.previousUnitCell);return d},"~N,~A");c(c$,"setSpaceGroupName",function(a){this.ignoreFileSpaceGroupName||null==a||(a=a.trim(),0==a.length||(a.equals("HM:")||a.equals(this.sgName))||(a.equals("P1")||JU.Logger.info("Setting space group name to "+a),this.sgName=a))},"~S");c(c$,"setSymmetryOperator",function(a){if(this.ignoreFileSymmetryOperators)return-1;var b=this.asc.getXSymmetry().addSpaceGroupOperation(a,!0);0>b&&JU.Logger.warn("Skippings symmetry operation "+ +a);this.iHaveSymmetryOperators=!0;return b},"~S");c(c$,"initializeCartesianToFractional",function(){for(var a=0;16>a;a++)if(!Float.isNaN(this.unitCellParams[6+a]))return;for(a=0;16>a;a++)this.unitCellParams[6+a]=0==a%5?1:0;this.nMatrixElements=0});c(c$,"clearUnitCell",function(){if(!this.ignoreFileUnitCell){for(var a=6;22>a;a++)this.unitCellParams[a]=NaN;this.checkUnitCell(6)}});c(c$,"setUnitCellItem",function(a,b){this.ignoreFileUnitCell||(0==a&&1==b&&!this.allow_a_len_1||3==a&&0==b?(null==this.ucItems&& +(this.ucItems=K(6,0)),this.ucItems[a]=b):(null!=this.ucItems&&6>a&&(this.ucItems[a]=b),!Float.isNaN(b)&&(6<=a&&Float.isNaN(this.unitCellParams[6]))&&this.initializeCartesianToFractional(),this.unitCellParams[a]=b,this.debugging&&JU.Logger.debug("setunitcellitem "+a+" "+b),6>a||Float.isNaN(b)?this.iHaveUnitCell=this.checkUnitCell(6):12==++this.nMatrixElements&&(this.iHaveUnitCell=this.checkUnitCell(22))))},"~N,~N");c(c$,"setUnitCell",function(a,b,d,f,c,e){this.ignoreFileUnitCell||(this.clearUnitCell(), +this.unitCellParams[0]=a,this.unitCellParams[1]=b,this.unitCellParams[2]=d,0!=f&&(this.unitCellParams[3]=f),0!=c&&(this.unitCellParams[4]=c),0!=e&&(this.unitCellParams[5]=e),this.iHaveUnitCell=this.checkUnitCell(6))},"~N,~N,~N,~N,~N,~N");c(c$,"addExplicitLatticeVector",function(a,b,d){if(!this.ignoreFileUnitCell){if(0==a)for(var f=0;6>f;f++)this.unitCellParams[f]=0;a=6+3*a;this.unitCellParams[a++]=b[d++];this.unitCellParams[a++]=b[d++];this.unitCellParams[a]=b[d];if(Float.isNaN(this.unitCellParams[0]))for(a= +0;6>a;a++)this.unitCellParams[a]=-1;this.iHaveUnitCell=this.checkUnitCell(15)}},"~N,~A,~N");c(c$,"checkUnitCell",function(a){for(var b=0;bb?null:this.filter.substring(b+a.length,this.filter.indexOf(";", +b))},"~S");c(c$,"checkFilterKey",function(a){return null!=this.filter&&0<=this.filter.indexOf(a)},"~S");c(c$,"checkAndRemoveFilterKey",function(a){if(!this.checkFilterKey(a))return!1;this.filter=JU.PT.rep(this.filter,a,"");3>this.filter.length&&(this.filter=null);return!0},"~S");c(c$,"filterAtom",function(a,b){if(!this.haveAtomFilter)return!0;var d=this.checkFilter(a,this.filter1);null!=this.filter2&&(d=(new Boolean(d|this.checkFilter(a,this.filter2))).valueOf());d&&this.filterEveryNth&&(d=0==this.nFiltered++% +this.filterN);this.bsFilter.setBitTo(0<=b?b:this.asc.ac,d);return d},"J.adapter.smarter.Atom,~N");c(c$,"checkFilter",function(a,b){return(!this.filterGroup3||null==a.group3||!this.filterReject(b,"[",a.group3.toUpperCase()+"]"))&&(!this.filterAtomName||this.allowAtomName(a.atomName,b))&&(null==this.filterAtomTypeStr||null==a.atomName||0<=a.atomName.toUpperCase().indexOf("\x00"+this.filterAtomTypeStr))&&(!this.filterElement||null==a.elementSymbol||!this.filterReject(b,"_",a.elementSymbol.toUpperCase()+ +";"))&&(!this.filterChain||0==a.chainID||!this.filterReject(b,":",""+this.vwr.getChainIDStr(a.chainID)))&&(!this.filterAltLoc||"\x00"==a.altLoc||!this.filterReject(b,"%",""+a.altLoc))&&(!this.filterHetero||!this.allowPDBFilter||!this.filterReject(b,"HETATM",a.isHetero?"-Y":"-N"))},"J.adapter.smarter.Atom,~S");c(c$,"rejectAtomName",function(a){return this.filterAtomName&&!this.allowAtomName(a,this.filter)},"~S");c(c$,"allowAtomName",function(a,b){return null==a||!this.filterReject(b,".",a.toUpperCase()+ +this.filterAtomNameTerminator)},"~S,~S");c(c$,"filterReject",function(a,b,d){return 0<=a.indexOf(b)&&0<=a.indexOf("!"+b)==0<=a.indexOf(b+d)},"~S,~S,~S");c(c$,"set2D",function(){this.asc.setInfo("is2D",Boolean.TRUE);this.checkFilterKey("NOMIN")||this.asc.setInfo("doMinimize",Boolean.TRUE);this.appendLoadNote("This model is 2D. Its 3D structure will be generated.")});c(c$,"doGetVibration",function(a){return this.addVibrations&&(0>=this.desiredVibrationNumber||a==this.desiredVibrationNumber)},"~N"); +c(c$,"setTransform",function(a,b,d,f,c,e,j,k,l){null==this.matRot&&this.doSetOrientation&&(this.matRot=new JU.M3,a=JU.V3.new3(a,b,d),a.normalize(),this.matRot.setColumnV(0,a),a.set(f,c,e),a.normalize(),this.matRot.setColumnV(1,a),a.set(j,k,l),a.normalize(),this.matRot.setColumnV(2,a),this.asc.setInfo("defaultOrientationMatrix",JU.M3.newM3(this.matRot)),f=JU.Quat.newM(this.matRot),this.asc.setInfo("defaultOrientationQuaternion",f),JU.Logger.info("defaultOrientationMatrix = "+this.matRot))},"~N,~N,~N,~N,~N,~N,~N,~N,~N"); +c(c$,"setAtomCoordXYZ",function(a,b,d,f){a.set(b,d,f);this.setAtomCoord(a)},"J.adapter.smarter.Atom,~N,~N,~N");c(c$,"setAtomCoordScaled",function(a,b,d,f){null==a&&(a=this.asc.addNewAtom());this.setAtomCoordXYZ(a,this.parseFloatStr(b[d])*f,this.parseFloatStr(b[d+1])*f,this.parseFloatStr(b[d+2])*f);return a},"J.adapter.smarter.Atom,~A,~N,~N");c(c$,"setAtomCoordTokens",function(a,b,d){this.setAtomCoordXYZ(a,this.parseFloatStr(b[d]),this.parseFloatStr(b[d+1]),this.parseFloatStr(b[d+2]))},"J.adapter.smarter.Atom,~A,~N"); +c(c$,"addAtomXYZSymName",function(a,b,d,f){var c=this.asc.addNewAtom();null!=d&&(c.elementSymbol=d);null!=f&&(c.atomName=f);this.setAtomCoordTokens(c,a,b);return c},"~A,~N,~S,~S");c(c$,"setAtomCoord",function(a){var b=this.doConvertToFractional&&!this.fileCoordinatesAreFractional&&null!=this.getSymmetry();null!=this.fileScaling&&(a.x=a.x*this.fileScaling.x+this.fileOffset.x,a.y=a.y*this.fileScaling.y+this.fileOffset.y,a.z=a.z*this.fileScaling.z+this.fileOffset.z);b&&(this.symmetry.haveUnitCell()|| +this.symmetry.setUnitCell(this.unitCellParams,!1),this.symmetry.toFractional(a,!1),this.iHaveFractionalCoordinates=!0);this.fixJavaFloat&&this.fileCoordinatesAreFractional&&JU.PT.fixPtFloats(a,1E5);this.doCheckUnitCell=!0},"J.adapter.smarter.Atom");c(c$,"addSites",function(a){this.asc.setCurrentModelInfo("pdbSites",a);var b="",d;for(a=a.entrySet().iterator();a.hasNext()&&((d=a.next())||1);){for(var f=d.getKey(),c=d.getValue(),e,j=f.length;0<=--j;)if(!JU.PT.isLetterOrDigit(e=f.charAt(j))&&"'"!=e)f= +f.substring(0,j)+"_"+f.substring(j+1);c=c.get("groups");0!=c.length&&(this.addSiteScript("@site_"+f+" "+c),this.addSiteScript("site_"+f+' = ["'+JU.PT.rep(c,",",'","')+'"]'),b+=',"site_'+f+'"')}0f;f++){if(e||b>=a.length){for(;3>(a=JU.PT.getTokens(this.rd())).length;);b=0>c?a.length+c:c}for(var j= -0;3>j;j++)d[f][j]=Double.$valueOf(a[b++]).doubleValue()}return d},"~A,~N");c(c$,"fillFloatArray",function(a,b,d){for(var e=[],c=0,f=0;f=e.length;){null==a&&(a=this.rd());if(0==b)e=JU.PT.getTokens(a);else{e=Array(w(a.length/b));for(c=0;ct||(t+=a+d*N++,this.debugging&& -JU.Logger.debug("atom "+t+" vib"+N+": "+r+" "+q+" "+s),this.asc.addVibrationVectorWithSymmetry(t,r,q,s,m))}}}},"~N,~N,~N,~A,~B,~N,~N,~A,~N,~A");c(c$,"fillDataBlockFixed",function(a,b,d,e){if(0==d)this.fillDataBlock(a,e);else for(var c=a.length,f=0;fe&&" "==this.line.charAt(-e)){a[0]=null;break}var j=w((this.line.length-b+1)/d);a[f]=Array(j);for(var k=0,l=b;ke;e++){if(f||b>=a.length){for(;3>(a=JU.PT.getTokens(this.rd())).length;);b=0>c?a.length+c:c}for(var j= +0;3>j;j++)d[e][j]=Double.$valueOf(a[b++]).doubleValue()}return d},"~A,~N");c(c$,"fillFloatArray",function(a,b,d){for(var f=[],c=0,e=0;e=f.length;){null==a&&(a=this.rd());if(0==b)f=JU.PT.getTokens(a);else{f=Array(w(a.length/b));for(c=0;cp||(p+=a+d*I++,this.debugging&& +JU.Logger.debug("atom "+p+" vib"+I+": "+m+" "+s+" "+t),this.asc.addVibrationVectorWithSymmetry(p,m,s,t,n))}}}},"~N,~N,~N,~A,~B,~N,~N,~A,~N,~A");c(c$,"fillDataBlockFixed",function(a,b,d,f){if(0==d)this.fillDataBlock(a,f);else for(var c=a.length,e=0;ef&&" "==this.line.charAt(-f)){a[0]=null;break}var j=w((this.line.length-b+1)/d);a[e]=Array(j);for(var k=0,l=b;kthis.line.indexOf(a););return this.line},"~S");c(c$,"discardLinesUntilContains2",function(a,b){for(;null!=this.rd()&&0>this.line.indexOf(a)&&0>this.line.indexOf(b););return this.line},"~S,~S");c(c$,"discardLinesUntilBlank",function(){for(;null!= this.rd()&&0!=this.line.trim().length;);return this.line});c(c$,"discardLinesUntilNonBlank",function(){for(;null!=this.rd()&&0==this.line.trim().length;);return this.line});c(c$,"checkLineForScript",function(a){this.line=a;this.checkCurrentLineForScript()},"~S");c(c$,"checkCurrentLineForScript",function(){this.line.endsWith("#noautobond")&&(this.line=this.line.substring(0,this.line.lastIndexOf("#")).trim(),this.asc.setNoAutoBond());var a=this.line.indexOf("jmolscript:");if(0<=a){var b=this.line.substring(a+ 11,this.line.length);0<=b.indexOf("#")&&(b=b.substring(0,b.indexOf("#")));this.addJmolScript(b);this.line=this.line.substring(0,a).trim()}});c(c$,"addJmolScript",function(a){JU.Logger.info("#jmolScript: "+a);null==this.previousScript?this.previousScript="":this.previousScript.endsWith(";")||(this.previousScript+=";");this.previousScript+=a;this.asc.setInfo("jmolscript",this.previousScript)},"~S");c(c$,"addSiteScript",function(a){null==this.siteScript?this.siteScript="":this.siteScript.endsWith(";")|| -(this.siteScript+=";");this.siteScript+=a;this.asc.setInfo("sitescript",this.siteScript)},"~S");c(c$,"rd",function(){return this.RL()});c(c$,"RL",function(){this.prevline=this.line;this.line=this.reader.readLine();null!=this.out&&null!=this.line&&this.out.append(this.line).append("\n");this.ptLine++;this.debugging&&null!=this.line&&JU.Logger.debug(this.line);return this.line});c$.getStrings=c(c$,"getStrings",function(a,b,d){for(var e=Array(b),c=0,f=0;ce;e++){if(0f;f++){if(0f?null:b.substring(f+8,(b+";").indexOf(";",f)).$replace("="," ").trim());null!=b?(f=J.adapter.smarter.Resolver.getReaderFromType(b),null==f&&(f=J.adapter.smarter.Resolver.getReaderFromType("Xml"+b)),null==f?j="unrecognized file format type "+b:JU.Logger.info("The Resolver assumes "+f)):(f=J.adapter.smarter.Resolver.determineAtomSetCollectionReader(d,!0),"\n"==f.charAt(0)&&(b= -e.get("defaultType"),null!=b&&(b=J.adapter.smarter.Resolver.getReaderFromType(b),null!=b&&(f=b))),"\n"==f.charAt(0)?j="unrecognized file format for file\n"+a+"\n"+J.adapter.smarter.Resolver.split(f,50):f.equals("spt")?j="NOTE: file recognized as a script file: "+a+"\n":a.equals("ligand")||JU.Logger.info("The Resolver thinks "+f));if(null!=j)return J.adapter.smarter.SmarterJmolAdapter.close(d),j;e.put("ptFile",Integer.$valueOf(c));0>=c&&e.put("readerName",f);0==f.indexOf("Xml")&&(f="Xml");return J.adapter.smarter.Resolver.getReader(f, -e)},"~S,~S,~O,java.util.Map,~N");c$.getReader=c(c$,"getReader",function(a,b){var d=null,e=null,d=null,e=J.adapter.smarter.Resolver.getReaderClassBase(a);if(null==(d=J.api.Interface.getInterface(e,b.get("vwr"),"reader")))d=JV.JC.READER_NOT_FOUND+e,JU.Logger.error(d);return d},"~S,java.util.Map");c$.getReaderFromType=c(c$,"getReaderFromType",function(a){a=";"+a.toLowerCase()+";";if(0<=";zmatrix;cfi;c;vfi;v;mnd;jag;adf;gms;g;gau;mp;nw;orc;pqs;qc;".indexOf(a))return"Input";for(var b,d,e=J.adapter.smarter.Resolver.readerSets.length;0<= ---e;)if(0<=(d=(b=J.adapter.smarter.Resolver.readerSets[e--]).toLowerCase().indexOf(a)))return b.substring(d+1,b.indexOf(";",d+2));return null},"~S");c$.split=c(c$,"split",function(a,b){for(var d="",e=a.length,c=0,f=0;cb?0=b;b++){var d=new java.util.StringTokenizer(a[b]),e=d.countTokens();if(!(4==e||2==b&&5==e)||!J.adapter.smarter.Resolver.isInt(d.nextToken()))return!1;for(var c=3;0<=--c;)if(!J.adapter.smarter.Resolver.isFloat(d.nextToken()))return!1;if(5==e&&!J.adapter.smarter.Resolver.isInt(d.nextToken()))return!1}return!0},"~A");c$.checkFoldingXyz=c(c$,"checkFoldingXyz",function(a){var b= -new java.util.StringTokenizer(a[0].trim()," \t");if(2>b.countTokens()||!J.adapter.smarter.Resolver.isInt(b.nextToken().trim()))return!1;b=a[1].trim();0==b.length&&(b=a[2].trim());b=new java.util.StringTokenizer(b," \t");return 0b.length||0<=b.indexOf("."))return 0;if(b.endsWith("V2000"))return 2E3;if(b.endsWith("V3000"))return 3E3;var b=JU.PT.parseInt(a[3].substring(0,3).trim()),d=JU.PT.parseInt(a[3].substring(3,6).trim());return 0")&&0!=a[1].indexOf("@")&&0!=a[2].indexOf("@")?3:0},"~A"); -c$.checkMopacGraphf=c(c$,"checkMopacGraphf",function(a){return 2=a.length||" "!=a[b].charAt(0)||(b+=2)+1>=a.length)return!1;var d=a[b];if(3>d.length)return!1;var e=JU.PT.parseInt(d.substring(2).trim()),c=JU.PT.parseInt(d.substring(0,2).trim());if(2>(d=a[b+1]).length)return!1;a=JU.PT.parseInt(d.substring(0,2).trim());if(0>e||5= -a||-2147483648==c||5a.indexOf(d[e])))return b=d[0],!b.equals("Xml")?b:0<=a.indexOf("/AFLOWDATA/")||0<=a.indexOf("-- Structure PRE --")?"AFLOW":0>a.indexOf("a.indexOf("XHTML")&&(0>a.indexOf("xhtml")||0<=a.indexOf("")?"XmlCml":0<=a.indexOf("XSD")?"XmlXsd":0<=a.indexOf(">vasp")?"XmlVasp":0<=a.indexOf("")?"XmlQE":"XmlCml(unidentified)"},"~S");c$.checkSpecial2=c(c$,"checkSpecial2",function(a){if(J.adapter.smarter.Resolver.checkGromacs(a))return"Gromacs";if(J.adapter.smarter.Resolver.checkCrystal(a))return"Crystal";if(J.adapter.smarter.Resolver.checkFAH(a))return"FAH";a=J.adapter.smarter.Resolver.checkCastepVaspSiesta(a); -return 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J.bspt.Leaf(this,null,0);this.treeDepth=1});c(c$,"addTuple",function(a){this.eleRoot=this.eleRoot.addTuple(0, -a)},"JU.T3");c(c$,"stats",function(){});c(c$,"allocateCubeIterator",function(){return new J.bspt.CubeIterator(this)});F(c$,"leafCountMax",2,"MAX_TREE_DEPTH",100)});r("J.bspt");x(null,"J.bspt.CubeIterator",["J.bspt.Node"],function(){c$=v(function(){this.stack=this.bspt=null;this.leafIndex=this.sp=0;this.leaf=null;this.dz=this.dy=this.dx=this.cz=this.cy=this.cx=this.radius=0;this.tHemisphere=!1;s(this,arguments)},J.bspt,"CubeIterator");t(c$,function(a){this.set(a)},"J.bspt.Bspt");c(c$,"set",function(a){this.bspt= -a;this.stack=Array(a.treeDepth)},"J.bspt.Bspt");c(c$,"initialize",function(a,b,d){this.radius=b;this.tHemisphere=!1;this.cx=a.x;this.cy=a.y;this.cz=a.z;this.leaf=null;this.stack.length=a.minLeft)d>=a.minRight&& -b<=a.maxRight&&(this.stack[this.sp++]=a.eleRight),a=a.eleLeft;else if(d>=a.minRight&&b<=a.maxRight)a=a.eleRight;else{if(0==this.sp)return;a=this.stack[--this.sp]}}this.leaf=a;this.leafIndex=0}});c(c$,"isWithinRadius",function(a){this.dx=a.x-this.cx;return(!this.tHemisphere||0<=this.dx)&&(this.dx=Math.abs(this.dx))<=this.radius&&(this.dy=Math.abs(a.y-this.cy))<=this.radius&&(this.dz=Math.abs(a.z-this.cz))<=this.radius},"JU.T3")});r("J.bspt");c$=v(function(){this.bspt=null;this.count=0;s(this,arguments)}, -J.bspt,"Element");r("J.bspt");x(["J.bspt.Element"],"J.bspt.Leaf",["J.bspt.Node"],function(){c$=v(function(){this.tuples=null;s(this,arguments)},J.bspt,"Leaf",J.bspt.Element);t(c$,function(a,b,d){this.bspt=a;this.count=0;this.tuples=Array(2);if(null!=b){for(a=d;2>a;++a)this.tuples[this.count++]=b.tuples[a],b.tuples[a]=null;b.count=d}},"J.bspt.Bspt,J.bspt.Leaf,~N");c(c$,"sort",function(a){for(var b=this.count;0<--b;)for(var d=this.tuples[b],e=J.bspt.Node.getDimensionValue(d,a),c=b;0<=--c;){var f=this.tuples[c], -j=J.bspt.Node.getDimensionValue(f,a);j>e&&(this.tuples[b]=f,this.tuples[c]=d,d=f,e=j)}},"~N");h(c$,"addTuple",function(a,b){return 2>this.count?(this.tuples[this.count++]=b,this):(new J.bspt.Node(this.bspt,a,this)).addTuple(a,b)},"~N,JU.T3")});r("J.bspt");x(["J.bspt.Element"],"J.bspt.Node",["java.lang.NullPointerException","J.bspt.Leaf"],function(){c$=v(function(){this.maxLeft=this.minLeft=this.dim=0;this.eleLeft=null;this.maxRight=this.minRight=0;this.eleRight=null;s(this,arguments)},J.bspt,"Node", -J.bspt.Element);t(c$,function(a,b,d){this.bspt=a;b==a.treeDepth&&(a.treeDepth=b+1);if(2!=d.count)throw new NullPointerException;this.dim=b%a.dimMax;d.sort(this.dim);a=new J.bspt.Leaf(a,d,1);this.minLeft=J.bspt.Node.getDimensionValue(d.tuples[0],this.dim);this.maxLeft=J.bspt.Node.getDimensionValue(d.tuples[d.count-1],this.dim);this.minRight=J.bspt.Node.getDimensionValue(a.tuples[0],this.dim);this.maxRight=J.bspt.Node.getDimensionValue(a.tuples[a.count-1],this.dim);this.eleLeft=d;this.eleRight=a;this.count= -2},"J.bspt.Bspt,~N,J.bspt.Leaf");c(c$,"addTuple",function(a,b){var d=J.bspt.Node.getDimensionValue(b,this.dim);++this.count;dthis.minRight?0:d==this.maxLeft?d==this.minRight?this.eleLeft.countthis.maxLeft&&(this.maxLeft=d),this.eleLeft=this.eleLeft.addTuple(a+1,b)):(dthis.maxRight&&(this.maxRight=d),this.eleRight=this.eleRight.addTuple(a+ -1,b));return this},"~N,JU.T3");c$.getDimensionValue=c(c$,"getDimensionValue",function(a,b){null==a&&System.out.println("bspt.Node ???");switch(b){case 0:return a.x;case 1:return a.y;default:return a.z}},"JU.T3,~N")});r("J.c");x(["java.lang.Enum"],"J.c.CBK",["JU.SB"],function(){c$=E(J.c,"CBK",Enum);c$.getCallback=c(c$,"getCallback",function(a){a=a.toUpperCase();a=a.substring(0,Math.max(a.indexOf("CALLBACK"),0));for(var b,d=0,e=J.c.CBK.values();da.indexOf("_"))for(var b, -d=0,e=J.c.PAL.values();da.indexOf("_"))for(var b,d=0,e=J.c.PAL.values();dthis.id?"":a&&this.isProtein()?"protein":this.name()},"~B");c(c$,"isProtein",function(){return 0<=this.id&&3>=this.id||7<=this.id});z(c$,"NOT",0,[-1,4286611584]);z(c$,"NONE",1,[0,4294967295]);z(c$,"TURN",2,[1,4284514559]);z(c$,"SHEET",3,[2,4294952960]); -z(c$,"HELIX",4,[3,4294901888]);z(c$,"DNA",5,[4,4289593598]);z(c$,"RNA",6,[5,4294771042]);z(c$,"CARBOHYDRATE",7,[6,4289111802]);z(c$,"HELIX310",8,[7,4288675968]);z(c$,"HELIXALPHA",9,[8,4294901888]);z(c$,"HELIXPI",10,[9,4284481664]);z(c$,"ANNOTATION",11,[-2,0])});r("J.c");x(["java.lang.Enum"],"J.c.VDW",null,function(){c$=v(function(){this.pt=0;this.type2=this.type=null;s(this,arguments)},J.c,"VDW",Enum);t(c$,function(a,b,d){this.pt=a;this.type=b;this.type2=d},"~N,~S,~S");c(c$,"getVdwLabel",function(){return null== -this.type?this.type2:this.type});c$.getVdwType=c(c$,"getVdwType",function(a){if(null!=a)for(var b,d=0,e=J.c.VDW.values();d=c)this.line3d.plotLineDeltaOld(y.getColorArgbOrGray(a),y.getColorArgbOrGray(b),f,j,k,this.dxB,this.dyB,this.dzB,this.clipped);else{l=0==d&&(this.clipped||2==e||0==e);this.diameter=c;this.xA=f;this.yA=j;this.zA=k;this.endcaps=e;this.shadesA=y.getShades(this.colixA=a);this.shadesB=y.getShades(this.colixB=b);this.calcArgbEndcap(!0, -!1);this.calcCosSin(this.dxB,this.dyB,this.dzB);this.calcPoints(3,!1);this.interpolate(0,1,this.xyzfRaster,this.xyztRaster);this.interpolate(1,2,this.xyzfRaster,this.xyztRaster);k=this.xyzfRaster;2==e&&this.renderFlatEndcap(!0,!1,k);y.setZMargin(5);a=y.width;b=y.zbuf;c=k[0];f=k[1];j=k[2];k=k[3];h=y.pixel;for(m=this.rasterCount;0<=--m;)u=k[m]>>8,G=u>>1,N=c[m],p=f[m],r=j[m],this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(y.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+N,this.yEndcap+p,this.zEndcap- -r-1,a,b,h),y.plotPixelClippedArgb(this.argbEndcap,this.xEndcap-N,this.yEndcap-p,this.zEndcap+r-1,a,b,h)):(y.plotPixelUnclipped(this.argbEndcap,this.xEndcap+N,this.yEndcap+p,this.zEndcap-r-1,a,b,h),y.plotPixelUnclipped(this.argbEndcap,this.xEndcap-N,this.yEndcap-p,this.zEndcap+r-1,a,b,h))),this.line3d.plotLineDeltaAOld(this.shadesA,this.shadesB,d,u,this.xA+N,this.yA+p,this.zA-r,this.dxB,this.dyB,this.dzB,this.clipped),l&&this.line3d.plotLineDeltaOld(this.shadesA[G],this.shadesB[G],this.xA-N,this.yA- -p,this.zA+r,this.dxB,this.dyB,this.dzB,this.clipped);y.setZMargin(0);3==e&&this.renderSphericalEndcaps()}},"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"renderBitsFloat",function(a,b,d,e,c,f,j){var k=this.g3d;null==this.ptA0&&(this.ptA0=new JU.P3,this.ptB0=new JU.P3);this.ptA0.setT(f);var l=w(c/2)+1,h=Math.round(f.x),m=Math.round(f.y),p=Math.round(f.z),y=Math.round(j.x),u=Math.round(j.y),G=Math.round(j.z),N=k.clipCode3(h-l,m-l,p-l),h=k.clipCode3(h+l,m+l,p+l),m=k.clipCode3(y-l,u-l,G-l),l=k.clipCode3(y+ -l,u+l,G+l),y=N|h|m|l;this.clipped=0!=y;if(!(-1==y||0!=(N&l&h&m))){this.dxBf=j.x-f.x;this.dyBf=j.y-f.y;this.dzBf=j.z-f.z;0>8,h=G>>1,m=j[u],p=N[u],r=l[u];this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+m,this.yEndcap+p,this.zEndcap-r-1,a,b,c),k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap-m,this.yEndcap-p,this.zEndcap+r-1,a,b,c)):(k.plotPixelUnclipped(this.argbEndcap, -this.xEndcap+m,this.yEndcap+p,this.zEndcap-r-1,a,b,c),k.plotPixelUnclipped(this.argbEndcap,this.xEndcap-m,this.yEndcap-p,this.zEndcap+r-1,a,b,c)));this.ptA0.set(this.xA+m,this.yA+p,this.zA-r);this.ptB0.setT(this.ptA0);this.ptB0.x+=this.dxB;this.ptB0.y+=this.dyB;this.ptB0.z+=this.dzB;this.line3d.plotLineDeltaABitsFloat(this.shadesA,this.shadesB,G,this.ptA0,this.ptB0,d,this.clipped);f&&(this.ptA0.set(this.xA-m,this.yA-p,this.zA+r),this.ptB0.setT(this.ptA0),this.ptB0.x+=this.dxB,this.ptB0.y+=this.dyB, -this.ptB0.z+=this.dzB,this.line3d.plotLineDeltaABitsFloat(this.shadesA,this.shadesB,h,this.ptA0,this.ptB0,d,this.clipped))}k.setZMargin(0);3==e&&this.renderSphericalEndcaps();this.xAf+=this.dxBf;this.yAf+=this.dyBf;this.zAf+=this.dzBf}},"~N,~N,~N,~N,~N,JU.P3,JU.P3");c(c$,"renderBits",function(a,b,d,e,c,f,j){var k=this.g3d;if(0==c||1==c)this.line3d.plotLineBits(k.getColorArgbOrGray(a),k.getColorArgbOrGray(b),f,j,0,0,!1);else{this.ptA0i.setT(f);var l=w(c/2)+1,h=f.x,m=f.y,p=f.z,y=j.x,u=j.y,G=j.z,N=k.clipCode3(h- -l,m-l,p-l),h=k.clipCode3(h+l,m+l,p+l),m=k.clipCode3(y-l,u-l,G-l),l=k.clipCode3(y+l,u+l,G+l),y=N|h|m|l;this.clipped=0!=y;if(!(-1==y||0!=(N&l&h&m))){this.dxBf=j.x-f.x;this.dyBf=j.y-f.y;this.dzBf=j.z-f.z;0>8,h=G>>1,m=j[u],p=N[u],r=l[u];this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+m,this.yEndcap+p,this.zEndcap-r-1,a,b,c),k.plotPixelClippedArgb(this.argbEndcap, -this.xEndcap-m,this.yEndcap-p,this.zEndcap+r-1,a,b,c)):(k.plotPixelUnclipped(this.argbEndcap,this.xEndcap+m,this.yEndcap+p,this.zEndcap-r-1,a,b,c),k.plotPixelUnclipped(this.argbEndcap,this.xEndcap-m,this.yEndcap-p,this.zEndcap+r-1,a,b,c)));this.ptA0i.set(this.xA+m,this.yA+p,this.zA-r);this.ptB0i.setT(this.ptA0i);this.ptB0i.x+=this.dxB;this.ptB0i.y+=this.dyB;this.ptB0i.z+=this.dzB;this.line3d.plotLineDeltaABitsInt(this.shadesA,this.shadesB,G,this.ptA0i,this.ptB0i,d,this.clipped);f&&(this.ptA0i.set(this.xA- -m,this.yA-p,this.zA+r),this.ptB0i.setT(this.ptA0i),this.ptB0i.x+=this.dxB,this.ptB0i.y+=this.dyB,this.ptB0i.z+=this.dzB,this.line3d.plotLineDeltaABitsInt(this.shadesA,this.shadesB,h,this.ptA0i,this.ptB0i,d,this.clipped))}k.setZMargin(0);3==e&&this.renderSphericalEndcaps();this.xAf+=this.dxBf;this.yAf+=this.dyBf;this.zAf+=this.dzBf}}},"~N,~N,~N,~N,~N,JU.P3i,JU.P3i");c(c$,"renderConeOld",function(a,b,d,e,c,f,j,k,l,h,m){this.dxBf=j-(this.xAf=e);this.dyBf=k-(this.yAf=c);this.dzBf=l-(this.zAf=f);this.xA= -w(Math.floor(this.xAf));this.yA=w(Math.floor(this.yAf));this.zA=w(Math.floor(this.zAf));this.dxB=w(Math.floor(this.dxBf));this.dyB=w(Math.floor(this.dyBf));this.dzB=w(Math.floor(this.dzBf));this.xTip=j;this.yTip=k;this.zTip=l;this.shadesA=this.g3d.getShades(this.colixA=a);var p=this.shader.getShadeIndex(this.dxB,this.dyB,-this.dzB);a=this.g3d;e=a.pixel;c=a.width;f=a.zbuf;a.plotPixelClippedArgb(this.shadesA[p],C(j),C(k),C(l),c,f,e);this.diameter=d;if(1>=d)1==d&&this.line3d.plotLineDeltaOld(this.colixA, -this.colixA,this.xA,this.yA,this.zA,this.dxB,this.dyB,this.dzB,this.clipped);else{this.endcaps=b;this.calcArgbEndcap(!1,!0);this.generateBaseEllipsePrecisely(m);!m&&2==this.endcaps&&this.renderFlatEndcap(!1,!0,this.xyzfRaster);a.setZMargin(5);b=this.xyztRaster[0];d=this.xyztRaster[1];j=this.xyztRaster[2];k=this.xyzfRaster[3];l=this.shadesA;for(var p=this.endCapHidden&&0!=this.argbEndcap,y=this.rasterCount;0<=--y;){var u=b[y],G=d[y],N=j[y],r=k[y]>>8,q=this.xAf+u,s=this.yAf+G,t=this.zAf-N,u=this.xAf- -u,G=this.yAf-G,N=this.zAf+N,v=l[0];p&&(a.plotPixelClippedArgb(this.argbEndcap,C(q),C(s),C(t),c,f,e),a.plotPixelClippedArgb(this.argbEndcap,C(u),C(G),C(N),c,f,e));0!=v&&(this.line3d.plotLineDeltaAOld(l,l,0,r,C(q),C(s),C(t),w(Math.ceil(this.xTip-q)),w(Math.ceil(this.yTip-s)),w(Math.ceil(this.zTip-t)),!0),h&&(this.line3d.plotLineDeltaAOld(l,l,0,r,C(q),C(s)+1,C(t),w(Math.ceil(this.xTip-q)),w(Math.ceil(this.yTip-s))+1,w(Math.ceil(this.zTip-t)),!0),this.line3d.plotLineDeltaAOld(l,l,0,r,C(q)+1,C(s),C(t), -w(Math.ceil(this.xTip-q))+1,w(Math.ceil(this.yTip-s)),w(Math.ceil(this.zTip-t)),!0)),!m&&!(2!=this.endcaps&&0=b[0].length)for(;this.rasterCount>=b[0].length;){for(var e=4;0<=--e;)b[e]=JU.AU.doubleLengthI(b[e]);d[3]=JU.AU.doubleLengthF(d[3])}if(a)for(;this.rasterCount>=d[0].length;)for(e=3;0<=--e;)d[e]=JU.AU.doubleLengthF(d[e]);return this.rasterCount++},"~B,~A,~A");c(c$,"interpolate",function(a,b,d,e){var c=d[0],f=d[1],c=c[b]-c[a];0>c&&(c=-c);f=f[b]-f[a];0>f&&(f=-f);if(!(1>=c+f)){for(var j=this.allocRaster(!1, -d,e),c=d[0],f=d[1],k=d[3],l=e[3][a],h=e[3][b],m=4;0<=--m;){var p=(l+h)/2;this.calcRotatedPoint(p,j,!1,d,e);if(c[j]==c[a]&&f[j]==f[a])k[a]=k[a]+k[j]>>>1,l=p;else if(c[j]==c[b]&&f[j]==f[b])k[b]=k[b]+k[j]>>>1,h=p;else{this.interpolate(a,j,d,e);this.interpolate(j,b,d,e);return}}c[j]=c[a];f[j]=f[b]}},"~N,~N,~A,~A");c(c$,"interpolatePrecisely",function(a,b,d,e){var c=e[0],f=e[1],j=w(Math.floor(c[b]))-w(Math.floor(c[a]));0>j&&(j=-j);f=w(Math.floor(f[b]))-w(Math.floor(f[a]));0>f&&(f=-f);if(!(1>=j+f)){for(var f= -e[3],j=f[a],k=f[b],l=this.allocRaster(!0,d,e),c=e[0],f=e[1],h=d[3],m=4;0<=--m;){var p=(j+k)/2;this.calcRotatedPoint(p,l,!0,d,e);if(w(Math.floor(c[l]))==w(Math.floor(c[a]))&&w(Math.floor(f[l]))==w(Math.floor(f[a])))h[a]=h[a]+h[l]>>>1,j=p;else if(w(Math.floor(c[l]))==w(Math.floor(c[b]))&&w(Math.floor(f[l]))==w(Math.floor(f[b])))h[b]=h[b]+h[l]>>>1,k=p;else{this.interpolatePrecisely(a,l,d,e);this.interpolatePrecisely(l,b,d,e);return}}c[l]=c[a];f[l]=f[b]}},"~N,~N,~A,~A");c(c$,"renderFlatEndcap",function(a, -b,d){var e,c;if(b){if(0==this.dzBf||!this.g3d.setC(this.colixEndcap))return;b=this.xAf;e=this.yAf;c=this.zAf;a&&0>this.dzBf&&(b+=this.dxBf,e+=this.dyBf,c+=this.dzBf);b=C(b);e=C(e);c=C(c)}else{if(0==this.dzB||!this.g3d.setC(this.colixEndcap))return;b=this.xA;e=this.yA;c=this.zA;a&&0>this.dzB&&(b+=this.dxB,e+=this.dyB,c+=this.dzB)}var f=d[1][0];a=d[1][0];var j=0,k=0,l=d[0],h=d[1];d=d[2];for(var m=this.rasterCount;0<--m;){var p=h[m];pa?a=p:(p=-p,pa&&(a=p))}for(p=f;p<=a;++p){for(var f= -2147483647,y=-2147483648,m=this.rasterCount;0<=--m;){if(h[m]==p){var u=l[m];uy&&(y=u,k=d[m])}h[m]==-p&&(u=-l[m],uy&&(y=u,k=-d[m]))}m=y-f+1;this.g3d.setColorNoisy(this.endcapShadeIndex);this.g3d.plotPixelsClippedRaster(m,b+f,e+p,c-j-1,c-k-1,null,null)}},"~B,~B,~A");c(c$,"renderSphericalEndcaps",function(){0!=this.colixA&&this.g3d.setC(this.colixA)&&this.g3d.fillSphereXYZ(this.diameter,this.xA,this.yA,this.zA+1);0!=this.colixB&&this.g3d.setC(this.colixB)&&this.g3d.fillSphereXYZ(this.diameter, -this.xA+this.dxB,this.yA+this.dyB,this.zA+this.dzB+1)});c(c$,"calcArgbEndcap",function(a,b){this.tEvenDiameter=0==(this.diameter&1);this.radius=this.diameter/2;this.radius2=this.radius*this.radius;this.endCapHidden=!1;var d=b?this.dzBf:this.dzB;if(!(3==this.endcaps||0==d)){this.xEndcap=this.xA;this.yEndcap=this.yA;this.zEndcap=this.zA;var e=b?this.dxBf:this.dxB,c=b?this.dyBf:this.dyB;0<=d||!a?(this.endcapShadeIndex=this.shader.getShadeIndex(-e,-c,d),this.colixEndcap=this.colixA,d=this.shadesA):(this.endcapShadeIndex= -this.shader.getShadeIndex(e,c,-d),this.colixEndcap=this.colixB,d=this.shadesB,this.xEndcap+=this.dxB,this.yEndcap+=this.dyB,this.zEndcap+=this.dzB);56>24&15){case 0:d=e;a=c;break;case 1:d=(e<<2)+(e<<1)+e+d>>3&16711935;a=(c<<2)+ +(c<<1)+c+a>>3&65280;break;case 2:d=(e<<1)+e+d>>2&16711935;a=(c<<1)+c+a>>2&65280;break;case 3:d=(e<<2)+e+(d<<1)+d>>3&16711935;a=(c<<2)+c+(a<<1)+a>>3&65280;break;case 4:d=d+e>>1&16711935;a=a+ -c>>1&65280;break;case 5:d=(e<<1)+e+(d<<2)+d>>3&16711935;a=(c<<1)+c+(a<<2)+a>>3&65280;break;case 6:d=(d<<1)+d+e>>2&16711935;a=(a<<1)+a+c>>2&65280;break;case 7:d=(d<<2)+(d<<1)+d+e>>3&16711935,a=(a<<2)+(a<<1)+a+c>>3&65280}return 4278190080|d|a},"~N,~N,~N");h(c$,"getScreenImage",function(a){var b=this.platform.bufferedImage;a&&this.releaseBuffers();return b},"~B");h(c$,"applyAnaglygh",function(a,b){switch(a){case J.c.STER.REDCYAN:for(var d=this.anaglyphLength;0<=--d;){var e=this.anaglyphChannelBytes[d]& -255;this.pbuf[d]=this.pbuf[d]&4294901760|e<<8|e}break;case J.c.STER.CUSTOM:for(var e=b[0],c=b[1]&16777215,d=this.anaglyphLength;0<=--d;){var f=this.anaglyphChannelBytes[d]&255,f=(f|(f|f<<8)<<8)&c;this.pbuf[d]=this.pbuf[d]&e|f}break;case J.c.STER.REDBLUE:for(d=this.anaglyphLength;0<=--d;)e=this.anaglyphChannelBytes[d]&255,this.pbuf[d]=this.pbuf[d]&4294901760|e;break;case J.c.STER.REDGREEN:for(d=this.anaglyphLength;0<=--d;)this.pbuf[d]=this.pbuf[d]&4294901760|(this.anaglyphChannelBytes[d]&255)<<8}}, -"J.c.STER,~A");h(c$,"snapshotAnaglyphChannelBytes",function(){if(this.currentlyRendering)throw new NullPointerException;this.anaglyphLength=this.windowWidth*this.windowHeight;if(null==this.anaglyphChannelBytes||this.anaglyphChannelBytes.length!=this.anaglyphLength)this.anaglyphChannelBytes=P(this.anaglyphLength,0);for(var a=this.anaglyphLength;0<=--a;)this.anaglyphChannelBytes[a]=this.pbuf[a]});h(c$,"releaseScreenImage",function(){this.platform.clearScreenBufferThreaded()});h(c$,"haveTranslucentObjects", -function(){return this.$haveTranslucentObjects});h(c$,"setSlabAndZShade",function(a,b,d,e,c){this.setSlab(a);this.setDepth(b);d>2&1061109567)<<2,j=j+((j&3233857728)>>6),k=0,l=0,f=d;0<=--f;l+=c)for(d=b;0<=--d;++k){var h=(a[l]>>2&1061109567)+(a[l++ +c]>>2&1061109567)+(a[l]>>2&1061109567)+(a[l++ +c]>>2&1061109567),h=h+((h&3233857728)>>6);h==j&&(h=e);a[k]=h&16777215|4278190080}}, -"~A,~N,~N,~N");c$.downsample2dZ=c(c$,"downsample2dZ",function(a,b,d,e,c){for(var f=d<<1,j=0,k=0;0<=--e;k+=f)for(var l=d;0<=--l;++j,++k){var h=Math.min(b[k],b[k+f]),h=Math.min(h,b[++k]),h=Math.min(h,b[k+f]);2147483647!=h&&(h>>=1);b[j]=a[j]==c?2147483647:h}},"~A,~A,~N,~N,~N");c(c$,"hasContent",function(){return this.platform.hasContent()});h(c$,"setC",function(a){var b=JU.C.isColixLastAvailable(a);if(!b&&a==this.colixCurrent&&-1==this.currentShadeIndex)return!0;var d=a&30720;if(16384==d)return!1;this.renderLow&& -(d=0);var e=0!=d,c=e&&30720==d;this.setScreened(c);if(!this.checkTranslucent(e&&!c))return!1;this.isPass2?(this.translucencyMask=d<<13|16777215,this.translucencyLog=d>>11):this.translucencyLog=0;this.colixCurrent=a;b&&this.argbCurrent!=this.lastRawColor&&(0==this.argbCurrent&&(this.argbCurrent=4294967295),this.lastRawColor=this.argbCurrent,this.shader.setLastColix(this.argbCurrent,this.inGreyscaleMode));this.shadesCurrent=this.getShades(a);this.currentShadeIndex=-1;this.setColor(this.getColorArgbOrGray(a)); -return!0},"~N");c(c$,"setScreened",function(a){this.wasScreened!=a&&((this.wasScreened=a)?(null==this.pixelScreened&&(this.pixelScreened=new J.g3d.PixelatorScreened(this,this.pixel0)),null==this.pixel.p0?this.pixel=this.pixelScreened:this.pixel.p0=this.pixelScreened):null==this.pixel.p0||this.pixel===this.pixelScreened?this.pixel=this.isPass2?this.pixelT0:this.pixel0:this.pixel.p0=this.isPass2?this.pixelT0:this.pixel0);return this.pixel},"~B");h(c$,"drawFilledCircle",function(a,b,d,e,c,f){if(!this.isClippedZ(f)){var j= -w((d+1)/2),j=e=this.width||c=this.height;if(!j||!this.isClippedXY(d,e,c))0!=a&&this.setC(a)&&(j?this.isClippedXY(d,e,c)||this.circle3d.plotCircleCenteredClipped(e,c,f,d):this.circle3d.plotCircleCenteredUnclipped(e,c,f,d)),0!=b&&this.setC(b)&&(j?this.circle3d.plotFilledCircleCenteredClipped(e,c,f,d):this.circle3d.plotFilledCircleCenteredUnclipped(e,c,f,d))}},"~N,~N,~N,~N,~N,~N");h(c$,"volumeRender4",function(a,b,d,e){if(1==a)this.plotPixelClippedArgb(this.argbCurrent,b,d,e,this.width, -this.zbuf,this.pixel);else if(!this.isClippedZ(e)){var c=w((a+1)/2),c=b=this.width||d=this.height;if(!c||!this.isClippedXY(a,b,d))c?this.circle3d.plotFilledCircleCenteredClipped(b,d,e,a):this.circle3d.plotFilledCircleCenteredUnclipped(b,d,e,a)}},"~N,~N,~N,~N");h(c$,"fillSphereXYZ",function(a,b,d,e){switch(a){case 1:this.plotPixelClippedArgb(this.argbCurrent,b,d,e,this.width,this.zbuf,this.pixel);return;case 0:return}a<=(this.antialiasThisFrame?2E3:1E3)&&this.sphere3d.render(this.shadesCurrent, -a,b,d,e,null,null,null,-1,null)},"~N,~N,~N,~N");h(c$,"volumeRender",function(a){a?(this.saveAmbient=this.getAmbientPercent(),this.saveDiffuse=this.getDiffusePercent(),this.setAmbientPercent(100),this.setDiffusePercent(0),this.addRenderer(1073741880)):(this.setAmbientPercent(this.saveAmbient),this.setDiffusePercent(this.saveDiffuse))},"~B");h(c$,"fillSphereI",function(a,b){this.fillSphereXYZ(a,b.x,b.y,b.z)},"~N,JU.P3i");h(c$,"fillSphereBits",function(a,b){this.fillSphereXYZ(a,Math.round(b.x),Math.round(b.y), -Math.round(b.z))},"~N,JU.P3");h(c$,"fillEllipsoid",function(a,b,d,e,c,f,j,k,l,h,m){switch(f){case 1:this.plotPixelClippedArgb(this.argbCurrent,d,e,c,this.width,this.zbuf,this.pixel);return;case 0:return}f<=(this.antialiasThisFrame?2E3:1E3)&&this.sphere3d.render(this.shadesCurrent,f,d,e,c,j,k,l,h,m)},"JU.P3,~A,~N,~N,~N,~N,JU.M3,~A,JU.M4,~N,~A");h(c$,"drawRect",function(a,b,d,e,c,f){if(!(0!=e&&this.isClippedZ(e))){e=c-1;f-=1;c=a+e;var j=b+f;0<=b&&be&&(a+=e,e=-e);0>a&&(e+=a,a=0);a+e>=this.width&&(e=this.width-1-a);var c=this.pixel,f=this.argbCurrent;a+=this.width*b;for(b=0;b<=e;b++)de&&(b+=e,e=-e);0>b&&(e+=b,b=0);b+e>=this.height&&(e=this.height-1-b);a+=this.width*b;b=this.pixel;for(var c= -this.argbCurrent,f=0;f<=e;f++)da){c+=a;if(0>=c)return;a=0}if(a+c>e&&(c=e-a,0>=c))return;if(0>b){f+=b;if(0>=f)return;b=0}b+f>this.height&&(f=this.height-b);for(var j=this.argbCurrent,k=this.zbuf,l=this.pixel;0<=--f;)this.plotPixelsUnclippedCount(j,c,a,b++,d,e,k,l)}},"~N,~N,~N,~N,~N,~N");h(c$,"drawString",function(a,b,d,e,c,f,j){this.currentShadeIndex=0; -null!=a&&(this.isClippedZ(f)||this.drawStringNoSlab(a,b,d,e,c,j))},"~S,JU.Font,~N,~N,~N,~N,~N");h(c$,"drawStringNoSlab",function(a,b,d,e,c,f){if(null!=a){null==this.strings&&(this.strings=Array(10));this.stringCount==this.strings.length&&(this.strings=JU.AU.doubleLength(this.strings));var j=new J.g3d.TextString;j.setText(a,null==b?this.currentFont:this.currentFont=b,this.argbCurrent,JU.C.isColixTranslucent(f)?this.getColorArgbOrGray(f)&16777215|(f&30720)<<13:0,d,e,c);this.strings[this.stringCount++]= -j}},"~S,JU.Font,~N,~N,~N,~N");h(c$,"renderAllStrings",function(a){if(null!=this.strings){2<=this.stringCount&&(null==J.g3d.Graphics3D.sort&&(J.g3d.Graphics3D.sort=new J.g3d.TextString),java.util.Arrays.sort(this.strings,J.g3d.Graphics3D.sort));for(var b=0;b=a+j||a>=this.width||0>=b+k||b>=this.height))if(e=this.apiPlatform.drawImageToBuffer(null, -this.platform.offscreenImage,e,j,k,l?f:0),null!=e){var l=this.zbuf,h=this.width,m=this.pixel,p=this.height,y=this.translucencyLog;if(null==c&&0<=a&&a+j<=h&&0<=b&&b+k<=p){var u=0,G=0;for(a=b*h+a;ue||(this.plotPoints(a,b,c,f),this.plotPoints(a,b,c,f));else this.plotPoints(a,b,0,0)},"~N,~A,~N");h(c$,"drawDashedLineBits",function(a,b,d,e){this.isAntialiased()&& -(a+=a,b+=b);this.setScreeni(d,this.sA);this.setScreeni(e,this.sB);this.line3d.plotLineBits(this.argbCurrent,this.argbCurrent,this.sA,this.sB,a,b,!0);this.isAntialiased()&&(Math.abs(d.x-e.x)this.ht3)){var m=0;this.currentShadeIndex=0;this.setC(b)||(b=0);this.wasScreened&&(m=2);this.setC(a)||(a=0);this.wasScreened&&(m+=1);0==a&&0==b||this.cylinder3d.renderOld(a,b,m,d,e,c,f,j,k,l,h)}}, -"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");h(c$,"fillCylinderScreen3I",function(a,b,d,e){b<=this.ht3&&this.cylinder3d.renderOld(this.colixCurrent,this.colixCurrent,0,a,b,C(d.x),C(d.y),C(d.z),C(e.x),C(e.y),C(e.z))},"~N,~N,JU.P3,JU.P3,JU.P3,JU.P3,~N");h(c$,"fillCylinder",function(a,b,d,e){b<=this.ht3&&this.cylinder3d.renderOld(this.colixCurrent,this.colixCurrent,0,a,b,d.x,d.y,d.z,e.x,e.y,e.z)},"~N,~N,JU.P3i,JU.P3i");h(c$,"fillCylinderBits",function(a,b,d,e){b<=this.ht3&&(1!=d.z&&1!=e.z)&&(0==b||1==b?(this.setScreeni(d, -this.sA),this.setScreeni(e,this.sB),this.line3d.plotLineBits(this.getColorArgbOrGray(this.colixCurrent),this.getColorArgbOrGray(this.colixCurrent),this.sA,this.sB,0,0,!1)):this.cylinder3d.renderBitsFloat(this.colixCurrent,this.colixCurrent,0,a,b,d,e))},"~N,~N,JU.P3,JU.P3");h(c$,"fillCylinderBits2",function(a,b,d,e,c,f){if(!(e>this.ht3)){var j=0;this.currentShadeIndex=0;this.setC(b)||(b=0);this.wasScreened&&(j=2);this.setC(a)||(a=0);this.wasScreened&&(j+=1);0==a&&0==b||(this.setScreeni(c,this.sA), -this.setScreeni(f,this.sB),this.cylinder3d.renderBits(a,b,j,d,e,this.sA,this.sB))}},"~N,~N,~N,~N,JU.P3,JU.P3");h(c$,"fillConeScreen3f",function(a,b,d,e,c){b<=this.ht3&&this.cylinder3d.renderConeOld(this.colixCurrent,a,b,d.x,d.y,d.z,e.x,e.y,e.z,!0,c)},"~N,~N,JU.P3,JU.P3,~B");h(c$,"drawHermite4",function(a,b,d,e,c){this.hermite3d.renderHermiteRope(!1,a,0,0,0,b,d,e,c)},"~N,JU.P3,JU.P3,JU.P3,JU.P3");h(c$,"drawHermite7",function(a,b,d,e,c,f,j,k,l,h,m,p,y){if(0==y)this.hermite3d.renderHermiteRibbon(a,b, -d,e,c,f,j,k,l,h,m,p,0);else{this.hermite3d.renderHermiteRibbon(a,b,d,e,c,f,j,k,l,h,m,p,1);var u=this.colixCurrent;this.setC(y);this.hermite3d.renderHermiteRibbon(a,b,d,e,c,f,j,k,l,h,m,p,-1);this.setC(u)}},"~B,~B,~N,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,~N,~N");h(c$,"fillHermite",function(a,b,d,e,c,f,j,k){this.hermite3d.renderHermiteRope(!0,a,b,d,e,c,f,j,k)},"~N,~N,~N,~N,JU.P3,JU.P3,JU.P3,JU.P3");h(c$,"drawTriangle3C",function(a,b,d,e,c,f,j){1==(j&1)&&this.drawLine(b,e,a.x,a.y,a.z,d.x,d.y, -d.z);2==(j&2)&&this.drawLine(e,f,d.x,d.y,d.z,c.x,c.y,c.z);4==(j&4)&&this.drawLine(b,f,a.x,a.y,a.z,c.x,c.y,c.z)},"JU.P3i,~N,JU.P3i,~N,JU.P3i,~N,~N");h(c$,"fillTriangleTwoSided",function(a,b,d,e){this.setColorNoisy(this.getShadeIndex(a));this.fillTriangleP3f(b,d,e,!1)},"~N,JU.P3,JU.P3,JU.P3");c(c$,"fillTriangleP3f",function(a,b,d,e){this.setScreeni(a,this.sA);this.setScreeni(b,this.sB);this.setScreeni(d,this.sC);this.triangle3d.fillTriangle(this.sA,this.sB,this.sC,e)},"JU.P3,JU.P3,JU.P3,~B");h(c$,"fillTriangle3f", -function(a,b,d,e){var c=this.getShadeIndexP3(a,b,d,e);0>c||(e?this.setColorNoisy(c):this.setColor(this.shadesCurrent[c]),this.fillTriangleP3f(a,b,d,!1))},"JU.P3,JU.P3,JU.P3,~B");h(c$,"fillTriangle3i",function(a,b,d,e,c,f,j){j&&(e=this.vectorAB,e.set(b.x-a.x,b.y-a.y,b.z-a.z),null==d?e=this.shader.getShadeIndex(-e.x,-e.y,e.z):(this.vectorAC.set(d.x-a.x,d.y-a.y,d.z-a.z),e.cross(e,this.vectorAC),e=0<=e.z?this.shader.getShadeIndex(-e.x,-e.y,e.z):this.shader.getShadeIndex(e.x,e.y,-e.z)),56a?this.shadeIndexes2Sided[~a]:this.shadeIndexes[a]},"~N");c(c$,"setTriangleTranslucency", -function(a,b,d){this.isPass2&&(a&=14336,b&=14336,d&=14336,this.translucencyMask=(JU.GData.roundInt(w((a+b+d)/3))&30720)<<13|16777215)},"~N,~N,~N");h(c$,"fillQuadrilateral",function(a,b,d,e,c){c=this.getShadeIndexP3(a,b,d,c);0>c||(this.setColorNoisy(c),this.fillTriangleP3f(a,b,d,!1),this.fillTriangleP3f(a,d,e,!1))},"JU.P3,JU.P3,JU.P3,JU.P3,~B");h(c$,"drawSurface",function(){},"JU.MeshSurface,~N");h(c$,"plotPixelClippedP3i",function(a){this.plotPixelClippedArgb(this.argbCurrent,a.x,a.y,a.z,this.width, -this.zbuf,this.pixel)},"JU.P3i");c(c$,"plotPixelClippedArgb",function(a,b,d,e,c,f,j){this.isClipped3(b,d,e)||(b=d*c+b,eb||(b>=j||0>d||d>=k)||h.addImagePixel(c,m,d*j+b,e,a,f)},"~N,~N,~N,~N,~N,~N,~N,~N,~A,~O,~N");c(c$,"plotPixelsClippedRaster",function(a,b,d,e, -c,f,j){var k,l;if(!(0>=a||0>d||d>=this.height||b>=this.width||e<(l=this.slab)&&c(k=this.depth)&&c>k)){var h=this.zbuf,m=(b<<16)+(d<<1)^858993459,p=(e<<10)+512;e=c-e;c=w(a/2);e=JU.GData.roundInt(w(((e<<10)+(0<=e?c:-c))/a));if(0>b){b=-b;p+=e*b;a-=b;if(0>=a)return;b=0}a+b>this.width&&(a=this.width-b);b=d*this.width+b;d=this.pixel;if(null==f){f=this.argbNoisyDn;c=this.argbNoisyUp;for(var y=this.argbCurrent;0<=--a;){j=p>>10;if(j>=l&&j<=k&&j>16&7;d.addPixel(b, -j,0==u?f:1==u?c:y)}++b;p+=e}}else{m=f.r<<8;c=w((j.r-f.r<<8)/a);y=f.g;u=w((j.g-y)/a);f=f.b;for(var G=w((j.b-f)/a);0<=--a;)j=p>>10,j>=l&&(j<=k&&j>8&255),++b,p+=e,m+=c,y+=u,f+=G}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16");c(c$,"plotPixelsUnclippedRaster",function(a,b,d,e,c,f,j){if(!(0>=a)){var k=((b<<16)+(d<<1)^858993459)&2147483647,l=(e<<10)+512;e=c-e;c=w(a/2);e=JU.GData.roundInt(w(((e<<10)+(0<=e?c:-c))/a));b=d*this.width+b;d=this.zbuf;c=this.pixel; -if(null==f){f=this.argbNoisyDn;for(var h=this.argbNoisyUp,m=this.argbCurrent;0<=--a;){j=l>>10;if(j>16&7;c.addPixel(b,j,0==p?f:1==p?h:m)}++b;l+=e}}else{k=f.r<<8;h=JU.GData.roundInt(w((j.r-f.r<<8)/a));m=f.g;p=JU.GData.roundInt(w((j.g-m)/a));f=f.b;for(var y=JU.GData.roundInt(w((j.b-f)/a));0<=--a;)j=l>>10,j>8&255),++b,l+=e,k+=h,m+=p,f+=y}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16");c(c$,"plotPixelsClippedRasterBits", -function(a,b,d,e,c,f,j,k,l){var h,m;if(!(0>=a||0>d||d>=this.height||b>=this.width||e<(m=this.slab)&&c(h=this.depth)&&c>h)){e=this.zbuf;var p=(b<<16)+(d<<1)^858993459;if(0>b){a-=-b;if(0>=a)return;b=0}a+b>this.width&&(a=this.width-b);d=d*this.width+b;c=this.pixel;if(null==f){f=this.argbNoisyDn;for(var y=this.argbNoisyUp,u=this.argbCurrent;0<=--a;){j=this.line3d.getZCurrent(k,l,b++);if(j>=m&&j<=h&&j>16&7;c.addPixel(d,j,2>G?f:6>G?y:u)}++d}}else{p=f.r<< -8;y=w((j.r-f.r<<8)/a);u=f.g;G=w((j.g-u)/a);f=f.b;for(var r=w((j.b-f)/a);0<=--a;)j=this.line3d.getZCurrent(k,l,b++),j>=m&&(j<=h&&j>8&255),++d,p+=y,u+=G,f+=r}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16,~N,~N");c(c$,"plotPixelsUnclippedRasterBits",function(a,b,d,e,c,f,j){if(!(0>=a)){var k=((b<<16)+(d<<1)^858993459)&2147483647;d=d*this.width+b;var l=this.zbuf,h=this.pixel;if(null==e)for(var m=this.argbNoisyDn,p=this.argbNoisyUp,y=this.argbCurrent;0<=--a;)c= -this.line3d.getZCurrent(f,j,b++),c>16&7,h.addPixel(d,c,0==e?m:1==e?p:y)),++d;else{k=e.r<<8;m=JU.GData.roundInt(w((c.r-e.r<<8)/a));p=e.g;y=JU.GData.roundInt(w((c.g-p)/a));e=e.b;for(var u=JU.GData.roundInt(w((c.b-e)/a));0<=--a;)c=this.line3d.getZCurrent(f,j,b++),c>8&255),++d,k+=m,p+=y,e+=u}}},"~N,~N,~N,JU.Rgb16,JU.Rgb16,~N,~N");c(c$,"plotPixelsUnclippedCount",function(a,b,d,e,c,f,j,k){for(d=e*f+d;0<=--b;)c< -j[d]&&k.addPixel(d,c,a),++d},"~N,~N,~N,~N,~N,~N,~A,J.g3d.Pixelator");c(c$,"plotPoints",function(a,b,d,e){var c=this.pixel,f=this.argbCurrent,j=this.zbuf,k=this.width,l=this.antialiasThisFrame;for(a*=3;0a?a+1:63];this.argbNoisyDn=this.shadesCurrent[0a.z?this.shader.getShadeIndex(a.x,a.y,-a.z):e?-1:this.shader.getShadeIndex(-a.x,-a.y,a.z)},"JU.P3,JU.P3,JU.P3,~B");h(c$,"renderBackground",function(a){null!= -this.backgroundImage&&this.plotImage(-2147483648,0,-2147483648,this.backgroundImage,a,0,0,0)},"J.api.JmolRendererInterface");h(c$,"drawAtom",function(a){this.fillSphereXYZ(a.sD,a.sX,a.sY,a.sZ)},"JM.Atom,~N");h(c$,"getExportType",function(){return 0});h(c$,"getExportName",function(){return null});c(c$,"canDoTriangles",function(){return!0});c(c$,"isCartesianExport",function(){return!1});h(c$,"initializeExporter",function(){return null},"JV.Viewer,~N,JU.GData,java.util.Map");h(c$,"finalizeOutput",function(){return null}); -h(c$,"drawBond",function(){},"JU.P3,JU.P3,~N,~N,~N,~N,~N");h(c$,"drawEllipse",function(){return!1},"JU.P3,JU.P3,JU.P3,~B,~B");c(c$,"getPrivateKey",function(){return 0});h(c$,"clearFontCache",function(){J.g3d.TextRenderer.clearFontCache()});c(c$,"setRotationMatrix",function(a){for(var b=JU.Normix.getVertexVectors(),d=JU.GData.normixCount;0<=--d;){var e=this.transformedVectors[d];a.rotate2(b[d],e);this.shadeIndexes[d]=this.shader.getShadeB(e.x,-e.y,e.z);this.shadeIndexes2Sided[d]=0<=e.z?this.shadeIndexes[d]: -this.shader.getShadeB(-e.x,e.y,-e.z)}},"JU.M3");h(c$,"renderCrossHairs",function(a,b,d,e,c){b=this.isAntialiased();this.setC(0>c?10:100>=1;this.setC(a[1]e.x?21:11);this.drawRect(c+k,d,f,0, -k,b);this.setC(a[3]e.y?21:11);this.drawRect(c,d+k,f,0,b,k)},"~A,~N,~N,JU.P3,~N");h(c$,"initializeOutput",function(){return!1},"JV.Viewer,~N,java.util.Map");F(c$,"sort",null,"nullShadeIndex",50)});r("J.g3d");x(["J.g3d.PrecisionRenderer","java.util.Hashtable"],"J.g3d.LineRenderer",["java.lang.Float","JU.BS"],function(){c$=v(function(){this.lineBits=this.shader=this.g3d=null;this.slope=0;this.lineTypeX=!1;this.nBits=0;this.slopeKey=this.lineCache= -null;this.z2t=this.y2t=this.x2t=this.z1t=this.y1t=this.x1t=0;s(this,arguments)},J.g3d,"LineRenderer",J.g3d.PrecisionRenderer);O(c$,function(){this.lineCache=new java.util.Hashtable});t(c$,function(a){H(this,J.g3d.LineRenderer,[]);this.g3d=a;this.shader=a.shader},"J.g3d.Graphics3D");c(c$,"setLineBits",function(a,b){this.slope=0!=a?b/a:0<=b?3.4028235E38:-3.4028235E38;this.nBits=(this.lineTypeX=1>=this.slope&&-1<=this.slope)?this.g3d.width:this.g3d.height;this.slopeKey=Float.$valueOf(this.slope);if(this.lineCache.containsKey(this.slopeKey))this.lineBits= -this.lineCache.get(this.slopeKey);else{this.lineBits=JU.BS.newN(this.nBits);b=Math.abs(b);a=Math.abs(a);if(b>a){var d=a;a=b;b=d}for(var d=0,e=a+a,c=b+b,f=0;fa&&(this.lineBits.set(f),d-=e);this.lineCache.put(this.slopeKey,this.lineBits)}},"~N,~N");c(c$,"clearLineCache",function(){this.lineCache.clear()});c(c$,"plotLineOld",function(a,b,d,e,c,f,j,k){this.x1t=d;this.x2t=f;this.y1t=e;this.y2t=j;this.z1t=c;this.z2t=k;var l=!0;switch(this.getTrimmedLineImpl()){case 0:l=!1;break;case 2:return}this.plotLineClippedOld(a, -b,d,e,c,f-d,j-e,k-c,l,0,0)},"~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"plotLineDeltaOld",function(a,b,d,e,c,f,j,k,l){this.x1t=d;this.x2t=d+f;this.y1t=e;this.y2t=e+j;this.z1t=c;this.z2t=c+k;if(l)switch(this.getTrimmedLineImpl()){case 2:return;case 0:l=!1}this.plotLineClippedOld(a,b,d,e,c,f,j,k,l,0,0)},"~N,~N,~N,~N,~N,~N,~N,~N,~B");c(c$,"plotLineDeltaAOld",function(a,b,d,e,c,f,j,k,l,h,m){this.x1t=c;this.x2t=c+k;this.y1t=f;this.y2t=f+l;this.z1t=j;this.z2t=j+h;if(m)switch(this.getTrimmedLineImpl()){case 2:return; -case 0:m=!1}var p=this.g3d.zbuf,y=this.g3d.width,u=0,G=f*y+c,r=this.g3d.bufferSize,q=63>e?e+1:e,s=0k&&(k=-k,m=-1);0>l&&(l=-l,s=-y);y=k+k;f=l+l;j<<=10;if(l<=k){var z=k-1;0>h&&(z=-z);h=w(((h<<10)+z)/k);l=0;z=Math.abs(c-this.x2t)-1;c=Math.abs(c-this.x1t)-1;for(var x=k-1,B=w(x/ -2);--x>=z;){if(x==B){a=A;if(0==a)break;t=q;v=b;0!=d%3&&(e=this.g3d.setScreened(2==(d&2)),this.g3d.currentShadeIndex=0)}G+=m;j+=h;l+=f;l>k&&(G+=s,l-=y);if(0!=a&&xu){var D=j>>10;if(DC?v:170h&&(z=-z);h=w(((h<<10)+z)/l);k=0;z=Math.abs(x-this.y2t)-1;c=Math.abs(x-this.y1t)-1;x=l-1;for(B=w(x/2);--x>=z;){if(x==B){a=A;if(0==a)break;t=q;v=b;0!=d%3&&(e=this.g3d.setScreened(2==(d&2)),this.g3d.currentShadeIndex= -0)}G+=s;j+=h;k+=y;k>l&&(G+=m,k-=f);0!=a&&(xu)&&(D=j>>10,DC?v:170d?d+1:d,p=0m)&&(e=this.getZCurrent(this.a,this.b,q),er?G:170v;)v+=this.nBits;this.lineBits.get(v%this.nBits)&&(p+=u)}}},"~A,~A,~N,JU.P3,JU.P3,~N,~B");c(c$,"plotLineDeltaABitsInt",function(a,b,d,e,c,f,j){var k=e.x,l=e.y,h=e.z,m=c.x,p=c.y,y=c.z,u=m-k,G=p-l;this.x1t=k;this.x2t= -m;this.y1t=l;this.y2t=p;this.z1t=h;this.z2t=y;if(!(j&&2==this.getTrimmedLineImpl())){j=this.g3d.zbuf;var r=this.g3d.width,m=0,y=63>d?d+1:d,p=0m)&&(e=this.getZCurrent(this.a,this.b,q),er?G:170v;)v+=this.nBits;this.lineBits.get(v%this.nBits)&&(p+=u)}}},"~A,~A,~N,JU.P3i,JU.P3i,~N,~B");c(c$,"plotLineBits",function(a,b,d,e,c,f,j){if(!(1>= -d.z||1>=e.z)){var k=!0;this.x1t=d.x;this.y1t=d.y;this.z1t=d.z;this.x2t=e.x;this.y2t=e.y;this.z2t=e.z;switch(this.getTrimmedLineImpl()){case 2:return;case 0:k=!1;break;default:j&&(d.set(this.x1t,this.y1t,this.z1t),e.set(this.x2t,this.y2t,this.z2t))}j=this.g3d.zbuf;var l=this.g3d.width,h=0;0==c&&(f=2147483647,c=1);var m=d.x,p=d.y,y=d.z,u=e.x-m,G=m+u,r=e.y-p,q=p+r,s=p*l+m,t=this.g3d.bufferSize,v=this.g3d.pixel;0!=a&&(!k&&0<=s&&su&&(u=-u, -k=-1);0>r&&(r=-r,y=-l,x=-1);var l=u+u,A=r+r;if(r<=u){this.setRastAB(d.x,d.z,e.x,e.z);p=0;d=Math.abs(G-this.x2t)-1;G=Math.abs(G-this.x1t)-1;q=u-1;for(e=w(q/2);--q>=d&&!(q==e&&(a=b,0==a));){s+=k;m+=k;p+=A;p>u&&(s+=y,p-=l);if(0!=a&&q=d&&!(q==e&&(a=b,0==a));)s+=y,p+=x,m+=l,m>r&&(s+=k,m-=A),0!= -a&&(qf&&(f=-f,l=-1);0>j&&(j=-j,s=-y);y=f+f;e=j+j;c<<=10;if(j<=f){var v=f-1;0>k&&(v=-v);k=w(((k<<10)+v)/f);j=0;v=Math.abs(d-this.x2t)-1;d=Math.abs(d-this.x1t)-1;for(var t=f-1,x=w(t/2);--t>= -v&&!(t==x&&(a=b,0==a));){G+=l;c+=k;j+=e;j>f&&(G+=s,j-=y);if(0!=a&&t>10;zk&&(v=-v);k=w(((k<<10)+v)/j);f=0;v=Math.abs(t-this.y2t)-1;d=Math.abs(t-this.y1t)-1;t=j-1;for(x=w(t/2);--t>=v&&!(t==x&&(a=b,0==a));)G+=s,c+=k,f+=y,f>j&&(G+=l,f-=e),0!=a&&(t>10,zb&&(this.zb[a]=2147483647)},"~N,~N");c(c$,"addPixel",function(a,b,d){this.zb[a]=b;this.pb[a]=d},"~N,~N,~N");c(c$, -"addImagePixel",function(a,b,d,e,c,f){if(e=a&&(b=this.pb[d],0!=f&&(b=J.g3d.Graphics3D.mergeBufferPixel(b,f,f)),b=J.g3d.Graphics3D.mergeBufferPixel(b,c&16777215|a<<24,this.bgcolor),this.addPixel(d,e,b))}},"~N,~N,~N,~N,~N,~N")});r("J.g3d");x(["J.g3d.Pixelator"],"J.g3d.PixelatorT",["J.g3d.Graphics3D"],function(){c$=E(J.g3d,"PixelatorT",J.g3d.Pixelator);h(c$,"clearPixel",function(){},"~N,~N");h(c$,"addPixel",function(a, -b,d){var e=this.g.zbufT[a];if(bthis.g.zMargin)&&(this.pb[a]=J.g3d.Graphics3D.mergeBufferPixel(this.pb[a],c,this.g.bgcolor));this.g.zbufT[a]=b;this.g.pbufT[a]=d&this.g.translucencyMask}else b!=e&&!this.g.translucentCoverOnly&&b-e>this.g.zMargin&&(this.pb[a]=J.g3d.Graphics3D.mergeBufferPixel(this.pb[a],d&this.g.translucencyMask,this.g.bgcolor))},"~N,~N,~N")});r("J.g3d");x(["J.g3d.Pixelator"],"J.g3d.PixelatorShaded",null,function(){c$= -v(function(){this.tmp=this.bgRGB=null;this.zShadePower=this.zDepth=this.zSlab=0;s(this,arguments)},J.g3d,"PixelatorShaded",J.g3d.Pixelator);t(c$,function(a){H(this,J.g3d.PixelatorShaded,[a]);this.tmp=B(3,0)},"J.g3d.Graphics3D");c(c$,"set",function(a,b,d){this.bgcolor=this.g.bgcolor;this.bgRGB=B(-1,[this.bgcolor&255,this.bgcolor>>8&255,this.g.bgcolor>>16&255]);this.zSlab=0>a?0:a;this.zDepth=0>b?0:b;this.zShadePower=d;this.p0=this.g.pixel0;return this},"~N,~N,~N");h(c$,"addPixel",function(a,b,d){if(!(b> -this.zDepth)){if(b>=this.zSlab&&0>8;e[2]=d>>16;var f=(this.zDepth-b)/(this.zDepth-this.zSlab);if(1j;j++)e[j]=c[j]+C(f*((e[j]&255)-c[j]));d=e[2]<<16|e[1]<<8|e[0]|d&4278190080}this.p0.addPixel(a,b,d)}},"~N,~N,~N");c(c$,"showZBuffer",function(){for(var a=this.p0.zb.length;0<=--a;)if(0!=this.p0.pb[a]){var b=C(Math.min(255,Math.max(0,255*(this.zDepth-this.p0.zb[a])/(this.zDepth- -this.zSlab))));this.p0.pb[a]=4278190080|b|b<<8|b<<16}})});r("J.g3d");x(["J.g3d.Pixelator"],"J.g3d.PixelatorScreened",null,function(){c$=E(J.g3d,"PixelatorScreened",J.g3d.Pixelator);t(c$,function(a,b){H(this,J.g3d.PixelatorScreened,[a]);this.width=a.width;this.p0=b},"J.g3d.Graphics3D,J.g3d.Pixelator");h(c$,"addPixel",function(a,b,d){a%this.width%2==w(a/this.width)%2&&this.p0.addPixel(a,b,d)},"~N,~N,~N")});r("J.g3d");c$=v(function(){this.bufferSizeT=this.bufferSize=this.bufferHeight=this.bufferWidth= -this.windowSize=this.windowHeight=this.windowWidth=0;this.zBufferT=this.zBuffer=this.pBufferT=this.pBuffer=this.bufferedImage=null;this.heightOffscreen=this.widthOffscreen=0;this.apiPlatform=this.graphicsForTextOrImage=this.offscreenImage=null;s(this,arguments)},J.g3d,"Platform3D");t(c$,function(a){this.apiPlatform=a},"J.api.GenericPlatform");c(c$,"getGraphicsForMetrics",function(){return this.apiPlatform.getGraphics(this.allocateOffscreenImage(1,1))});c(c$,"allocateTBuffers",function(a){this.bufferSizeT= 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a=this.bufferSize;0<=--a;)if(2147483647!=this.zBuffer[a])return!0;return!1});c(c$,"clearScreenBuffer",function(){for(var a= -this.bufferSize;0<=--a;)this.zBuffer[a]=2147483647,this.pBuffer[a]=0});c(c$,"setBackgroundColor",function(a){if(null!=this.pBuffer)for(var b=this.bufferSize;0<=--b;)0==this.pBuffer[b]&&(this.pBuffer[b]=a)},"~N");c(c$,"clearTBuffer",function(){for(var a=this.bufferSizeT;0<=--a;)this.zBufferT[a]=2147483647,this.pBufferT[a]=0});c(c$,"clearBuffer",function(){this.clearScreenBuffer()});c(c$,"clearScreenBufferThreaded",function(){});c(c$,"notifyEndOfRendering",function(){this.apiPlatform.notifyEndOfRendering()}); 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-this.readerOrDocument.close():q(this.readerOrDocument,javajs.api.GenericBinaryDocument)&&this.readerOrDocument.close()}catch(c){if(!D(c,java.io.IOException))throw c;}}q(this.atomSetCollection,String)||(!this.isAppend&&!this.vwr.displayLoadErrors&&this.vwr.zap(!1,!0,!1),this.vwr.fm.setFileInfo(A(-1,[this.fullPathNameIn,this.fileNameIn,this.nameAsGivenIn])))});c$.getChangeableReader=c(c$,"getChangeableReader",function(a,b,d){return JU.Rdr.getBR(a.getLigandModel(b,d,"_file",null))},"JV.Viewer,~S,~S"); -c(c$,"getAtomSetCollection",function(){return this.atomSetCollection})});r("J.render");x(["J.render.ShapeRenderer"],"J.render.BallsRenderer",["J.shape.Shape"],function(){c$=E(J.render,"BallsRenderer",J.render.ShapeRenderer);h(c$,"render",function(){var a=!1;if(this.isExport||this.vwr.checkMotionRendering(1140850689))for(var b=this.ms.at,d=this.shape.colixes,e=this.vwr.shm.bsRenderableAtoms,c=e.nextSetBit(0);0<=c;c=e.nextSetBit(c+1)){var f=b[c];0d?this.g3d.drawDashedLineBits(8,4,a,b):this.g3d.fillCylinderBits(this.endcap,d,a,b);e&&null!=this.tickInfo&&(this.checkTickTemps(),this.tickAs.setT(a),this.tickBs.setT(b),this.drawTicks(d,!0))},"JU.P3,JU.P3,~N,~B");c(c$,"checkTickTemps", -function(){null==this.tickA&&(this.tickA=new JU.P3,this.tickB=new JU.P3,this.tickAs=new JU.P3,this.tickBs=new JU.P3)});c(c$,"drawTicks",function(a,b){Float.isNaN(this.tickInfo.first)&&(this.tickInfo.first=0);this.drawTicks2(this.tickInfo.ticks.x,8,a,!b?null:null==this.tickInfo.tickLabelFormats?A(-1,["%0.2f"]):this.tickInfo.tickLabelFormats);this.drawTicks2(this.tickInfo.ticks.y,4,a,null);this.drawTicks2(this.tickInfo.ticks.z,2,a,null)},"~N,~B");c(c$,"drawTicks2",function(a,b,d,e){if(0!=a&&(this.g3d.isAntialiased()&& -(b*=2),this.vectorT2.set(this.tickBs.x,this.tickBs.y,0),this.vectorT.set(this.tickAs.x,this.tickAs.y,0),this.vectorT2.sub(this.vectorT),!(50>this.vectorT2.length()))){var c=this.tickInfo.signFactor;this.vectorT.sub2(this.tickB,this.tickA);var f=this.vectorT.length();if(null!=this.tickInfo.scale)if(Float.isNaN(this.tickInfo.scale.x)){var j=this.vwr.getUnitCellInfo(0);Float.isNaN(j)||this.vectorT.set(this.vectorT.x/j,this.vectorT.y/this.vwr.getUnitCellInfo(1),this.vectorT.z/this.vwr.getUnitCellInfo(2))}else this.vectorT.set(this.vectorT.x* -this.tickInfo.scale.x,this.vectorT.y*this.tickInfo.scale.y,this.vectorT.z*this.tickInfo.scale.z);j=this.vectorT.length()+1E-4*a;if(!(jd&&(d=1);this.vectorT2.set(-this.vectorT2.y,this.vectorT2.x,0);this.vectorT2.scale(b/this.vectorT2.length());b= -this.tickInfo.reference;null==b?(this.pointT3.setT(this.vwr.getBoundBoxCenter()),603979809==this.vwr.g.axesMode&&this.pointT3.add3(1,1,1)):this.pointT3.setT(b);this.tm.transformPtScr(this.pointT3,this.pt2i);b=0.2>Math.abs(this.vectorT2.x/this.vectorT2.y);for(var n=!b,m=!b&&0>this.vectorT2.x,p=null!=e&&0=this.tickInfo.first&&(this.pointT2.setT(this.pointT),this.tm.transformPt3f(this.pointT2,this.pointT2),this.drawLine(w(Math.floor(this.pointT2.x)), -w(Math.floor(this.pointT2.y)),C(h),y=w(Math.floor(this.pointT2.x+this.vectorT2.x)),u=w(Math.floor(this.pointT2.y+this.vectorT2.y)),C(h),d),p&&(this.draw000||0!=k))){q[0]=Float.$valueOf(0==k?0:k*c);var s=JU.PT.sprintf(e[r%e.length],"f",q);this.drawString(y,u,C(h),4,m,b,n,w(Math.floor(this.pointT2.y)),s)}this.pointT.add(this.vectorT);k+=a;h+=f;r++}}}},"~N,~N,~N,~A");c(c$,"drawLine",function(a,b,d,e,c,f,j){return this.drawLine2(a,b,d,e,c,f,j)},"~N,~N,~N,~N,~N,~N,~N");c(c$,"drawLine2",function(a,b,d, -e,c,f,j){this.pt0.set(a,b,d);this.pt1.set(e,c,f);if(this.dotsOrDashes)null!=this.dashDots&&this.drawDashed(a,b,d,e,c,f,this.dashDots);else{if(0>j)return this.g3d.drawDashedLineBits(8,4,this.pt0,this.pt1),1;this.g3d.fillCylinderBits(2,j,this.pt0,this.pt1)}return w((j+1)/2)},"~N,~N,~N,~N,~N,~N,~N");c(c$,"drawString",function(a,b,d,e,c,f,j,k,h){if(null!=h){var n=this.font3d.stringWidth(h),m=this.font3d.getAscent();a=c?a-(w(e/2)+2+n):f?a-(w(e/2)+2+w(n/2)):a+(w(e/2)+2);c=b;c=j?c+w(m/2):0==k||kb&&(b=1);this.g3d.drawString(h,this.font3d,a,c,b,b,0)}},"~N,~N,~N,~N,~B,~B,~B,~N,~S");c(c$,"drawDashed",function(a,b,d,e,c,f,j){if(!(null==j||0>this.width)){var k=j[0];e-=a;c-=b;f-=d;var h=0,n=j===J.render.FontLineShapeRenderer.ndots,m=n||j===J.render.FontLineShapeRenderer.sixdots;if(m){var p=(e*e+c*c)/(this.width*this.width);n?(k=Math.sqrt(p)/1.5,h=C(k)+2):8>p?j=J.render.FontLineShapeRenderer.twodots:32>p&&(j=J.render.FontLineShapeRenderer.fourdots)}var p=j[1],y=j[2],u=this.colixA, -q=0==y?this.colixB:this.colixA;0==h&&(h=j.length);for(var r=0,s=3;s=this.holdRepaint&&(this.holdRepaint=0,a&&(this.repaintPending=!0,this.repaintNow(b)))},"~B,~S");h(c$,"requestRepaintAndWait",function(a){var b=null;JV.Viewer.isJS&&!JV.Viewer.isSwingJS&&(b=self.Jmol&&Jmol.repaint?Jmol:null);if(null==b)try{this.repaintNow(a),JV.Viewer.isJS||this.wait(this.vwr.g.repaintWaitMs), -this.repaintPending&&(JU.Logger.error("repaintManager requestRepaintAndWait timeout"),this.repaintDone())}catch(d){if(D(d,InterruptedException))System.out.println("repaintManager requestRepaintAndWait interrupted thread="+Thread.currentThread().getName());else throw d;}else b.repaint(this.vwr.html5Applet,!1),this.repaintDone()},"~S");h(c$,"repaintIfReady",function(a){if(this.repaintPending)return!1;this.repaintPending=!0;0==this.holdRepaint&&this.repaintNow(a);return!0},"~S");c(c$,"repaintNow",function(){this.vwr.haveDisplay&& -this.vwr.apiPlatform.repaint(this.vwr.display)},"~S");h(c$,"repaintDone",function(){this.repaintPending=!1});h(c$,"clear",function(a){if(null!=this.renderers)if(0<=a)this.renderers[a]=null;else for(a=0;37>a;++a)this.renderers[a]=null},"~N");c(c$,"getRenderer",function(a){if(null!=this.renderers[a])return this.renderers[a];var b=JV.JC.getShapeClassName(a,!0)+"Renderer";if(null==(b=J.api.Interface.getInterface(b,this.vwr,"render")))return null;b.setViewerG3dShapeID(this.vwr,a);return this.renderers[a]= -b},"~N");h(c$,"render",function(a,b,d,e){null==this.renderers&&(this.renderers=Array(37));this.getAllRenderers();try{var c=this.vwr.getBoolean(603979934);a.renderBackground(null);if(d){this.bsTranslucent.clearAll();null!=e&&a.renderCrossHairs(e,this.vwr.getScreenWidth(),this.vwr.getScreenHeight(),this.vwr.tm.getNavigationOffset(),this.vwr.tm.navigationDepthPercent);var f=this.vwr.getRubberBandSelection();null!=f&&a.setC(this.vwr.cm.colixRubberband)&&a.drawRect(f.x,f.y,0,0,f.width,f.height);this.vwr.noFrankEcho= -!0}e=null;for(f=0;37>f&&a.currentlyRendering;++f){var j=this.shapeManager.getShape(f);null!=j&&(c&&(e="rendering "+JV.JC.getShapeClassName(f,!1),JU.Logger.startTimer(e)),(d||this.bsTranslucent.get(f))&&this.getRenderer(f).renderShape(a,b,j)&&this.bsTranslucent.set(f),c&&JU.Logger.checkTimer(e,!1))}a.renderAllStrings(null)}catch(k){if(D(k,Exception)){k.printStackTrace();if(this.vwr.async&&"Interface".equals(k.getMessage()))throw new NullPointerException;JU.Logger.error("rendering error? "+k)}else throw k; -}},"JU.GData,JM.ModelSet,~B,~A");c(c$,"getAllRenderers",function(){for(var a=!0,b=0;37>b;++b)null==this.shapeManager.getShape(b)||null!=this.getRenderer(b)||(a=this.repaintPending=!this.vwr.async);if(!a)throw new NullPointerException;});h(c$,"renderExport",function(a,b,d){this.shapeManager.finalizeAtoms(null,!0);a=this.vwr.initializeExporter(d);if(null==a)return JU.Logger.error("Cannot export "+d.get("type")),null;null==this.renderers&&(this.renderers=Array(37));this.getAllRenderers();d=null;try{var e= -this.vwr.getBoolean(603979934);a.renderBackground(a);for(var c=0;37>c;++c){var f=this.shapeManager.getShape(c);null!=f&&(e&&(d="rendering "+JV.JC.getShapeClassName(c,!1),JU.Logger.startTimer(d)),this.getRenderer(c).renderShape(a,b,f),e&&JU.Logger.checkTimer(d,!1))}a.renderAllStrings(a);d=a.finalizeOutput()}catch(j){if(D(j,Exception))j.printStackTrace(),JU.Logger.error("rendering error? "+j);else throw j;}return d},"JU.GData,JM.ModelSet,java.util.Map")});r("J.render");x(null,"J.render.ShapeRenderer", -["JV.JC"],function(){c$=v(function(){this.shape=this.ms=this.g3d=this.tm=this.vwr=null;this.exportType=this.mad=this.colix=this.shapeID=this.myVisibilityFlag=0;this.isExport=!1;s(this,arguments)},J.render,"ShapeRenderer");c(c$,"initRenderer",function(){});c(c$,"setViewerG3dShapeID",function(a,b){this.vwr=a;this.tm=a.tm;this.shapeID=b;this.myVisibilityFlag=JV.JC.getShapeVisibilityFlag(b);this.initRenderer()},"JV.Viewer,~N");c(c$,"renderShape",function(a,b,d){this.setup(a,b,d);a=this.render();this.exportType= -0;this.isExport=!1;return a},"J.api.JmolRendererInterface,JM.ModelSet,J.shape.Shape");c(c$,"setup",function(a,b,d){this.g3d=a;this.ms=b;this.shape=d;this.exportType=a.getExportType();this.isExport=0!=this.exportType},"J.api.JmolRendererInterface,JM.ModelSet,J.shape.Shape");c(c$,"isVisibleForMe",function(a){return a.isVisible(this.myVisibilityFlag|9)},"JM.Atom")});r("J.render");x(["J.render.FontLineShapeRenderer","JU.BS","$.P3","$.V3"],"J.render.SticksRenderer","java.lang.Float JU.A4 $.M3 J.c.PAL JU.C $.Edge".split(" "), -function(){c$=v(function(){this.showMultipleBonds=!1;this.multipleBondRadiusFactor=this.multipleBondSpacing=0;this.useBananas=this.bondsPerp=!1;this.modeMultipleBond=0;this.isCartesian=!1;this.endcaps=0;this.hbondsSolid=this.bondsBackbone=this.hbondsBackbone=this.ssbondsBackbone=!1;this.bond=this.b=this.a=null;this.bondOrder=this.mag2d=this.dy=this.dx=this.zB=this.yB=this.xB=this.zA=this.yA=this.xA=0;this.slabByAtom=this.slabbing=this.isAntialiased=this.wireframeOnly=!1;this.bsForPass2=this.p2=this.p1= -this.z=this.y=this.x=null;this.isPass2=!1;this.dyStep=this.dxStep=this.yAxis2=this.xAxis2=this.yAxis1=this.xAxis1=this.rTheta=0;this.a4=this.rot=null;s(this,arguments)},J.render,"SticksRenderer",J.render.FontLineShapeRenderer);O(c$,function(){this.x=new JU.V3;this.y=new JU.V3;this.z=new JU.V3;this.p1=new JU.P3;this.p2=new JU.P3;this.bsForPass2=JU.BS.newN(64)});h(c$,"render",function(){var a=this.ms.bo;if(null==a)return!1;(this.isPass2=this.vwr.gdata.isPass2)||this.bsForPass2.clearAll();this.slabbing= -this.tm.slabEnabled;this.slabByAtom=this.vwr.getBoolean(603979939);this.endcaps=3;this.dashDots=this.vwr.getBoolean(603979893)?J.render.FontLineShapeRenderer.sixdots:J.render.FontLineShapeRenderer.dashes;this.isCartesian=1==this.exportType;this.getMultipleBondSettings(!1);this.wireframeOnly=!this.vwr.checkMotionRendering(1677721602);this.ssbondsBackbone=this.vwr.getBoolean(603979952);this.hbondsBackbone=this.vwr.getBoolean(603979852);this.bondsBackbone=(new Boolean(this.hbondsBackbone|this.ssbondsBackbone)).valueOf(); -this.hbondsSolid=this.vwr.getBoolean(603979854);this.isAntialiased=this.g3d.isAntialiased();var b=!1;if(this.isPass2){if(!this.isExport)for(var d=this.bsForPass2.nextSetBit(0);0<=d;d=this.bsForPass2.nextSetBit(d+1))this.bond=a[d],this.renderBond()}else for(d=this.ms.bondCount;0<=--d;)this.bond=a[d],0!=(this.bond.shapeVisibilityFlags&this.myVisibilityFlag)&&this.renderBond()&&(b=!0,this.bsForPass2.set(d));return b});c(c$,"getMultipleBondSettings",function(a){this.useBananas=this.vwr.getBoolean(603979886)&& -!a;this.multipleBondSpacing=a?0.15:this.vwr.getFloat(570425370);this.multipleBondRadiusFactor=a?0.4:this.vwr.getFloat(570425369);this.bondsPerp=this.useBananas||0this.multipleBondRadiusFactor;this.useBananas&&(this.multipleBondSpacing=0>this.multipleBondSpacing?0.4*-this.multipleBondSpacing:this.multipleBondSpacing);this.multipleBondRadiusFactor=Math.abs(this.multipleBondRadiusFactor);0==this.multipleBondSpacing&&this.isCartesian&&(this.multipleBondSpacing=0.2);this.modeMultipleBond= -this.vwr.g.modeMultipleBond;this.showMultipleBonds=0!=this.multipleBondSpacing&&0!=this.modeMultipleBond&&this.vwr.getBoolean(603979928)},"~B");c(c$,"renderBond",function(){var a,b;this.a=a=this.bond.atom1;this.b=b=this.bond.atom2;var d=this.bond.order&-131073;this.bondsBackbone&&(this.ssbondsBackbone&&0!=(d&256)?(this.a=this.a.group.getLeadAtomOr(this.a),this.b=this.b.group.getLeadAtomOr(this.b)):this.hbondsBackbone&&JU.Edge.isOrderH(d)&&(this.a=this.a.group.getLeadAtomOr(this.a),this.b=this.b.group.getLeadAtomOr(this.b))); -if(!this.isPass2&&(!this.a.isVisible(9)||!this.b.isVisible(9)||!this.g3d.isInDisplayRange(this.a.sX,this.a.sY)||!this.g3d.isInDisplayRange(this.b.sX,this.b.sY)))return!1;if(this.slabbing){var e=this.vwr.gdata.isClippedZ(this.a.sZ);if(e&&this.vwr.gdata.isClippedZ(this.b.sZ)||this.slabByAtom&&(e||this.vwr.gdata.isClippedZ(this.b.sZ)))return!1}this.zA=this.a.sZ;this.zB=this.b.sZ;if(1==this.zA||1==this.zB)return!1;this.colixA=a.colixAtom;this.colixB=b.colixAtom;2==((this.colix=this.bond.colix)&-30721)? -(this.colix&=30720,this.colixA=JU.C.getColixInherited(this.colix|this.vwr.cm.getColixAtomPalette(a,J.c.PAL.CPK.id),this.colixA),this.colixB=JU.C.getColixInherited(this.colix|this.vwr.cm.getColixAtomPalette(b,J.c.PAL.CPK.id),this.colixB)):(this.colixA=JU.C.getColixInherited(this.colix,this.colixA),this.colixB=JU.C.getColixInherited(this.colix,this.colixB));a=!1;if(!this.isExport&&!this.isPass2&&(b=!JU.C.renderPass2(this.colixA),e=!JU.C.renderPass2(this.colixB),!b||!e)){if(!b&&!e&&!a)return this.g3d.setC(!b? -this.colixA:this.colixB),!0;a=!0}this.bondOrder=d&-131073;if(0==(this.bondOrder&224)&&(0!=(this.bondOrder&256)&&(this.bondOrder&=-257),0!=(this.bondOrder&1023)&&(!this.showMultipleBonds||2==this.modeMultipleBond&&500=this.width)&&this.isAntialiased)this.width=3,this.asLineOnly=!1;switch(b){case -2:this.drawBond(0);this.getMultipleBondSettings(!1);break;case -1:this.drawDashed(this.xA,this.yA,this.zA,this.xB,this.yB,this.zB,J.render.FontLineShapeRenderer.hDashes);break;default:switch(this.bondOrder){case 4:this.bondOrder= -2;d=this.multipleBondRadiusFactor;0==d&&1d&&(this.multipleBondSpacing=0.3);this.drawBond(b);this.bondsPerp=!this.bondsPerp;this.bondOrder=2;this.drawBond(b>>2);this.bondsPerp=!this.bondsPerp;this.multipleBondSpacing=d;break;case 5:this.bondOrder=3;d=this.multipleBondRadiusFactor;0==d&&1d&&(this.multipleBondSpacing=0.2);this.drawBond(b);this.bondsPerp=!this.bondsPerp; -this.bondOrder=2;this.multipleBondSpacing*=1.5;this.drawBond(b>>3);this.bondsPerp=!this.bondsPerp;this.multipleBondSpacing=d;break;case 6:this.bondOrder=4;d=this.multipleBondRadiusFactor;0==d&&1d&&(this.multipleBondSpacing=0.15);this.drawBond(b);this.bondsPerp=!this.bondsPerp;this.bondOrder=2;this.multipleBondSpacing*=1.5;this.drawBond(b>>4);this.bondsPerp=!this.bondsPerp;this.multipleBondSpacing=d;break;default:this.drawBond(b)}}return a}); -c(c$,"drawBond",function(a){var b=0!=(a&1);if(this.isCartesian&&1==this.bondOrder&&!b)this.g3d.drawBond(this.a,this.b,this.colixA,this.colixB,this.endcaps,this.mad,-1);else{var d=0==this.dx&&0==this.dy;if(!d||!this.asLineOnly||this.isCartesian){var e=1>=1;b=0!=(a&1);if(0>=--this.bondOrder)break;this.p1.add(this.y);this.p2.add(this.y);this.stepAxisCoordinates()}}else if(this.mag2d=Math.round(Math.sqrt(this.dx*this.dx+this.dy*this.dy)),this.resetAxisCoordinates(),this.isCartesian&&3==this.bondOrder)this.fillCylinder(this.colixA,this.colixB,this.endcaps,this.width,this.xAxis1,this.yAxis1,this.zA,this.xAxis2,this.yAxis2,this.zB),this.stepAxisCoordinates(),this.x.sub2(this.b, -this.a),this.x.scale(0.05),this.p1.sub2(this.a,this.x),this.p2.add2(this.b,this.x),this.g3d.drawBond(this.p1,this.p2,this.colixA,this.colixB,this.endcaps,this.mad,-2),this.stepAxisCoordinates(),this.fillCylinder(this.colixA,this.colixB,this.endcaps,this.width,this.xAxis1,this.yAxis1,this.zA,this.xAxis2,this.yAxis2,this.zB);else for(;;){0!=(a&1)?this.drawDashed(this.xAxis1,this.yAxis1,this.zA,this.xAxis2,this.yAxis2,this.zB,this.dashDots):this.fillCylinder(this.colixA,this.colixB,this.endcaps,this.width, -this.xAxis1,this.yAxis1,this.zA,this.xAxis2,this.yAxis2,this.zB);a>>=1;if(0>=--this.bondOrder)break;this.stepAxisCoordinates()}}}},"~N");c(c$,"resetAxisCoordinates",function(){var a=this.mag2d>>3;-1!=this.multipleBondSpacing&&0>this.multipleBondSpacing&&(a*=-this.multipleBondSpacing);a=this.width+a;this.dxStep=w(a*this.dy/this.mag2d);this.dyStep=w(a*-this.dx/this.mag2d);this.xAxis1=this.xA;this.yAxis1=this.yA;this.xAxis2=this.xB;this.yAxis2=this.yB;a=this.bondOrder-1;this.xAxis1-=w(this.dxStep*a/ -2);this.yAxis1-=w(this.dyStep*a/2);this.xAxis2-=w(this.dxStep*a/2);this.yAxis2-=w(this.dyStep*a/2)});c(c$,"stepAxisCoordinates",function(){this.xAxis1+=this.dxStep;this.yAxis1+=this.dyStep;this.xAxis2+=this.dxStep;this.yAxis2+=this.dyStep});c(c$,"getAromaticDottedBondMask",function(){var a=this.b.findAromaticNeighbor(this.a.i);return 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J.bspt.Node(this.bspt,a,this)).addTuple(a,b)},"~N,JU.T3")});m("J.bspt");x(["J.bspt.Element"],"J.bspt.Node",["java.lang.NullPointerException", +"J.bspt.Leaf"],function(){c$=u(function(){this.maxLeft=this.minLeft=this.dim=0;this.eleLeft=null;this.maxRight=this.minRight=0;this.eleRight=null;t(this,arguments)},J.bspt,"Node",J.bspt.Element);p(c$,function(a,b,d){this.bspt=a;b==a.treeDepth&&(a.treeDepth=b+1);if(2!=d.count)throw new NullPointerException;this.dim=b%a.dimMax;d.sort(this.dim);a=new J.bspt.Leaf(a,d,1);this.minLeft=J.bspt.Node.getDimensionValue(d.tuples[0],this.dim);this.maxLeft=J.bspt.Node.getDimensionValue(d.tuples[d.count-1],this.dim); +this.minRight=J.bspt.Node.getDimensionValue(a.tuples[0],this.dim);this.maxRight=J.bspt.Node.getDimensionValue(a.tuples[a.count-1],this.dim);this.eleLeft=d;this.eleRight=a;this.count=2},"J.bspt.Bspt,~N,J.bspt.Leaf");c(c$,"addTuple",function(a,b){var d=J.bspt.Node.getDimensionValue(b,this.dim);++this.count;dthis.minRight?0:d==this.maxLeft?d==this.minRight?this.eleLeft.countthis.maxLeft&&(this.maxLeft=d),this.eleLeft=this.eleLeft.addTuple(a+1,b)):(dthis.maxRight&&(this.maxRight=d),this.eleRight=this.eleRight.addTuple(a+1,b));return this},"~N,JU.T3");c$.getDimensionValue=c(c$,"getDimensionValue",function(a,b){null==a&&System.out.println("bspt.Node ???");switch(b){case 0:return a.x;case 1:return a.y;default:return a.z}},"JU.T3,~N")});m("J.c");x(["java.lang.Enum"],"J.c.CBK",["JU.SB"],function(){c$=E(J.c,"CBK",Enum);c$.getCallback=c(c$, +"getCallback",function(a){a=a.toUpperCase();a=a.substring(0,Math.max(a.indexOf("CALLBACK"),0));for(var b,d=0,f=J.c.CBK.values();da.indexOf("_"))for(var b,d=0,f=J.c.PAL.values();da.indexOf("_"))for(var b,d=0,f=J.c.PAL.values();d< +f.length&&((b=f[d])||1);d++)if(a.equalsIgnoreCase(b.$$name))return b.id;return 0==a.indexOf("property_")?J.c.PAL.PROPERTY.id:J.c.PAL.UNKNOWN.id},"~S");c$.getPaletteName=c(c$,"getPaletteName",function(a){for(var b,d=0,f=J.c.PAL.values();dthis.id?"":a&&this.isProtein()?"protein": +this.name()},"~B");c(c$,"isProtein",function(){return 0<=this.id&&3>=this.id||7<=this.id});z(c$,"NOT",0,[-1,4286611584]);z(c$,"NONE",1,[0,4294967295]);z(c$,"TURN",2,[1,4284514559]);z(c$,"SHEET",3,[2,4294952960]);z(c$,"HELIX",4,[3,4294901888]);z(c$,"DNA",5,[4,4289593598]);z(c$,"RNA",6,[5,4294771042]);z(c$,"CARBOHYDRATE",7,[6,4289111802]);z(c$,"HELIX310",8,[7,4288675968]);z(c$,"HELIXALPHA",9,[8,4294901888]);z(c$,"HELIXPI",10,[9,4284481664]);z(c$,"ANNOTATION",11,[-2,0])});m("J.c");x(["java.lang.Enum"], +"J.c.VDW",null,function(){c$=u(function(){this.pt=0;this.type2=this.type=null;t(this,arguments)},J.c,"VDW",Enum);p(c$,function(a,b,d){this.pt=a;this.type=b;this.type2=d},"~N,~S,~S");c(c$,"getVdwLabel",function(){return null==this.type?this.type2:this.type});c$.getVdwType=c(c$,"getVdwType",function(a){if(null!=a)for(var b,d=0,f=J.c.VDW.values();d=c)this.line3d.plotLineDeltaOld(B.getColorArgbOrGray(a), +B.getColorArgbOrGray(b),e,j,k,this.dxB,this.dyB,this.dzB,this.clipped);else{l=0==d&&(this.clipped||2==f||0==f);this.diameter=c;this.xA=e;this.yA=j;this.zA=k;this.endcaps=f;this.shadesA=B.getShades(this.colixA=a);this.shadesB=B.getShades(this.colixB=b);this.calcArgbEndcap(!0,!1);this.calcCosSin(this.dxB,this.dyB,this.dzB);this.calcPoints(3,!1);this.interpolate(0,1,this.xyzfRaster,this.xyztRaster);this.interpolate(1,2,this.xyzfRaster,this.xyztRaster);k=this.xyzfRaster;2==f&&this.renderFlatEndcap(!0, +!1,k);B.setZMargin(5);a=B.width;b=B.zbuf;c=k[0];e=k[1];j=k[2];k=k[3];h=B.pixel;for(n=this.rasterCount;0<=--n;)y=k[n]>>8,F=y>>1,I=c[n],q=e[n],m=j[n],this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(B.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+I,this.yEndcap+q,this.zEndcap-m-1,a,b,h),B.plotPixelClippedArgb(this.argbEndcap,this.xEndcap-I,this.yEndcap-q,this.zEndcap+m-1,a,b,h)):(B.plotPixelUnclipped(this.argbEndcap,this.xEndcap+I,this.yEndcap+q,this.zEndcap-m-1,a,b,h),B.plotPixelUnclipped(this.argbEndcap, +this.xEndcap-I,this.yEndcap-q,this.zEndcap+m-1,a,b,h))),this.line3d.plotLineDeltaAOld(this.shadesA,this.shadesB,d,y,this.xA+I,this.yA+q,this.zA-m,this.dxB,this.dyB,this.dzB,this.clipped),l&&this.line3d.plotLineDeltaOld(this.shadesA[F],this.shadesB[F],this.xA-I,this.yA-q,this.zA+m,this.dxB,this.dyB,this.dzB,this.clipped);B.setZMargin(0);3==f&&this.renderSphericalEndcaps()}},"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"renderBitsFloat",function(a,b,d,f,c,e,j){var k=this.g3d;null==this.ptA0&&(this.ptA0= +new JU.P3,this.ptB0=new JU.P3);this.ptA0.setT(e);var l=w(c/2)+1,h=Math.round(e.x),n=Math.round(e.y),q=Math.round(e.z),B=Math.round(j.x),y=Math.round(j.y),F=Math.round(j.z),I=k.clipCode3(h-l,n-l,q-l),h=k.clipCode3(h+l,n+l,q+l),n=k.clipCode3(B-l,y-l,F-l),l=k.clipCode3(B+l,y+l,F+l),B=I|h|n|l;this.clipped=0!=B;if(!(-1==B||0!=(I&l&h&n))){this.dxBf=j.x-e.x;this.dyBf=j.y-e.y;this.dzBf=j.z-e.z;0>8,h=F>>1,n=j[y], +q=I[y],m=l[y];this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+n,this.yEndcap+q,this.zEndcap-m-1,a,b,c),k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap-n,this.yEndcap-q,this.zEndcap+m-1,a,b,c)):(k.plotPixelUnclipped(this.argbEndcap,this.xEndcap+n,this.yEndcap+q,this.zEndcap-m-1,a,b,c),k.plotPixelUnclipped(this.argbEndcap,this.xEndcap-n,this.yEndcap-q,this.zEndcap+m-1,a,b,c)));this.ptA0.set(this.xA+n,this.yA+q,this.zA-m);this.ptB0.setT(this.ptA0); +this.ptB0.x+=this.dxB;this.ptB0.y+=this.dyB;this.ptB0.z+=this.dzB;this.line3d.plotLineDeltaABitsFloat(this.shadesA,this.shadesB,F,this.ptA0,this.ptB0,d,this.clipped);e&&(this.ptA0.set(this.xA-n,this.yA-q,this.zA+m),this.ptB0.setT(this.ptA0),this.ptB0.x+=this.dxB,this.ptB0.y+=this.dyB,this.ptB0.z+=this.dzB,this.line3d.plotLineDeltaABitsFloat(this.shadesA,this.shadesB,h,this.ptA0,this.ptB0,d,this.clipped))}k.setZMargin(0);3==f&&this.renderSphericalEndcaps();this.xAf+=this.dxBf;this.yAf+=this.dyBf;this.zAf+= +this.dzBf}},"~N,~N,~N,~N,~N,JU.P3,JU.P3");c(c$,"renderBits",function(a,b,d,f,c,e,j){var k=this.g3d;if(0==c||1==c)this.line3d.plotLineBits(k.getColorArgbOrGray(a),k.getColorArgbOrGray(b),e,j,0,0,!1);else{this.ptA0i.setT(e);var l=w(c/2)+1,h=e.x,n=e.y,q=e.z,B=j.x,y=j.y,F=j.z,I=k.clipCode3(h-l,n-l,q-l),h=k.clipCode3(h+l,n+l,q+l),n=k.clipCode3(B-l,y-l,F-l),l=k.clipCode3(B+l,y+l,F+l),B=I|h|n|l;this.clipped=0!=B;if(!(-1==B||0!=(I&l&h&n))){this.dxBf=j.x-e.x;this.dyBf=j.y-e.y;this.dzBf=j.z-e.z;0>8,h=F>>1,n=j[y],q=I[y],m=l[y];this.endCapHidden&&0!=this.argbEndcap&&(this.clipped?(k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap+n,this.yEndcap+q,this.zEndcap-m-1,a,b,c),k.plotPixelClippedArgb(this.argbEndcap,this.xEndcap-n,this.yEndcap-q,this.zEndcap+m-1,a,b,c)):(k.plotPixelUnclipped(this.argbEndcap,this.xEndcap+n,this.yEndcap+q,this.zEndcap-m-1,a,b,c),k.plotPixelUnclipped(this.argbEndcap,this.xEndcap-n,this.yEndcap- +q,this.zEndcap+m-1,a,b,c)));this.ptA0i.set(this.xA+n,this.yA+q,this.zA-m);this.ptB0i.setT(this.ptA0i);this.ptB0i.x+=this.dxB;this.ptB0i.y+=this.dyB;this.ptB0i.z+=this.dzB;this.line3d.plotLineDeltaABitsInt(this.shadesA,this.shadesB,F,this.ptA0i,this.ptB0i,d,this.clipped);e&&(this.ptA0i.set(this.xA-n,this.yA-q,this.zA+m),this.ptB0i.setT(this.ptA0i),this.ptB0i.x+=this.dxB,this.ptB0i.y+=this.dyB,this.ptB0i.z+=this.dzB,this.line3d.plotLineDeltaABitsInt(this.shadesA,this.shadesB,h,this.ptA0i,this.ptB0i, +d,this.clipped))}k.setZMargin(0);3==f&&this.renderSphericalEndcaps();this.xAf+=this.dxBf;this.yAf+=this.dyBf;this.zAf+=this.dzBf}}},"~N,~N,~N,~N,~N,JU.P3i,JU.P3i");c(c$,"renderConeOld",function(a,b,d,f,c,e,j,k,l,h,n){this.dxBf=j-(this.xAf=f);this.dyBf=k-(this.yAf=c);this.dzBf=l-(this.zAf=e);this.xA=w(Math.floor(this.xAf));this.yA=w(Math.floor(this.yAf));this.zA=w(Math.floor(this.zAf));this.dxB=w(Math.floor(this.dxBf));this.dyB=w(Math.floor(this.dyBf));this.dzB=w(Math.floor(this.dzBf));this.xTip=j; +this.yTip=k;this.zTip=l;this.shadesA=this.g3d.getShades(this.colixA=a);var q=this.shader.getShadeIndex(this.dxB,this.dyB,-this.dzB);a=this.g3d;f=a.pixel;c=a.width;e=a.zbuf;a.plotPixelClippedArgb(this.shadesA[q],C(j),C(k),C(l),c,e,f);this.diameter=d;if(1>=d)1==d&&this.line3d.plotLineDeltaOld(this.colixA,this.colixA,this.xA,this.yA,this.zA,this.dxB,this.dyB,this.dzB,this.clipped);else{this.endcaps=b;this.calcArgbEndcap(!1,!0);this.generateBaseEllipsePrecisely(n);!n&&2==this.endcaps&&this.renderFlatEndcap(!1, +!0,this.xyzfRaster);a.setZMargin(5);b=this.xyztRaster[0];d=this.xyztRaster[1];j=this.xyztRaster[2];k=this.xyzfRaster[3];l=this.shadesA;for(var q=this.endCapHidden&&0!=this.argbEndcap,B=this.rasterCount;0<=--B;){var y=b[B],F=d[B],I=j[B],m=k[B]>>8,s=this.xAf+y,p=this.yAf+F,t=this.zAf-I,y=this.xAf-y,F=this.yAf-F,I=this.zAf+I,u=l[0];q&&(a.plotPixelClippedArgb(this.argbEndcap,C(s),C(p),C(t),c,e,f),a.plotPixelClippedArgb(this.argbEndcap,C(y),C(F),C(I),c,e,f));0!=u&&(this.line3d.plotLineDeltaAOld(l,l,0, +m,C(s),C(p),C(t),w(Math.ceil(this.xTip-s)),w(Math.ceil(this.yTip-p)),w(Math.ceil(this.zTip-t)),!0),h&&(this.line3d.plotLineDeltaAOld(l,l,0,m,C(s),C(p)+1,C(t),w(Math.ceil(this.xTip-s)),w(Math.ceil(this.yTip-p))+1,w(Math.ceil(this.zTip-t)),!0),this.line3d.plotLineDeltaAOld(l,l,0,m,C(s)+1,C(p),C(t),w(Math.ceil(this.xTip-s))+1,w(Math.ceil(this.yTip-p)),w(Math.ceil(this.zTip-t)),!0)),!n&&!(2!=this.endcaps&&0=b[0].length)for(;this.rasterCount>=b[0].length;){for(var f=4;0<=--f;)b[f]=JU.AU.doubleLengthI(b[f]);d[3]= +JU.AU.doubleLengthF(d[3])}if(a)for(;this.rasterCount>=d[0].length;)for(f=3;0<=--f;)d[f]=JU.AU.doubleLengthF(d[f]);return this.rasterCount++},"~B,~A,~A");c(c$,"interpolate",function(a,b,d,f){var c=d[0],e=d[1],c=c[b]-c[a];0>c&&(c=-c);e=e[b]-e[a];0>e&&(e=-e);if(!(1>=c+e)){for(var j=this.allocRaster(!1,d,f),c=d[0],e=d[1],k=d[3],l=f[3][a],h=f[3][b],n=4;0<=--n;){var q=(l+h)/2;this.calcRotatedPoint(q,j,!1,d,f);if(c[j]==c[a]&&e[j]==e[a])k[a]=k[a]+k[j]>>>1,l=q;else if(c[j]==c[b]&&e[j]==e[b])k[b]=k[b]+k[j]>>> +1,h=q;else{this.interpolate(a,j,d,f);this.interpolate(j,b,d,f);return}}c[j]=c[a];e[j]=e[b]}},"~N,~N,~A,~A");c(c$,"interpolatePrecisely",function(a,b,d,f){var c=f[0],e=f[1],j=w(Math.floor(c[b]))-w(Math.floor(c[a]));0>j&&(j=-j);e=w(Math.floor(e[b]))-w(Math.floor(e[a]));0>e&&(e=-e);if(!(1>=j+e)){for(var e=f[3],j=e[a],k=e[b],l=this.allocRaster(!0,d,f),c=f[0],e=f[1],h=d[3],n=4;0<=--n;){var q=(j+k)/2;this.calcRotatedPoint(q,l,!0,d,f);if(w(Math.floor(c[l]))==w(Math.floor(c[a]))&&w(Math.floor(e[l]))==w(Math.floor(e[a])))h[a]= +h[a]+h[l]>>>1,j=q;else if(w(Math.floor(c[l]))==w(Math.floor(c[b]))&&w(Math.floor(e[l]))==w(Math.floor(e[b])))h[b]=h[b]+h[l]>>>1,k=q;else{this.interpolatePrecisely(a,l,d,f);this.interpolatePrecisely(l,b,d,f);return}}c[l]=c[a];e[l]=e[b]}},"~N,~N,~A,~A");c(c$,"renderFlatEndcap",function(a,b,d){var f,c;if(b){if(0==this.dzBf||!this.g3d.setC(this.colixEndcap))return;b=this.xAf;f=this.yAf;c=this.zAf;a&&0>this.dzBf&&(b+=this.dxBf,f+=this.dyBf,c+=this.dzBf);b=C(b);f=C(f);c=C(c)}else{if(0==this.dzB||!this.g3d.setC(this.colixEndcap))return; +b=this.xA;f=this.yA;c=this.zA;a&&0>this.dzB&&(b+=this.dxB,f+=this.dyB,c+=this.dzB)}var e=d[1][0];a=d[1][0];var j=0,k=0,l=d[0],h=d[1];d=d[2];for(var n=this.rasterCount;0<--n;){var q=h[n];qa?a=q:(q=-q,qa&&(a=q))}for(q=e;q<=a;++q){for(var e=2147483647,B=-2147483648,n=this.rasterCount;0<=--n;){if(h[n]==q){var y=l[n];yB&&(B=y,k=d[n])}h[n]==-q&&(y=-l[n],yB&&(B=y,k=-d[n]))}n=B-e+1;this.g3d.setColorNoisy(this.endcapShadeIndex);this.g3d.plotPixelsClippedRaster(n, +b+e,f+q,c-j-1,c-k-1,null,null)}},"~B,~B,~A");c(c$,"renderSphericalEndcaps",function(){0!=this.colixA&&this.g3d.setC(this.colixA)&&this.g3d.fillSphereXYZ(this.diameter,this.xA,this.yA,this.zA+1);0!=this.colixB&&this.g3d.setC(this.colixB)&&this.g3d.fillSphereXYZ(this.diameter,this.xA+this.dxB,this.yA+this.dyB,this.zA+this.dzB+1)});c(c$,"calcArgbEndcap",function(a,b){this.tEvenDiameter=0==(this.diameter&1);this.radius=this.diameter/2;this.radius2=this.radius*this.radius;this.endCapHidden=!1;var d=b? +this.dzBf:this.dzB;if(!(3==this.endcaps||0==d)){this.xEndcap=this.xA;this.yEndcap=this.yA;this.zEndcap=this.zA;var f=b?this.dxBf:this.dxB,c=b?this.dyBf:this.dyB;0<=d||!a?(this.endcapShadeIndex=this.shader.getShadeIndex(-f,-c,d),this.colixEndcap=this.colixA,d=this.shadesA):(this.endcapShadeIndex=this.shader.getShadeIndex(f,c,-d),this.colixEndcap=this.colixB,d=this.shadesB,this.xEndcap+=this.dxB,this.yEndcap+=this.dyB,this.zEndcap+=this.dzB);56>24&15){case 0:d=f;a=c;break;case 1:d=(f<<2)+(f<<1)+f+d>>3&16711935;a=(c<<2)+ +(c<<1)+c+a>>3&65280;break;case 2:d=(f<<1)+f+d>>2&16711935;a=(c<<1)+c+a>>2&65280;break;case 3:d=(f<<2)+f+(d<<1)+d>>3&16711935;a=(c<<2)+c+(a<<1)+a>>3&65280;break;case 4:d=d+f>>1&16711935;a=a+c>>1&65280;break;case 5:d=(f<<1)+f+(d<<2)+d>>3&16711935;a=(c<< +1)+c+(a<<2)+a>>3&65280;break;case 6:d=(d<<1)+d+f>>2&16711935;a=(a<<1)+a+c>>2&65280;break;case 7:d=(d<<2)+(d<<1)+d+f>>3&16711935,a=(a<<2)+(a<<1)+a+c>>3&65280}return 4278190080|d|a},"~N,~N,~N");h(c$,"getScreenImage",function(a){var b=this.platform.bufferedImage;a&&this.releaseBuffers();return b},"~B");h(c$,"applyAnaglygh",function(a,b){switch(a){case J.c.STER.REDCYAN:for(var d=this.anaglyphLength;0<=--d;){var f=this.anaglyphChannelBytes[d]&255;this.pbuf[d]=this.pbuf[d]&4294901760|f<<8|f}break;case J.c.STER.CUSTOM:for(var f= +b[0],c=b[1]&16777215,d=this.anaglyphLength;0<=--d;){var e=this.anaglyphChannelBytes[d]&255,e=(e|(e|e<<8)<<8)&c;this.pbuf[d]=this.pbuf[d]&f|e}break;case J.c.STER.REDBLUE:for(d=this.anaglyphLength;0<=--d;)f=this.anaglyphChannelBytes[d]&255,this.pbuf[d]=this.pbuf[d]&4294901760|f;break;case J.c.STER.REDGREEN:for(d=this.anaglyphLength;0<=--d;)this.pbuf[d]=this.pbuf[d]&4294901760|(this.anaglyphChannelBytes[d]&255)<<8}},"J.c.STER,~A");h(c$,"snapshotAnaglyphChannelBytes",function(){if(this.currentlyRendering)throw new NullPointerException; +this.anaglyphLength=this.windowWidth*this.windowHeight;if(null==this.anaglyphChannelBytes||this.anaglyphChannelBytes.length!=this.anaglyphLength)this.anaglyphChannelBytes=P(this.anaglyphLength,0);for(var a=this.anaglyphLength;0<=--a;)this.anaglyphChannelBytes[a]=this.pbuf[a]});h(c$,"releaseScreenImage",function(){this.platform.clearScreenBufferThreaded()});h(c$,"haveTranslucentObjects",function(){return this.$haveTranslucentObjects});h(c$,"setSlabAndZShade",function(a,b,d,f,c){this.setSlab(a);this.setDepth(b); +d>2&1061109567)<<2,j=j+((j&3233857728)>>6),k=0,l=0,e=d;0<=--e;l+=c)for(d=b;0<=--d;++k){var h=(a[l]>>2&1061109567)+(a[l++ +c]>>2&1061109567)+(a[l]>>2&1061109567)+(a[l++ +c]>>2&1061109567),h=h+((h&3233857728)>>6);h==j&&(h=f);a[k]=h&16777215|4278190080}},"~A,~N,~N,~N");c$.downsample2dZ=c(c$,"downsample2dZ",function(a,b,d,f,c){for(var e=d<<1,j=0,k=0;0<=--f;k+=e)for(var l=d;0<= +--l;++j,++k){var h=Math.min(b[k],b[k+e]),h=Math.min(h,b[++k]),h=Math.min(h,b[k+e]);2147483647!=h&&(h>>=1);b[j]=a[j]==c?2147483647:h}},"~A,~A,~N,~N,~N");c(c$,"hasContent",function(){return this.platform.hasContent()});h(c$,"setC",function(a){var b=JU.C.isColixLastAvailable(a);if(!b&&a==this.colixCurrent&&-1==this.currentShadeIndex)return!0;var d=a&30720;if(16384==d)return!1;this.renderLow&&(d=0);var f=0!=d,c=f&&30720==d;this.setScreened(c);if(!this.checkTranslucent(f&&!c))return!1;this.isPass2?(this.translucencyMask= +d<<13|16777215,this.translucencyLog=d>>11):this.translucencyLog=0;this.colixCurrent=a;b&&this.argbCurrent!=this.lastRawColor&&(0==this.argbCurrent&&(this.argbCurrent=4294967295),this.lastRawColor=this.argbCurrent,this.shader.setLastColix(this.argbCurrent,this.inGreyscaleMode));this.shadesCurrent=this.getShades(a);this.currentShadeIndex=-1;this.setColor(this.getColorArgbOrGray(a));return!0},"~N");c(c$,"setScreened",function(a){this.wasScreened!=a&&((this.wasScreened=a)?(null==this.pixelScreened&&(this.pixelScreened= +new J.g3d.PixelatorScreened(this,this.pixel0)),null==this.pixel.p0?this.pixel=this.pixelScreened:this.pixel.p0=this.pixelScreened):null==this.pixel.p0||this.pixel===this.pixelScreened?this.pixel=this.isPass2?this.pixelT0:this.pixel0:this.pixel.p0=this.isPass2?this.pixelT0:this.pixel0);return this.pixel},"~B");h(c$,"drawFilledCircle",function(a,b,d,f,c,e){if(!this.isClippedZ(e)){var j=w((d+1)/2),j=f=this.width||c=this.height;if(!j||!this.isClippedXY(d,f,c))0!=a&&this.setC(a)&&(j?this.isClippedXY(d, +f,c)||this.circle3d.plotCircleCenteredClipped(f,c,e,d):this.circle3d.plotCircleCenteredUnclipped(f,c,e,d)),0!=b&&this.setC(b)&&(j?this.circle3d.plotFilledCircleCenteredClipped(f,c,e,d):this.circle3d.plotFilledCircleCenteredUnclipped(f,c,e,d))}},"~N,~N,~N,~N,~N,~N");h(c$,"volumeRender4",function(a,b,d,f){if(1==a)this.plotPixelClippedArgb(this.argbCurrent,b,d,f,this.width,this.zbuf,this.pixel);else if(!this.isClippedZ(f)){var c=w((a+1)/2),c=b=this.width||d=this.height;if(!c||!this.isClippedXY(a, +b,d))c?this.circle3d.plotFilledCircleCenteredClipped(b,d,f,a):this.circle3d.plotFilledCircleCenteredUnclipped(b,d,f,a)}},"~N,~N,~N,~N");h(c$,"fillSphereXYZ",function(a,b,d,f){switch(a){case 1:this.plotPixelClippedArgb(this.argbCurrent,b,d,f,this.width,this.zbuf,this.pixel);return;case 0:return}a<=(this.antialiasThisFrame?2E3:1E3)&&this.sphere3d.render(this.shadesCurrent,a,b,d,f,null,null,null,-1,null)},"~N,~N,~N,~N");h(c$,"volumeRender",function(a){a?(this.saveAmbient=this.getAmbientPercent(),this.saveDiffuse= +this.getDiffusePercent(),this.setAmbientPercent(100),this.setDiffusePercent(0),this.addRenderer(1073741880)):(this.setAmbientPercent(this.saveAmbient),this.setDiffusePercent(this.saveDiffuse))},"~B");h(c$,"fillSphereI",function(a,b){this.fillSphereXYZ(a,b.x,b.y,b.z)},"~N,JU.P3i");h(c$,"fillSphereBits",function(a,b){this.fillSphereXYZ(a,Math.round(b.x),Math.round(b.y),Math.round(b.z))},"~N,JU.P3");h(c$,"fillEllipsoid",function(a,b,d,f,c,e,j,k,l,h,n){switch(e){case 1:this.plotPixelClippedArgb(this.argbCurrent, +d,f,c,this.width,this.zbuf,this.pixel);return;case 0:return}e<=(this.antialiasThisFrame?2E3:1E3)&&this.sphere3d.render(this.shadesCurrent,e,d,f,c,j,k,l,h,n)},"JU.P3,~A,~N,~N,~N,~N,JU.M3,~A,JU.M4,~N,~A");h(c$,"drawRect",function(a,b,d,f,c,e){if(!(0!=f&&this.isClippedZ(f))){f=c-1;e-=1;c=a+f;var j=b+e;0<=b&&bf&&(a+=f,f=-f);0>a&&(f+=a,a=0);a+f>=this.width&&(f=this.width-1-a);var c=this.pixel,e=this.argbCurrent;a+=this.width*b;for(b=0;b<=f;b++)df&&(b+=f,f=-f);0>b&&(f+=b,b=0);b+f>=this.height&&(f=this.height-1-b);a+=this.width*b;b=this.pixel;for(var c=this.argbCurrent,e=0;e<=f;e++)da){c+=a;if(0>=c)return;a=0}if(a+c>f&&(c=f-a,0>=c))return;if(0>b){e+=b;if(0>=e)return;b=0}b+e>this.height&&(e=this.height-b);for(var j=this.argbCurrent,k=this.zbuf,l=this.pixel;0<=--e;)this.plotPixelsUnclippedCount(j,c,a,b++,d,f,k,l)}},"~N,~N,~N,~N,~N,~N");h(c$,"drawString",function(a,b,d,f,c,e,j){this.currentShadeIndex=0;null!=a&&(this.isClippedZ(e)||this.drawStringNoSlab(a,b,d,f,c,j))},"~S,JU.Font,~N,~N,~N,~N,~N");h(c$,"drawStringNoSlab",function(a, +b,d,f,c,e){if(null!=a){null==this.strings&&(this.strings=Array(10));this.stringCount==this.strings.length&&(this.strings=JU.AU.doubleLength(this.strings));var j=new J.g3d.TextString;j.setText(a,null==b?this.currentFont:this.currentFont=b,this.argbCurrent,JU.C.isColixTranslucent(e)?this.getColorArgbOrGray(e)&16777215|(e&30720)<<13:0,d,f,c);this.strings[this.stringCount++]=j}},"~S,JU.Font,~N,~N,~N,~N");h(c$,"renderAllStrings",function(a){if(null!=this.strings){2<=this.stringCount&&(null==J.g3d.Graphics3D.sort&& +(J.g3d.Graphics3D.sort=new J.g3d.TextString),java.util.Arrays.sort(this.strings,J.g3d.Graphics3D.sort));for(var b=0;b=a+j||a>=this.width||0>=b+k||b>=this.height))if(f=this.apiPlatform.drawImageToBuffer(null,this.platform.offscreenImage,f,j,k,l?e:0),null!=f){var l=this.zbuf,h=this.width,n=this.pixel,q=this.height,B=this.translucencyLog; +if(null==c&&0<=a&&a+j<=h&&0<=b&&b+k<=q){var y=0,F=0;for(a=b*h+a;yf||(this.plotPoints(a,b,c,e),this.plotPoints(a,b,c,e));else this.plotPoints(a,b,0,0)},"~N,~A,~N");h(c$,"drawDashedLineBits",function(a,b,d,f){this.isAntialiased()&&(a+=a,b+=b);this.setScreeni(d,this.sA);this.setScreeni(f,this.sB);this.line3d.plotLineBits(this.argbCurrent,this.argbCurrent, +this.sA,this.sB,a,b,!0);this.isAntialiased()&&(Math.abs(d.x-f.x)this.ht3)){var n=0;this.currentShadeIndex=0;this.setC(b)||(b=0);this.wasScreened&&(n=2);this.setC(a)||(a=0);this.wasScreened&&(n+=1);0==a&&0==b||this.cylinder3d.renderOld(a,b,n,d,f,c,e,j,k,l,h)}},"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");h(c$,"fillCylinderScreen3I",function(a,b,d,f){b<=this.ht3&&this.cylinder3d.renderOld(this.colixCurrent, +this.colixCurrent,0,a,b,C(d.x),C(d.y),C(d.z),C(f.x),C(f.y),C(f.z))},"~N,~N,JU.P3,JU.P3,JU.P3,JU.P3,~N");h(c$,"fillCylinder",function(a,b,d,f){b<=this.ht3&&this.cylinder3d.renderOld(this.colixCurrent,this.colixCurrent,0,a,b,d.x,d.y,d.z,f.x,f.y,f.z)},"~N,~N,JU.P3i,JU.P3i");h(c$,"fillCylinderBits",function(a,b,d,f){b<=this.ht3&&(1!=d.z&&1!=f.z)&&(0==b||1==b?(this.setScreeni(d,this.sA),this.setScreeni(f,this.sB),this.line3d.plotLineBits(this.getColorArgbOrGray(this.colixCurrent),this.getColorArgbOrGray(this.colixCurrent), +this.sA,this.sB,0,0,!1)):this.cylinder3d.renderBitsFloat(this.colixCurrent,this.colixCurrent,0,a,b,d,f))},"~N,~N,JU.P3,JU.P3");h(c$,"fillCylinderBits2",function(a,b,d,f,c,e){if(!(f>this.ht3)){var j=0;this.currentShadeIndex=0;this.setC(b)||(b=0);this.wasScreened&&(j=2);this.setC(a)||(a=0);this.wasScreened&&(j+=1);0==a&&0==b||(this.setScreeni(c,this.sA),this.setScreeni(e,this.sB),this.cylinder3d.renderBits(a,b,j,d,f,this.sA,this.sB))}},"~N,~N,~N,~N,JU.P3,JU.P3");h(c$,"fillConeScreen3f",function(a,b, +d,f,c){b<=this.ht3&&this.cylinder3d.renderConeOld(this.colixCurrent,a,b,d.x,d.y,d.z,f.x,f.y,f.z,!0,c)},"~N,~N,JU.P3,JU.P3,~B");h(c$,"drawHermite4",function(a,b,d,f,c){this.hermite3d.renderHermiteRope(!1,a,0,0,0,b,d,f,c)},"~N,JU.P3,JU.P3,JU.P3,JU.P3");h(c$,"drawHermite7",function(a,b,d,f,c,e,j,k,l,h,n,q,B){if(0==B)this.hermite3d.renderHermiteRibbon(a,b,d,f,c,e,j,k,l,h,n,q,0);else{this.hermite3d.renderHermiteRibbon(a,b,d,f,c,e,j,k,l,h,n,q,1);var y=this.colixCurrent;this.setC(B);this.hermite3d.renderHermiteRibbon(a, +b,d,f,c,e,j,k,l,h,n,q,-1);this.setC(y)}},"~B,~B,~N,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,JU.P3,~N,~N");h(c$,"fillHermite",function(a,b,d,f,c,e,j,k){this.hermite3d.renderHermiteRope(!0,a,b,d,f,c,e,j,k)},"~N,~N,~N,~N,JU.P3,JU.P3,JU.P3,JU.P3");h(c$,"drawTriangle3C",function(a,b,d,f,c,e,j){1==(j&1)&&this.drawLine(b,f,a.x,a.y,a.z,d.x,d.y,d.z);2==(j&2)&&this.drawLine(f,e,d.x,d.y,d.z,c.x,c.y,c.z);4==(j&4)&&this.drawLine(b,e,a.x,a.y,a.z,c.x,c.y,c.z)},"JU.P3i,~N,JU.P3i,~N,JU.P3i,~N,~N");h(c$,"fillTriangleTwoSided", +function(a,b,d,f){this.setColorNoisy(this.getShadeIndex(a));this.fillTriangleP3f(b,d,f,!1)},"~N,JU.P3,JU.P3,JU.P3");c(c$,"fillTriangleP3f",function(a,b,d,f){this.setScreeni(a,this.sA);this.setScreeni(b,this.sB);this.setScreeni(d,this.sC);this.triangle3d.fillTriangle(this.sA,this.sB,this.sC,f)},"JU.P3,JU.P3,JU.P3,~B");h(c$,"fillTriangle3f",function(a,b,d,f){var c=this.getShadeIndexP3(a,b,d,f);0>c||(f?this.setColorNoisy(c):this.setColor(this.shadesCurrent[c]),this.fillTriangleP3f(a,b,d,!1))},"JU.P3,JU.P3,JU.P3,~B"); +h(c$,"fillTriangle3i",function(a,b,d,f,c,e,j){j&&(f=this.vectorAB,f.set(b.x-a.x,b.y-a.y,b.z-a.z),null==d?f=this.shader.getShadeIndex(-f.x,-f.y,f.z):(this.vectorAC.set(d.x-a.x,d.y-a.y,d.z-a.z),f.cross(f,this.vectorAC),f=0<=f.z?this.shader.getShadeIndex(-f.x,-f.y,f.z):this.shader.getShadeIndex(f.x,f.y,-f.z)),56a?this.shadeIndexes2Sided[~a]:this.shadeIndexes[a]},"~N");c(c$,"setTriangleTranslucency",function(a,b,d){this.isPass2&&(a&=14336,b&=14336,d&=14336,this.translucencyMask=(JU.GData.roundInt(w((a+b+d)/3))&30720)<<13|16777215)},"~N,~N,~N");h(c$,"fillQuadrilateral",function(a,b,d,f,c){c=this.getShadeIndexP3(a, +b,d,c);0>c||(this.setColorNoisy(c),this.fillTriangleP3f(a,b,d,!1),this.fillTriangleP3f(a,d,f,!1))},"JU.P3,JU.P3,JU.P3,JU.P3,~B");h(c$,"drawSurface",function(){},"JU.MeshSurface,~N");h(c$,"plotPixelClippedP3i",function(a){this.plotPixelClippedArgb(this.argbCurrent,a.x,a.y,a.z,this.width,this.zbuf,this.pixel)},"JU.P3i");c(c$,"plotPixelClippedArgb",function(a,b,d,f,c,e,j){this.isClipped3(b,d,f)||(b=d*c+b,fb||(b>=j||0>d||d>=k)||h.addImagePixel(c,n,d*j+b,f,a,e)},"~N,~N,~N,~N,~N,~N,~N,~N,~A,~O,~N");c(c$,"plotPixelsClippedRaster",function(a,b,d,f,c,e,j){var k,l;if(!(0>=a||0>d||d>=this.height||b>=this.width||f<(l=this.slab)&&c(k=this.depth)&&c>k)){var h=this.zbuf,n=(b<<16)+(d<<1)^858993459,q=(f<<10)+512;f=c-f;c=w(a/2);f=JU.GData.roundInt(w(((f<<10)+(0<=f?c:-c))/ +a));if(0>b){b=-b;q+=f*b;a-=b;if(0>=a)return;b=0}a+b>this.width&&(a=this.width-b);b=d*this.width+b;d=this.pixel;if(null==e){e=this.argbNoisyDn;c=this.argbNoisyUp;for(var B=this.argbCurrent;0<=--a;){j=q>>10;if(j>=l&&j<=k&&j>16&7;d.addPixel(b,j,0==y?e:1==y?c:B)}++b;q+=f}}else{n=e.r<<8;c=w((j.r-e.r<<8)/a);B=e.g;y=w((j.g-B)/a);e=e.b;for(var F=w((j.b-e)/a);0<=--a;)j=q>>10,j>=l&&(j<=k&&j>8&255),++b,q+=f,n+= +c,B+=y,e+=F}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16");c(c$,"plotPixelsUnclippedRaster",function(a,b,d,f,c,e,j){if(!(0>=a)){var k=((b<<16)+(d<<1)^858993459)&2147483647,l=(f<<10)+512;f=c-f;c=w(a/2);f=JU.GData.roundInt(w(((f<<10)+(0<=f?c:-c))/a));b=d*this.width+b;d=this.zbuf;c=this.pixel;if(null==e){e=this.argbNoisyDn;for(var h=this.argbNoisyUp,n=this.argbCurrent;0<=--a;){j=l>>10;if(j>16&7;c.addPixel(b,j,0==q?e:1==q?h:n)}++b;l+=f}}else{k=e.r<<8;h=JU.GData.roundInt(w((j.r- +e.r<<8)/a));n=e.g;q=JU.GData.roundInt(w((j.g-n)/a));e=e.b;for(var B=JU.GData.roundInt(w((j.b-e)/a));0<=--a;)j=l>>10,j>8&255),++b,l+=f,k+=h,n+=q,e+=B}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16");c(c$,"plotPixelsClippedRasterBits",function(a,b,d,f,c,e,j,k,l){var h,n;if(!(0>=a||0>d||d>=this.height||b>=this.width||f<(n=this.slab)&&c(h=this.depth)&&c>h)){f=this.zbuf;var q=(b<<16)+(d<<1)^858993459;if(0>b){a-=-b;if(0>=a)return;b=0}a+b>this.width&&(a= +this.width-b);d=d*this.width+b;c=this.pixel;if(null==e){e=this.argbNoisyDn;for(var B=this.argbNoisyUp,y=this.argbCurrent;0<=--a;){j=this.line3d.getZCurrent(k,l,b++);if(j>=n&&j<=h&&j>16&7;c.addPixel(d,j,2>F?e:6>F?B:y)}++d}}else{q=e.r<<8;B=w((j.r-e.r<<8)/a);y=e.g;F=w((j.g-y)/a);e=e.b;for(var I=w((j.b-e)/a);0<=--a;)j=this.line3d.getZCurrent(k,l,b++),j>=n&&(j<=h&&j>8&255),++d,q+=B,y+=F,e+=I}}},"~N,~N,~N,~N,~N,JU.Rgb16,JU.Rgb16,~N,~N"); +c(c$,"plotPixelsUnclippedRasterBits",function(a,b,d,f,c,e,j){if(!(0>=a)){var k=((b<<16)+(d<<1)^858993459)&2147483647;d=d*this.width+b;var l=this.zbuf,h=this.pixel;if(null==f)for(var n=this.argbNoisyDn,q=this.argbNoisyUp,B=this.argbCurrent;0<=--a;)c=this.line3d.getZCurrent(e,j,b++),c>16&7,h.addPixel(d,c,0==f?n:1==f?q:B)),++d;else{k=f.r<<8;n=JU.GData.roundInt(w((c.r-f.r<<8)/a));q=f.g;B=JU.GData.roundInt(w((c.g-q)/a));f=f.b;for(var y=JU.GData.roundInt(w((c.b- +f)/a));0<=--a;)c=this.line3d.getZCurrent(e,j,b++),c>8&255),++d,k+=n,q+=B,f+=y}}},"~N,~N,~N,JU.Rgb16,JU.Rgb16,~N,~N");c(c$,"plotPixelsUnclippedCount",function(a,b,d,f,c,e,j,k){for(d=f*e+d;0<=--b;)ca?a+1:63];this.argbNoisyDn=this.shadesCurrent[0a.z?this.shader.getShadeIndex(a.x,a.y,-a.z):f?-1:this.shader.getShadeIndex(-a.x,-a.y,a.z)},"JU.P3,JU.P3,JU.P3,~B");h(c$,"renderBackground",function(a){null!=this.backgroundImage&&this.plotImage(-2147483648,0,-2147483648,this.backgroundImage,a,0,0,0)},"J.api.JmolRendererInterface");h(c$,"drawAtom",function(a){this.fillSphereXYZ(a.sD,a.sX,a.sY,a.sZ)},"JM.Atom,~N");h(c$,"getExportType",function(){return 0}); +h(c$,"getExportName",function(){return null});c(c$,"canDoTriangles",function(){return!0});c(c$,"isCartesianExport",function(){return!1});h(c$,"initializeExporter",function(){return null},"JV.Viewer,~N,JU.GData,java.util.Map");h(c$,"finalizeOutput",function(){return null});h(c$,"drawBond",function(){},"JU.P3,JU.P3,~N,~N,~N,~N,~N");h(c$,"drawEllipse",function(){return!1},"JU.P3,JU.P3,JU.P3,~B,~B");c(c$,"getPrivateKey",function(){return 0});h(c$,"clearFontCache",function(){J.g3d.TextRenderer.clearFontCache()}); +c(c$,"setRotationMatrix",function(a){for(var b=JU.Normix.getVertexVectors(),d=JU.GData.normixCount;0<=--d;){var f=this.transformedVectors[d];a.rotate2(b[d],f);this.shadeIndexes[d]=this.shader.getShadeB(f.x,-f.y,f.z);this.shadeIndexes2Sided[d]=0<=f.z?this.shadeIndexes[d]:this.shader.getShadeB(-f.x,f.y,-f.z)}},"JU.M3");h(c$,"renderCrossHairs",function(a,b,d,f,c){b=this.isAntialiased();this.setC(0>c?10:100>=1;this.setC(a[1]f.x?21:11);this.drawRect(c+k,d,e,0,k,b);this.setC(a[3]f.y?21:11);this.drawRect(c,d+k,e,0,b,k)},"~A,~N,~N,JU.P3,~N");h(c$,"initializeOutput",function(){return!1},"JV.Viewer,~N,java.util.Map");G(c$,"sort",null,"nullShadeIndex", +50)});m("J.g3d");x(["J.g3d.PrecisionRenderer","java.util.Hashtable"],"J.g3d.LineRenderer",["java.lang.Float","JU.BS"],function(){c$=u(function(){this.lineBits=this.shader=this.g3d=null;this.slope=0;this.lineTypeX=!1;this.nBits=0;this.slopeKey=this.lineCache=null;this.z2t=this.y2t=this.x2t=this.z1t=this.y1t=this.x1t=0;t(this,arguments)},J.g3d,"LineRenderer",J.g3d.PrecisionRenderer);O(c$,function(){this.lineCache=new java.util.Hashtable});p(c$,function(a){H(this,J.g3d.LineRenderer,[]);this.g3d=a;this.shader= +a.shader},"J.g3d.Graphics3D");c(c$,"setLineBits",function(a,b){this.slope=0!=a?b/a:0<=b?3.4028235E38:-3.4028235E38;this.nBits=(this.lineTypeX=1>=this.slope&&-1<=this.slope)?this.g3d.width:this.g3d.height;this.slopeKey=Float.$valueOf(this.slope);if(this.lineCache.containsKey(this.slopeKey))this.lineBits=this.lineCache.get(this.slopeKey);else{this.lineBits=JU.BS.newN(this.nBits);b=Math.abs(b);a=Math.abs(a);if(b>a){var d=a;a=b;b=d}for(var d=0,f=a+a,c=b+b,e=0;ea&&(this.lineBits.set(e), +d-=f);this.lineCache.put(this.slopeKey,this.lineBits)}},"~N,~N");c(c$,"clearLineCache",function(){this.lineCache.clear()});c(c$,"plotLineOld",function(a,b,d,f,c,e,j,k){this.x1t=d;this.x2t=e;this.y1t=f;this.y2t=j;this.z1t=c;this.z2t=k;var l=!0;switch(this.getTrimmedLineImpl()){case 0:l=!1;break;case 2:return}this.plotLineClippedOld(a,b,d,f,c,e-d,j-f,k-c,l,0,0)},"~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"plotLineDeltaOld",function(a,b,d,f,c,e,j,k,l){this.x1t=d;this.x2t=d+e;this.y1t=f;this.y2t=f+j;this.z1t=c; +this.z2t=c+k;if(l)switch(this.getTrimmedLineImpl()){case 2:return;case 0:l=!1}this.plotLineClippedOld(a,b,d,f,c,e,j,k,l,0,0)},"~N,~N,~N,~N,~N,~N,~N,~N,~B");c(c$,"plotLineDeltaAOld",function(a,b,d,f,c,e,j,k,l,h,n){this.x1t=c;this.x2t=c+k;this.y1t=e;this.y2t=e+l;this.z1t=j;this.z2t=j+h;if(n)switch(this.getTrimmedLineImpl()){case 2:return;case 0:n=!1}var q=this.g3d.zbuf,B=this.g3d.width,y=0,F=e*B+c,I=this.g3d.bufferSize,m=63>f?f+1:f,s=0k&&(k=-k,n=-1);0>l&&(l=-l,s=-B);B=k+k;e=l+l;j<<=10;if(l<=k){var x=k-1;0>h&&(x=-x);h=w(((h<<10)+x)/k);l=0;x=Math.abs(c-this.x2t)-1;c=Math.abs(c-this.x1t)-1;for(var v=k-1,z=w(v/2);--v>=x;){if(v==z){a=u;if(0==a)break;p=m;t=b;0!=d%3&&(f=this.g3d.setScreened(2==(d&2)),this.g3d.currentShadeIndex=0)}F+=n;j+=h;l+=e;l>k&&(F+=s,l-=B);if(0!=a&&vy){var A=j>>10;if(AC?t:170h&&(x=-x);h=w(((h<<10)+x)/l);k=0;x=Math.abs(v-this.y2t)-1;c=Math.abs(v-this.y1t)-1;v=l-1;for(z=w(v/2);--v>=x;){if(v==z){a=u;if(0==a)break;p=m;t=b;0!=d%3&&(f=this.g3d.setScreened(2==(d&2)),this.g3d.currentShadeIndex=0)}F+=s;j+=h;k+=B;k>l&&(F+=n,k-=e);0!=a&&(vy)&&(A=j>>10,AC? +t:170d?d+1:d,q=0n)&&(f=this.getZCurrent(this.a, +this.b,m),fI?F:170t;)t+=this.nBits;this.lineBits.get(t%this.nBits)&&(q+=y)}}},"~A,~A,~N,JU.P3,JU.P3,~N,~B");c(c$,"plotLineDeltaABitsInt",function(a,b,d,f,c,e,j){var k=f.x,l=f.y,h=f.z,n=c.x,q=c.y,B=c.z,y=n-k,F=q-l;this.x1t=k;this.x2t=n;this.y1t=l;this.y2t=q;this.z1t=h;this.z2t=B;if(!(j&&2==this.getTrimmedLineImpl())){j=this.g3d.zbuf;var I=this.g3d.width,n=0,B=63>d?d+1:d,q=0n)&&(f=this.getZCurrent(this.a,this.b,m),fI?F:170p;)p+=this.nBits;this.lineBits.get(p%this.nBits)&&(q+=y)}}},"~A,~A,~N,JU.P3i,JU.P3i,~N,~B");c(c$,"plotLineBits",function(a,b,d,f,c,e,j){if(!(1>=d.z||1>=f.z)){var k=!0;this.x1t=d.x;this.y1t=d.y;this.z1t=d.z;this.x2t=f.x;this.y2t=f.y;this.z2t=f.z;switch(this.getTrimmedLineImpl()){case 2:return; +case 0:k=!1;break;default:j&&(d.set(this.x1t,this.y1t,this.z1t),f.set(this.x2t,this.y2t,this.z2t))}j=this.g3d.zbuf;var l=this.g3d.width,h=0;0==c&&(e=2147483647,c=1);var n=d.x,q=d.y,B=d.z,y=f.x-n,F=n+y,I=f.y-q,m=q+I,p=q*l+n,s=this.g3d.bufferSize,t=this.g3d.pixel;0!=a&&(!k&&0<=p&&py&&(y=-y,k=-1);0>I&&(I=-I,B=-l,u=-1);var l=y+y,v=I+I;if(I<=y){this.setRastAB(d.x,d.z,f.x,f.z);q=0;d=Math.abs(F-this.x2t)-1;F=Math.abs(F-this.x1t)-1;m=y-1;for(f= +w(m/2);--m>=d&&!(m==f&&(a=b,0==a));){p+=k;n+=k;q+=v;q>y&&(p+=B,q-=l);if(0!=a&&m=d&&!(m==f&&(a=b,0==a));)p+=B,q+=u,n+=l,n>I&&(p+=k,n-=v),0!=a&&(me&&(e=-e,l=-1);0>j&&(j=-j,p=-B);B=e+e;f=j+j;c<<=10;if(j<=e){var t=e-1;0>k&&(t=-t);k=w(((k<<10)+t)/e);j=0;t=Math.abs(d-this.x2t)-1;d=Math.abs(d-this.x1t)-1;for(var s=e-1,u=w(s/2);--s>=t&&!(s==u&&(a=b,0==a));){F+=l;c+=k;j+=f;j>e&&(F+=p,j-=B);if(0!=a&&s>10;vk&&(t=-t);k=w(((k<<10)+t)/j); +e=0;t=Math.abs(s-this.y2t)-1;d=Math.abs(s-this.y1t)-1;s=j-1;for(u=w(s/2);--s>=t&&!(s==u&&(a=b,0==a));)F+=p,c+=k,e+=B,e>j&&(F+=l,e-=f),0!=a&&(s>10,vb&&(this.zb[a]=2147483647)},"~N,~N");c(c$,"addPixel",function(a,b,d){this.zb[a]=b;this.pb[a]=d},"~N,~N,~N");c(c$,"addImagePixel",function(a,b,d,f,c,e){if(f=a&&(b=this.pb[d],0!=e&&(b=J.g3d.Graphics3D.mergeBufferPixel(b, +e,e)),b=J.g3d.Graphics3D.mergeBufferPixel(b,c&16777215|a<<24,this.bgcolor),this.addPixel(d,f,b))}},"~N,~N,~N,~N,~N,~N")});m("J.g3d");x(["J.g3d.Pixelator"],"J.g3d.PixelatorT",["J.g3d.Graphics3D"],function(){c$=E(J.g3d,"PixelatorT",J.g3d.Pixelator);h(c$,"clearPixel",function(){},"~N,~N");h(c$,"addPixel",function(a,b,d){var f=this.g.zbufT[a];if(bthis.g.zMargin)&&(this.pb[a]=J.g3d.Graphics3D.mergeBufferPixel(this.pb[a],c,this.g.bgcolor)); +this.g.zbufT[a]=b;this.g.pbufT[a]=d&this.g.translucencyMask}else b!=f&&!this.g.translucentCoverOnly&&b-f>this.g.zMargin&&(this.pb[a]=J.g3d.Graphics3D.mergeBufferPixel(this.pb[a],d&this.g.translucencyMask,this.g.bgcolor))},"~N,~N,~N")});m("J.g3d");x(["J.g3d.Pixelator"],"J.g3d.PixelatorShaded",null,function(){c$=u(function(){this.tmp=this.bgRGB=null;this.zShadePower=this.zDepth=this.zSlab=0;t(this,arguments)},J.g3d,"PixelatorShaded",J.g3d.Pixelator);p(c$,function(a){H(this,J.g3d.PixelatorShaded,[a]); +this.tmp=A(3,0)},"J.g3d.Graphics3D");c(c$,"set",function(a,b,d){this.bgcolor=this.g.bgcolor;this.bgRGB=A(-1,[this.bgcolor&255,this.bgcolor>>8&255,this.g.bgcolor>>16&255]);this.zSlab=0>a?0:a;this.zDepth=0>b?0:b;this.zShadePower=d;this.p0=this.g.pixel0;return this},"~N,~N,~N");h(c$,"addPixel",function(a,b,d){if(!(b>this.zDepth)){if(b>=this.zSlab&&0>8;f[2]=d>>16;var e=(this.zDepth-b)/(this.zDepth-this.zSlab);if(1j;j++)f[j]=c[j]+C(e*((f[j]&255)-c[j]));d=f[2]<<16|f[1]<<8|f[0]|d&4278190080}this.p0.addPixel(a,b,d)}},"~N,~N,~N");c(c$,"showZBuffer",function(){for(var a=this.p0.zb.length;0<=--a;)if(0!=this.p0.pb[a]){var b=C(Math.min(255,Math.max(0,255*(this.zDepth-this.p0.zb[a])/(this.zDepth-this.zSlab))));this.p0.pb[a]=4278190080|b|b<<8|b<<16}})});m("J.g3d");x(["J.g3d.Pixelator"],"J.g3d.PixelatorScreened",null,function(){c$=E(J.g3d,"PixelatorScreened",J.g3d.Pixelator);p(c$, +function(a,b){H(this,J.g3d.PixelatorScreened,[a]);this.width=a.width;this.p0=b},"J.g3d.Graphics3D,J.g3d.Pixelator");h(c$,"addPixel",function(a,b,d){a%this.width%2==w(a/this.width)%2&&this.p0.addPixel(a,b,d)},"~N,~N,~N")});m("J.g3d");c$=u(function(){this.bufferSizeT=this.bufferSize=this.bufferHeight=this.bufferWidth=this.windowSize=this.windowHeight=this.windowWidth=0;this.zBufferT=this.zBuffer=this.pBufferT=this.pBuffer=this.bufferedImage=null;this.heightOffscreen=this.widthOffscreen=0;this.apiPlatform= +this.graphicsForTextOrImage=this.offscreenImage=null;t(this,arguments)},J.g3d,"Platform3D");p(c$,function(a){this.apiPlatform=a},"J.api.GenericPlatform");c(c$,"getGraphicsForMetrics",function(){return this.apiPlatform.getGraphics(this.allocateOffscreenImage(1,1))});c(c$,"allocateTBuffers",function(a){this.bufferSizeT=a?this.bufferSize:this.windowSize;this.zBufferT=A(this.bufferSizeT,0);this.pBufferT=A(this.bufferSizeT,0)},"~B");c(c$,"allocateBuffers",function(a,b,d,f){this.windowWidth=a;this.windowHeight= +b;this.windowSize=a*b;d&&(a*=2,b*=2);this.bufferWidth=a;this.bufferHeight=b;this.bufferSize=this.bufferWidth*this.bufferHeight;this.zBuffer=A(this.bufferSize,0);this.pBuffer=A(this.bufferSize,0);this.bufferedImage=this.apiPlatform.allocateRgbImage(this.windowWidth,this.windowHeight,this.pBuffer,this.windowSize,J.g3d.Platform3D.backgroundTransparent,f)},"~N,~N,~B,~B");c(c$,"releaseBuffers",function(){this.windowWidth=this.windowHeight=this.bufferWidth=this.bufferHeight=this.bufferSize=-1;null!=this.bufferedImage&& +(this.apiPlatform.flushImage(this.bufferedImage),this.bufferedImage=null);this.zBufferT=this.pBufferT=this.zBuffer=this.pBuffer=null});c(c$,"hasContent",function(){for(var a=this.bufferSize;0<=--a;)if(2147483647!=this.zBuffer[a])return!0;return!1});c(c$,"clearScreenBuffer",function(){for(var a=this.bufferSize;0<=--a;)this.zBuffer[a]=2147483647,this.pBuffer[a]=0});c(c$,"setBackgroundColor",function(a){if(null!=this.pBuffer)for(var b=this.bufferSize;0<=--b;)0==this.pBuffer[b]&&(this.pBuffer[b]=a)}, +"~N");c(c$,"clearTBuffer",function(){for(var a=this.bufferSizeT;0<=--a;)this.zBufferT[a]=2147483647,this.pBufferT[a]=0});c(c$,"clearBuffer",function(){this.clearScreenBuffer()});c(c$,"clearScreenBufferThreaded",function(){});c(c$,"notifyEndOfRendering",function(){this.apiPlatform.notifyEndOfRendering()});c(c$,"getGraphicsForTextOrImage",function(a,b){if(a>this.widthOffscreen||b>this.heightOffscreen)null!=this.offscreenImage&&(this.apiPlatform.disposeGraphics(this.graphicsForTextOrImage),this.apiPlatform.flushImage(this.offscreenImage)), +a>this.widthOffscreen&&(this.widthOffscreen=a),b>this.heightOffscreen&&(this.heightOffscreen=b),this.offscreenImage=this.allocateOffscreenImage(this.widthOffscreen,this.heightOffscreen),this.graphicsForTextOrImage=this.apiPlatform.getStaticGraphics(this.offscreenImage,J.g3d.Platform3D.backgroundTransparent);return this.graphicsForTextOrImage},"~N,~N");c(c$,"allocateOffscreenImage",function(a,b){return this.apiPlatform.newOffScreenImage(a,b)},"~N,~N");c(c$,"setBackgroundTransparent",function(a){J.g3d.Platform3D.backgroundTransparent= +a},"~B");G(c$,"backgroundTransparent",!1);m("J.g3d");c$=u(function(){this.b=this.a=0;this.isOrthographic=!1;t(this,arguments)},J.g3d,"PrecisionRenderer");c(c$,"getZCurrent",function(a,b,d){return Math.round(1.4E-45==a?b:this.isOrthographic?a*d+b:a/(b-d))},"~N,~N,~N");c(c$,"setRastABFloat",function(a,b,d,f){var c=f-b,e=d-a;0==c||0==e?(this.a=1.4E-45,this.b=b):this.isOrthographic?(this.a=c/e,this.b=b-this.a*a):(this.a=e*b*(f/c),this.b=(d*f-a*b)/c)},"~N,~N,~N,~N");c(c$,"setRastAB",function(a,b,d,f){var c= +f-b,e=d-a;1.4E-45==a||0==c||0==e?(this.a=1.4E-45,this.b=f):this.isOrthographic?(this.a=c/e,this.b=b-this.a*a):(this.a=e*b*(f/c),this.b=(d*f-a*b)/c)},"~N,~N,~N,~N");m("J.g3d");x(["JU.P3"],"J.g3d.SphereRenderer",null,function(){c$=u(function(){this.mDeriv=this.coef=this.mat=this.zroot=this.shader=this.g3d=null;this.planeShade=this.selectedOctant=0;this.zbuf=null;this.offsetPbufBeginLine=this.slab=this.depth=this.height=this.width=0;this.dxyz=this.planeShades=this.ptTemp=null;t(this,arguments)},J.g3d, +"SphereRenderer");O(c$,function(){this.zroot=Q(2,0);this.ptTemp=new JU.P3;this.planeShades=A(3,0);this.dxyz=K(3,3,0)});p(c$,function(a){this.g3d=a;this.shader=a.shader},"J.g3d.Graphics3D");c(c$,"render",function(a,b,d,f,c,e,j,k,l,h){if(1!=c&&(49>1,q=c-n;if(!(c+nthis.depth)){var B=d-n,y=d+n,F=f-n,m=f+n;this.shader.nOut=this.shader.nIn=0;this.zbuf=this.g3d.zbuf;this.height=this.g3d.height; +this.width=this.g3d.width;this.offsetPbufBeginLine=this.width*f+d;var p=this.shader;this.mat=e;if(null!=e&&(this.coef=j,this.mDeriv=k,this.selectedOctant=l,null==p.ellipsoidShades&&p.createEllipsoidShades(),null!=h)){this.planeShade=-1;for(j=0;3>j;j++)if(n=this.dxyz[j][0]=h[j].x-d,k=this.dxyz[j][1]=h[j].y-f,l=this.dxyz[j][2]=h[j].z-c,this.planeShades[j]=p.getShadeIndex(n,k,-l),0==n&&0==k){this.planeShade=this.planeShades[j];break}}if(null!=e||128B||y>=this.width||0>F||m>=this.height||qthis.depth?this.renderSphereClipped(s,d,f,c,b,a):this.renderSphereUnclipped(s,c,b,a)}this.zbuf=null}}},"~A,~N,~N,~N,~N,JU.M3,~A,JU.M4,~N,~A");c(c$,"renderSphereUnclipped",function(a,b,d,f){var c=0,e=1-(d&1),j=this.offsetPbufBeginLine,k=j-e*this.width;d=w((d+1)/2);var l=this.zbuf,h=this.width,n=this.g3d.pixel;do{var q=j,B=j-e,y=k, +F=k-e,m;do{m=a[c++];var p=b-(m&127);p>7&63]);p>13&63]);p>19&63]);p>25&63]);++q;--B;++y;--F}while(0<=m);j+=h;k-=h}while(0<--d)},"~A,~N,~N,~A");c(c$,"renderSphereClipped",function(a,b,d,f,c,e){var j=this.width,k=this.height,l=0,h=1-(c&1),n=this.offsetPbufBeginLine,q=n-h*j;c=w((c+1)/2);var B=d,y=d-h;d=(b<<16)+(d<<1)^858993459;var F=this.zbuf,m=this.g3d.pixel,p=this.slab,s=this.depth;do{var t=0<=B&& +B=p):(L=f-K,K=L=p&&L<=s){if(t){if(H&&L>7&7):D>>7&63;m.addPixel(v,L,e[M])}G&&L>13&7):D>>13&63,m.addPixel(x,L,e[M]))}u&&(H&&L>19&7):D>>19&63,m.addPixel(z,L,e[M])),G&&L>25&7):D>>25&63,m.addPixel(A,L,e[M])))}++v;--x;++z;--A;++C;--E;K&&(d=(d<<16)+(d<<1)+d&2147483647)}while(0<=D);n+=j;q-=j;++B; +--y}while(0<--c)},"~A,~N,~N,~N,~N,~A");c(c$,"renderQuadrant",function(a,b,d,f,c,e,j){e=w(e/2);var k=d+e*a,l=(0>d?-1:dk?-2:kf?-1:fk?-2:k=this.slab&&c<=this.depth?this.renderQuadrantUnclipped(e,a,b,c,j):this.renderQuadrantClipped(e,a,b,d,f,c,j)))},"~N,~N,~N,~N,~N,~N,~A");c(c$,"renderQuadrantUnclipped",function(a,b,d,f,c){for(var e=a*a,j=2*a+1,k=0>d?-this.width: +this.width,l=this.offsetPbufBeginLine,h=this.zbuf,n=this.g3d.pixel,q=this.shader.sphereShadeIndexes,B=0,y=0;y<=e;y+=B+ ++B,l+=k)for(var F=l,m=e-y,p=f-a,s=w((B*d+a<<8)/j),t=0,u=0;u<=m;u+=t+ ++t,F+=b)if(!(h[F]<=p)&&(p=w(Math.sqrt(m-u)),p=f-p,!(h[F]<=p))){var v=w((t*b+a<<8)/j);n.addPixel(F,p,c[q[(s<<8)+v]])}},"~N,~N,~N,~N,~A");c(c$,"renderQuadrantClipped",function(a,b,d,f,c,e,j){for(var k=null!=this.mat,l=0<=this.selectedOctant,h=a*a,n=2*a+1,q=0>d?-this.width:this.width,B=this.offsetPbufBeginLine,y= +(f<<16)+(c<<1)^858993459,F=0,m=0,p=this.g3d.pixel,s=0,t=this.height,u=this.width,v=this.zbuf,x=this.dxyz,z=this.slab,A=this.depth,D=this.ptTemp,C=this.coef,E=this.zroot,G=this.selectedOctant,H=this.shader,L=this.planeShades,K=H.sphereShadeIndexes,M=this.planeShade,N=this.mat,O=0,P=0,Q=c;P<=h;P+=O+ ++O,B+=q,Q+=d)if(0>Q){if(0>d)break}else if(Q>=t){if(0R){if(0> +b)break}else if(R>=u){if(0Y){if(0<=W)break;continue}Y=Math.sqrt(Y);E[0]=-S-Y;E[1]=-S+Y;W=eD.x&&(Y|=1);0>D.y&&(Y|=2);0>D.z&&(Y|=4);if(Y==G){if(0<=M)m=M;else{T=3;m=3.4028235E38;for(S=0;3>S;S++)if(0!=(Y=x[S][2]))Y=e+(-x[S][0]*(R-f)-x[S][1]*(Q-c))/Y,Y=z:SA||v[Z]<=s)continue}else{S=w(Math.sqrt(U-V));S=e+(e=z:SA||v[Z]<=S)continue}switch(T){case 0:m=44+(y>>8&7);y=(y<<16)+(y<<1)+y&2147483647;T=1;break;case 2:m=H.getEllipsoidShade(R,Q,E[W],a,this.mDeriv);break;case 3:p.clearPixel(Z,s);break;default:m=w((X*b+a<<8)/n),m=K[(F<<8)+m]}p.addPixel(Z,S,j[m])}y=(y+R+Q|1)&2147483647}},"~N,~N,~N,~N,~N,~N,~A");G(c$,"maxOddSizeSphere",49,"maxSphereDiameter",1E3,"maxSphereDiameter2", 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k},"~N,~N,J.g3d.Graphics3D,~S,JU.Font,~B");c(c$,"setTranslucency",function(a,b,d){a=d.apiPlatform.getTextPixels(a,b,d.platform.getGraphicsForTextOrImage(this.mapWidth,this.height),d.platform.offscreenImage,this.mapWidth,this.height,this.ascent);if(null!=a){this.tmap=P(this.size,0);for(b=a.length;0<=--b;)d=a[b]&255,0!=d&&(this.tmap[b]= +J.g3d.TextRenderer.translucency[d>>5])}},"~S,JU.Font,J.g3d.Graphics3D");G(c$,"translucency",P(-1,[7,6,5,4,3,2,1,8]),"working",!1);c$.htFont3d=c$.prototype.htFont3d=new java.util.Hashtable;c$.htFont3dAntialias=c$.prototype.htFont3dAntialias=new java.util.Hashtable});m("J.g3d");x(["JU.P3i"],"J.g3d.TextString",null,function(){c$=u(function(){this.font=this.text=null;this.bgargb=this.argb=0;t(this,arguments)},J.g3d,"TextString",JU.P3i,java.util.Comparator);c(c$,"setText",function(a,b,d,f,c,e,j){this.text= +a;this.font=b;this.argb=d;this.bgargb=f;this.x=c;this.y=e;this.z=j},"~S,JU.Font,~N,~N,~N,~N,~N");h(c$,"compare",function(a,b){return null==a||null==b?0:a.z>b.z?-1:a.z=this.az[0]||1>=this.az[1]||1>=this.az[2])){b=this.g3d.clipCode3(this.ax[0],this.ay[0],this.az[0]);d=this.g3d.clipCode3(this.ax[1],this.ay[1],this.az[1]);var c=this.g3d.clipCode3(this.ax[2],this.ay[2],this.az[2]),e=b|d|c;a=0!=e;if(!a||!(-1==e||0!=(b&d&c))){c=0;this.ay[1]this.ay[j])var k=e,e=j,j=k;b=this.ay[c];var l=this.ay[e],h=this.ay[j];d=h-b+1;if(!(d>3*this.g3d.height)){if(d>this.axW.length){var n=d+31&-32;this.axW=A(n,0);this.azW=A(n,0);this.axE=A(n,0);this.azE=A(n,0);this.aa=K(n,0);this.bb=K(n,0);this.rgb16sW=this.reallocRgb16s(this.rgb16sW,n);this.rgb16sE=this.reallocRgb16s(this.rgb16sE,n)}var q;f?(n=this.rgb16sW,q=this.rgb16sE):n=q=null;k=l-b;0==k?(this.ax[e]l&&(h=-h),this.ax[c]+w((l*k+h)/d)b&&(d+=b,j-=b,b=0);b+d>this.g3d.height&&(d=this.g3d.height-b);if(f)if(a)for(;--d>=c;++b,++j)a=this.axE[j]-(f=this.axW[j])+e,0=c;++b,++j)a=this.axE[j]-(f=this.axW[j])+e,1==c&&0>a&&(a=1,f--),0=c;++b,++j)a=this.axE[j]-(f=this.axW[j])+e,0=c;++b,++j)a=this.axE[j]-(f=this.axW[j])+e,1==c&&0>a&&(a=1,f--),0e)f[h]=s==u?this.ax[d]:k,c[h]=this.getZCurrent(y,m,t),p&&(this.setRastAB(this.axW[h],this.azW[h],f[h],c[h]),this.aa[h]=this.a,this.bb[h]=this.b);k+=B;q+=n;0=j.length?(2==a&&(0!=f.length&&0!=c.length)&& +b.put(c,f),a=0):0==j.indexOf("msgid")?(a=1,c=J.i18n.Resource.fix(j)):0==j.indexOf("msgstr")?(a=2,f=J.i18n.Resource.fix(j)):1==a?c+=J.i18n.Resource.fix(j):2==a&&(f+=J.i18n.Resource.fix(j))}}catch(k){if(!D(k,Exception))throw k;}JU.Logger.info(b.size()+" translations loaded");return 0==b.size()?null:new J.i18n.Resource(b,null)},"~S");c$.fix=c(c$,"fix",function(a){0<=a.indexOf('\\"')&&(a=JU.PT.rep(a,'\\"','"'));return JU.PT.rep(a.substring(a.indexOf('"')+1,a.lastIndexOf('"')),"\\n","\n")},"~S")});m("J.io"); +x(null,"J.io.FileReader","java.io.BufferedInputStream $.BufferedReader $.Reader java.util.zip.ZipInputStream javajs.api.GenericBinaryDocument JU.AU $.PT $.Rdr J.api.Interface JU.Logger".split(" "),function(){c$=u(function(){this.htParams=this.readerOrDocument=this.atomSetCollection=this.fileTypeIn=this.nameAsGivenIn=this.fullPathNameIn=this.fileNameIn=this.vwr=null;this.isAppend=!1;this.bytesOrStream=null;t(this,arguments)},J.io,"FileReader");p(c$,function(a,b,d,f,c,e,j,k){this.vwr=a;this.fileNameIn= +null==b?d:b;this.fullPathNameIn=null==d?this.fileNameIn:d;this.nameAsGivenIn=null==f?this.fileNameIn:f;this.fileTypeIn=c;null!=e&&(JU.AU.isAB(e)||s(e,java.io.BufferedInputStream)?(this.bytesOrStream=e,e=null):s(e,java.io.Reader)&&!s(e,java.io.BufferedReader)&&(e=new java.io.BufferedReader(e)));this.readerOrDocument=e;this.htParams=j;this.isAppend=k},"JV.Viewer,~S,~S,~S,~S,~O,java.util.Map,~B");c(c$,"run",function(){!this.isAppend&&this.vwr.displayLoadErrors&&this.vwr.zap(!1,!0,!1);var a=null,b=null; +this.fullPathNameIn.contains("#_DOCACHE_")&&(this.readerOrDocument=J.io.FileReader.getChangeableReader(this.vwr,this.nameAsGivenIn,this.fullPathNameIn));if(null==this.readerOrDocument){b=this.vwr.fm.getUnzippedReaderOrStreamFromName(this.fullPathNameIn,this.bytesOrStream,!0,!1,!1,!0,this.htParams);if(null==b||s(b,String)){a=null==b?"error opening:"+this.nameAsGivenIn:b;a.startsWith("NOTE:")||JU.Logger.error("file ERROR: "+this.fullPathNameIn+"\n"+a);this.atomSetCollection=a;return}if(s(b,java.io.BufferedReader))this.readerOrDocument= +b;else if(s(b,java.util.zip.ZipInputStream)){var a=this.fullPathNameIn,d=null,a=a.$replace("\\","/");0<=a.indexOf("|")&&!a.endsWith(".zip")&&(d=JU.PT.split(a,"|"),a=d[0]);null!=d&&this.htParams.put("subFileList",d);d=b;b=this.vwr.fm.getZipDirectory(a,!0,!0);this.atomSetCollection=b=this.vwr.fm.getJzu().getAtomSetCollectionOrBufferedReaderFromZip(this.vwr,d,a,b,this.htParams,1,!1);try{d.close()}catch(f){if(!D(f,Exception))throw f;}}}s(b,java.io.BufferedInputStream)&&(this.readerOrDocument=J.api.Interface.getInterface("JU.BinaryDocument", 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this.atomSetCollection})});m("J.render"); +x(["J.render.ShapeRenderer"],"J.render.BallsRenderer",["J.shape.Shape"],function(){c$=E(J.render,"BallsRenderer",J.render.ShapeRenderer);h(c$,"render",function(){var a=!1;if(this.isExport||this.vwr.checkMotionRendering(1140850689))for(var b=this.ms.at,d=this.shape.colixes,f=this.vwr.shm.bsRenderableAtoms,c=f.nextSetBit(0);0<=c;c=f.nextSetBit(c+1)){var e=b[c];0d?this.g3d.drawDashedLineBits(8,4,a,b):this.g3d.fillCylinderBits(this.endcap,d,a,b);f&&null!=this.tickInfo&&(this.checkTickTemps(),this.tickAs.setT(a),this.tickBs.setT(b),this.drawTicks(d,!0))},"JU.P3,JU.P3,~N,~B");c(c$,"checkTickTemps",function(){null==this.tickA&&(this.tickA=new JU.P3,this.tickB=new JU.P3,this.tickAs=new JU.P3,this.tickBs= +new JU.P3)});c(c$,"drawTicks",function(a,b){Float.isNaN(this.tickInfo.first)&&(this.tickInfo.first=0);this.drawTicks2(this.tickInfo.ticks.x,8,a,!b?null:null==this.tickInfo.tickLabelFormats?v(-1,["%0.2f"]):this.tickInfo.tickLabelFormats);this.drawTicks2(this.tickInfo.ticks.y,4,a,null);this.drawTicks2(this.tickInfo.ticks.z,2,a,null)},"~N,~B");c(c$,"drawTicks2",function(a,b,d,f){if(0!=a&&(this.g3d.isAntialiased()&&(b*=2),this.vectorT2.set(this.tickBs.x,this.tickBs.y,0),this.vectorT.set(this.tickAs.x, +this.tickAs.y,0),this.vectorT2.sub(this.vectorT),!(50>this.vectorT2.length()))){var c=this.tickInfo.signFactor;this.vectorT.sub2(this.tickB,this.tickA);var e=this.vectorT.length();if(null!=this.tickInfo.scale)if(Float.isNaN(this.tickInfo.scale.x)){var j=this.vwr.getUnitCellInfo(0);Float.isNaN(j)||this.vectorT.set(this.vectorT.x/j,this.vectorT.y/this.vwr.getUnitCellInfo(1),this.vectorT.z/this.vwr.getUnitCellInfo(2))}else this.vectorT.set(this.vectorT.x*this.tickInfo.scale.x,this.vectorT.y*this.tickInfo.scale.y, +this.vectorT.z*this.tickInfo.scale.z);j=this.vectorT.length()+1E-4*a;if(!(jd&&(d=1);this.vectorT2.set(-this.vectorT2.y,this.vectorT2.x,0);this.vectorT2.scale(b/this.vectorT2.length());b=this.tickInfo.reference;null==b?(this.pointT3.setT(this.vwr.getBoundBoxCenter()), +603979809==this.vwr.g.axesMode&&this.pointT3.add3(1,1,1)):this.pointT3.setT(b);this.tm.transformPtScr(this.pointT3,this.pt2i);b=0.2>Math.abs(this.vectorT2.x/this.vectorT2.y);for(var r=!b,n=!b&&0>this.vectorT2.x,q=null!=f&&0=this.tickInfo.first&&(this.pointT2.setT(this.pointT),this.tm.transformPt3f(this.pointT2,this.pointT2),this.drawLine(w(Math.floor(this.pointT2.x)),w(Math.floor(this.pointT2.y)),C(h),B=w(Math.floor(this.pointT2.x+this.vectorT2.x)), +y=w(Math.floor(this.pointT2.y+this.vectorT2.y)),C(h),d),q&&(this.draw000||0!=k))){m[0]=Float.$valueOf(0==k?0:k*c);var s=JU.PT.sprintf(f[p%f.length],"f",m);this.drawString(B,y,C(h),4,n,b,r,w(Math.floor(this.pointT2.y)),s)}this.pointT.add(this.vectorT);k+=a;h+=e;p++}}}},"~N,~N,~N,~A");c(c$,"drawLine",function(a,b,d,f,c,e,j){return this.drawLine2(a,b,d,f,c,e,j)},"~N,~N,~N,~N,~N,~N,~N");c(c$,"drawLine2",function(a,b,d,f,c,e,j){this.pt0.set(a,b,d);this.pt1.set(f,c,e);if(this.dotsOrDashes)null!=this.dashDots&& +this.drawDashed(a,b,d,f,c,e,this.dashDots);else{if(0>j)return this.g3d.drawDashedLineBits(8,4,this.pt0,this.pt1),1;this.g3d.fillCylinderBits(2,j,this.pt0,this.pt1)}return w((j+1)/2)},"~N,~N,~N,~N,~N,~N,~N");c(c$,"drawString",function(a,b,d,f,c,e,j,k,h){if(null!=h){var r=this.font3d.stringWidth(h),n=this.font3d.getAscent();a=c?a-(w(f/2)+2+r):e?a-(w(f/2)+2+w(r/2)):a+(w(f/2)+2);c=b;c=j?c+w(n/2):0==k||kb&&(b=1);this.g3d.drawString(h,this.font3d,a,c,b,b,0)}},"~N,~N,~N,~N,~B,~B,~B,~N,~S"); +c(c$,"drawDashed",function(a,b,d,f,c,e,j){if(!(null==j||0>this.width)){var k=j[0];f-=a;c-=b;e-=d;var h=0,r=j===J.render.FontLineShapeRenderer.ndots,n=r||j===J.render.FontLineShapeRenderer.sixdots;if(n){var q=(f*f+c*c)/(this.width*this.width);r?(k=Math.sqrt(q)/1.5,h=C(k)+2):8>q?j=J.render.FontLineShapeRenderer.twodots:32>q&&(j=J.render.FontLineShapeRenderer.fourdots)}var q=j[1],B=j[2],y=this.colixA,m=0==B?this.colixB:this.colixA;0==h&&(h=j.length);for(var p=0,s=3;s=this.holdRepaint&&(this.holdRepaint=0,a&&(this.repaintPending=!0,this.repaintNow(b)))},"~B,~S");h(c$,"requestRepaintAndWait",function(a){var b=null;JV.Viewer.isJS&&!JV.Viewer.isSwingJS&&(b=self.Jmol&&Jmol.repaint?Jmol:null);if(null==b)try{this.repaintNow(a),JV.Viewer.isJS||this.wait(this.vwr.g.repaintWaitMs),this.repaintPending&&(JU.Logger.error("repaintManager requestRepaintAndWait timeout"), +this.repaintDone())}catch(d){if(D(d,InterruptedException))System.out.println("repaintManager requestRepaintAndWait interrupted thread="+Thread.currentThread().getName());else throw d;}else b.repaint(this.vwr.html5Applet,!1),this.repaintDone()},"~S");h(c$,"repaintIfReady",function(a){if(this.repaintPending)return!1;this.repaintPending=!0;0==this.holdRepaint&&this.repaintNow(a);return!0},"~S");c(c$,"repaintNow",function(){this.vwr.haveDisplay&&this.vwr.apiPlatform.repaint(this.vwr.display)},"~S");h(c$, +"repaintDone",function(){this.repaintPending=!1});h(c$,"clear",function(a){if(null!=this.renderers)if(0<=a)this.renderers[a]=null;else for(a=0;37>a;++a)this.renderers[a]=null},"~N");c(c$,"getRenderer",function(a){if(null!=this.renderers[a])return this.renderers[a];var b=JV.JC.getShapeClassName(a,!0)+"Renderer";if(null==(b=J.api.Interface.getInterface(b,this.vwr,"render")))return null;b.setViewerG3dShapeID(this.vwr,a);return this.renderers[a]=b},"~N");h(c$,"render",function(a,b,d,f){null==this.renderers&& +(this.renderers=Array(37));this.getAllRenderers();try{var c=this.vwr.getBoolean(603979934);a.renderBackground(null);if(d){this.bsTranslucent.clearAll();null!=f&&a.renderCrossHairs(f,this.vwr.getScreenWidth(),this.vwr.getScreenHeight(),this.vwr.tm.getNavigationOffset(),this.vwr.tm.navigationDepthPercent);var e=this.vwr.getRubberBandSelection();null!=e&&a.setC(this.vwr.cm.colixRubberband)&&a.drawRect(e.x,e.y,0,0,e.width,e.height);this.vwr.noFrankEcho=!0}f=null;for(e=0;37>e&&a.currentlyRendering;++e){var j= +this.shapeManager.getShape(e);null!=j&&(c&&(f="rendering "+JV.JC.getShapeClassName(e,!1),JU.Logger.startTimer(f)),(d||this.bsTranslucent.get(e))&&this.getRenderer(e).renderShape(a,b,j)&&this.bsTranslucent.set(e),c&&JU.Logger.checkTimer(f,!1))}a.renderAllStrings(null)}catch(k){if(D(k,Exception)){k.printStackTrace();if(this.vwr.async&&"Interface".equals(k.getMessage()))throw new NullPointerException;JU.Logger.error("rendering error? "+k)}else throw k;}},"JU.GData,JM.ModelSet,~B,~A");c(c$,"getAllRenderers", +function(){for(var a=!0,b=0;37>b;++b)null==this.shapeManager.getShape(b)||null!=this.getRenderer(b)||(a=this.repaintPending=!this.vwr.async);if(!a)throw new NullPointerException;});h(c$,"renderExport",function(a,b,d){this.shapeManager.finalizeAtoms(null,!0);a=this.vwr.initializeExporter(d);if(null==a)return JU.Logger.error("Cannot export "+d.get("type")),null;null==this.renderers&&(this.renderers=Array(37));this.getAllRenderers();d=null;try{var f=this.vwr.getBoolean(603979934);a.renderBackground(a); +for(var c=0;37>c;++c){var e=this.shapeManager.getShape(c);null!=e&&(f&&(d="rendering "+JV.JC.getShapeClassName(c,!1),JU.Logger.startTimer(d)),this.getRenderer(c).renderShape(a,b,e),f&&JU.Logger.checkTimer(d,!1))}a.renderAllStrings(a);d=a.finalizeOutput()}catch(j){if(D(j,Exception))j.printStackTrace(),JU.Logger.error("rendering error? "+j);else throw j;}return d},"JU.GData,JM.ModelSet,java.util.Map")});m("J.render");x(null,"J.render.ShapeRenderer",["JV.JC"],function(){c$=u(function(){this.shape=this.ms= +this.g3d=this.tm=this.vwr=null;this.exportType=this.mad=this.colix=this.shapeID=this.myVisibilityFlag=0;this.isExport=!1;t(this,arguments)},J.render,"ShapeRenderer");c(c$,"initRenderer",function(){});c(c$,"setViewerG3dShapeID",function(a,b){this.vwr=a;this.tm=a.tm;this.shapeID=b;this.myVisibilityFlag=JV.JC.getShapeVisibilityFlag(b);this.initRenderer()},"JV.Viewer,~N");c(c$,"renderShape",function(a,b,d){this.setup(a,b,d);a=this.render();this.exportType=0;this.isExport=!1;return a},"J.api.JmolRendererInterface,JM.ModelSet,J.shape.Shape"); +c(c$,"setup",function(a,b,d){this.g3d=a;this.ms=b;this.shape=d;this.exportType=a.getExportType();this.isExport=0!=this.exportType},"J.api.JmolRendererInterface,JM.ModelSet,J.shape.Shape");c(c$,"isVisibleForMe",function(a){return a.isVisible(this.myVisibilityFlag|9)},"JM.Atom")});m("J.render");x(["J.render.FontLineShapeRenderer","JU.BS","$.P3","$.V3"],"J.render.SticksRenderer","java.lang.Float JU.A4 $.M3 J.c.PAL JU.C $.Edge".split(" "),function(){c$=u(function(){this.showMultipleBonds=!1;this.multipleBondRadiusFactor= +this.multipleBondSpacing=0;this.useBananas=this.bondsPerp=!1;this.modeMultipleBond=0;this.isCartesian=!1;this.endcaps=0;this.hbondsSolid=this.bondsBackbone=this.hbondsBackbone=this.ssbondsBackbone=!1;this.bond=this.b=this.a=null;this.bondOrder=this.mag2d=this.dy=this.dx=this.zB=this.yB=this.xB=this.zA=this.yA=this.xA=0;this.slabByAtom=this.slabbing=this.isAntialiased=this.wireframeOnly=!1;this.bsForPass2=this.p2=this.p1=this.z=this.y=this.x=null;this.isPass2=!1;this.dyStep=this.dxStep=this.yAxis2= +this.xAxis2=this.yAxis1=this.xAxis1=this.rTheta=0;this.a4=this.rot=null;t(this,arguments)},J.render,"SticksRenderer",J.render.FontLineShapeRenderer);O(c$,function(){this.x=new JU.V3;this.y=new JU.V3;this.z=new JU.V3;this.p1=new JU.P3;this.p2=new JU.P3;this.bsForPass2=JU.BS.newN(64)});h(c$,"render",function(){var a=this.ms.bo;if(null==a)return!1;(this.isPass2=this.vwr.gdata.isPass2)||this.bsForPass2.clearAll();this.slabbing=this.tm.slabEnabled;this.slabByAtom=this.vwr.getBoolean(603979939);this.endcaps= +3;this.dashDots=this.vwr.getBoolean(603979893)?J.render.FontLineShapeRenderer.sixdots:J.render.FontLineShapeRenderer.dashes;this.isCartesian=1==this.exportType;this.getMultipleBondSettings(!1);this.wireframeOnly=!this.vwr.checkMotionRendering(1677721602);this.ssbondsBackbone=this.vwr.getBoolean(603979952);this.hbondsBackbone=this.vwr.getBoolean(603979852);this.bondsBackbone=(new Boolean(this.hbondsBackbone|this.ssbondsBackbone)).valueOf();this.hbondsSolid=this.vwr.getBoolean(603979854);this.isAntialiased= +this.g3d.isAntialiased();var b=!1;if(this.isPass2){if(!this.isExport)for(var d=this.bsForPass2.nextSetBit(0);0<=d;d=this.bsForPass2.nextSetBit(d+1))this.bond=a[d],this.renderBond()}else for(d=this.ms.bondCount;0<=--d;)this.bond=a[d],0!=(this.bond.shapeVisibilityFlags&this.myVisibilityFlag)&&this.renderBond()&&(b=!0,this.bsForPass2.set(d));return b});c(c$,"getMultipleBondSettings",function(a){this.useBananas=this.vwr.getBoolean(603979886)&&!a;this.multipleBondSpacing=a?0.15:this.vwr.getFloat(570425370); +this.multipleBondRadiusFactor=a?0.4:this.vwr.getFloat(570425369);this.bondsPerp=this.useBananas||0this.multipleBondRadiusFactor;this.useBananas&&(this.multipleBondSpacing=0>this.multipleBondSpacing?0.4*-this.multipleBondSpacing:this.multipleBondSpacing);this.multipleBondRadiusFactor=Math.abs(this.multipleBondRadiusFactor);0==this.multipleBondSpacing&&this.isCartesian&&(this.multipleBondSpacing=0.2);this.modeMultipleBond=this.vwr.g.modeMultipleBond;this.showMultipleBonds= +0!=this.multipleBondSpacing&&0!=this.modeMultipleBond&&this.vwr.getBoolean(603979928)},"~B");c(c$,"renderBond",function(){var a,b;this.a=a=this.bond.atom1;this.b=b=this.bond.atom2;var d=this.bond.order&-131073;this.bondsBackbone&&(this.ssbondsBackbone&&0!=(d&256)?(this.a=this.a.group.getLeadAtomOr(this.a),this.b=this.b.group.getLeadAtomOr(this.b)):this.hbondsBackbone&&JU.Edge.isOrderH(d)&&(this.a=this.a.group.getLeadAtomOr(this.a),this.b=this.b.group.getLeadAtomOr(this.b)));if(!this.isPass2&&(!this.a.isVisible(9)|| +!this.b.isVisible(9)||!this.g3d.isInDisplayRange(this.a.sX,this.a.sY)||!this.g3d.isInDisplayRange(this.b.sX,this.b.sY)))return!1;if(this.slabbing){var f=this.vwr.gdata.isClippedZ(this.a.sZ);if(f&&this.vwr.gdata.isClippedZ(this.b.sZ)||this.slabByAtom&&(f||this.vwr.gdata.isClippedZ(this.b.sZ)))return!1}this.zA=this.a.sZ;this.zB=this.b.sZ;if(1==this.zA||1==this.zB)return!1;this.colixA=a.colixAtom;this.colixB=b.colixAtom;2==((this.colix=this.bond.colix)&-30721)?(this.colix&=30720,this.colixA=JU.C.getColixInherited(this.colix| +this.vwr.cm.getColixAtomPalette(a,J.c.PAL.CPK.id),this.colixA),this.colixB=JU.C.getColixInherited(this.colix|this.vwr.cm.getColixAtomPalette(b,J.c.PAL.CPK.id),this.colixB)):(this.colixA=JU.C.getColixInherited(this.colix,this.colixA),this.colixB=JU.C.getColixInherited(this.colix,this.colixB));a=!1;if(!this.isExport&&!this.isPass2&&(b=!JU.C.renderPass2(this.colixA),f=!JU.C.renderPass2(this.colixB),!b||!f)){if(!b&&!f&&!a)return this.g3d.setC(!b?this.colixA:this.colixB),!0;a=!0}this.bondOrder=d&-131073; +if(0==(this.bondOrder&224)&&(0!=(this.bondOrder&256)&&(this.bondOrder&=-257),0!=(this.bondOrder&1023)&&(!this.showMultipleBonds||2==this.modeMultipleBond&&500=this.width)&&this.isAntialiased)this.width=3,this.asLineOnly=!1;switch(b){case -2:this.drawBond(0);this.getMultipleBondSettings(!1);break;case -1:this.drawDashed(this.xA,this.yA,this.zA,this.xB,this.yB,this.zB,J.render.FontLineShapeRenderer.hDashes);break;default:switch(this.bondOrder){case 4:this.bondOrder=2;d=this.multipleBondRadiusFactor; +0==d&&1d&&(this.multipleBondSpacing=0.3);this.drawBond(b);this.bondsPerp=!this.bondsPerp;this.bondOrder=2;this.drawBond(b>>2);this.bondsPerp=!this.bondsPerp;this.multipleBondSpacing=d;break;case 5:this.bondOrder=3;d=this.multipleBondRadiusFactor;0==d&&1d&&(this.multipleBondSpacing=0.2);this.drawBond(b);this.bondsPerp=!this.bondsPerp;this.bondOrder=2;this.multipleBondSpacing*= +1.5;this.drawBond(b>>3);this.bondsPerp=!this.bondsPerp;this.multipleBondSpacing=d;break;case 6:this.bondOrder=4;d=this.multipleBondRadiusFactor;0==d&&1d&&(this.multipleBondSpacing=0.15);this.drawBond(b);this.bondsPerp=!this.bondsPerp;this.bondOrder=2;this.multipleBondSpacing*=1.5;this.drawBond(b>>4);this.bondsPerp=!this.bondsPerp;this.multipleBondSpacing=d;break;default:this.drawBond(b)}}return a});c(c$,"drawBond",function(a){var b= +0!=(a&1);if(this.isCartesian&&1==this.bondOrder&&!b)this.g3d.drawBond(this.a,this.b,this.colixA,this.colixB,this.endcaps,this.mad,-1);else{var d=0==this.dx&&0==this.dy;if(!d||!this.asLineOnly||this.isCartesian){var f=1>=1;b=0!=(a&1);if(0>=--this.bondOrder)break;this.p1.add(this.y);this.p2.add(this.y);this.stepAxisCoordinates()}}else if(this.mag2d=Math.round(Math.sqrt(this.dx*this.dx+this.dy*this.dy)),this.resetAxisCoordinates(),this.isCartesian&&3==this.bondOrder)this.fillCylinder(this.colixA,this.colixB,this.endcaps,this.width,this.xAxis1,this.yAxis1,this.zA,this.xAxis2,this.yAxis2,this.zB),this.stepAxisCoordinates(),this.x.sub2(this.b,this.a),this.x.scale(0.05),this.p1.sub2(this.a, +this.x),this.p2.add2(this.b,this.x),this.g3d.drawBond(this.p1,this.p2,this.colixA,this.colixB,this.endcaps,this.mad,-2),this.stepAxisCoordinates(),this.fillCylinder(this.colixA,this.colixB,this.endcaps,this.width,this.xAxis1,this.yAxis1,this.zA,this.xAxis2,this.yAxis2,this.zB);else for(;;){0!=(a&1)?this.drawDashed(this.xAxis1,this.yAxis1,this.zA,this.xAxis2,this.yAxis2,this.zB,this.dashDots):this.fillCylinder(this.colixA,this.colixB,this.endcaps,this.width,this.xAxis1,this.yAxis1,this.zA,this.xAxis2, +this.yAxis2,this.zB);a>>=1;if(0>=--this.bondOrder)break;this.stepAxisCoordinates()}}}},"~N");c(c$,"resetAxisCoordinates",function(){var a=this.mag2d>>3;-1!=this.multipleBondSpacing&&0>this.multipleBondSpacing&&(a*=-this.multipleBondSpacing);a=this.width+a;this.dxStep=w(a*this.dy/this.mag2d);this.dyStep=w(a*-this.dx/this.mag2d);this.xAxis1=this.xA;this.yAxis1=this.yA;this.xAxis2=this.xB;this.yAxis2=this.yB;a=this.bondOrder-1;this.xAxis1-=w(this.dxStep*a/2);this.yAxis1-=w(this.dyStep*a/2);this.xAxis2-= +w(this.dxStep*a/2);this.yAxis2-=w(this.dyStep*a/2)});c(c$,"stepAxisCoordinates",function(){this.xAxis1+=this.dxStep;this.yAxis1+=this.dyStep;this.xAxis2+=this.dxStep;this.yAxis2+=this.dyStep});c(c$,"getAromaticDottedBondMask",function(){var a=this.b.findAromaticNeighbor(this.a.i);return null==a?1:0>this.dx*(a.sY-this.yA)-this.dy*(a.sX-this.xA)?2:1});c(c$,"drawBanana",function(a,b,d,f){this.g3d.addRenderer(553648145);this.vectorT.sub2(b,a);null==this.rot&&(this.rot=new JU.M3,this.a4=new JU.A4);this.a4.setVA(this.vectorT, +3.141592653589793*f/180);this.rot.setAA(this.a4);this.pointT.setT(a);this.pointT3.setT(b);this.pointT2.ave(a,b);this.rot.rotate2(d,this.vectorT);this.pointT2.add(this.vectorT);this.tm.transformPtScrT3(a,this.pointT);this.tm.transformPtScrT3(this.pointT2,this.pointT2);this.tm.transformPtScrT3(b,this.pointT3);a=Math.max(this.width,1);this.g3d.setC(this.colixA);this.g3d.fillHermite(5,a,a,a,this.pointT,this.pointT,this.pointT2,this.pointT3);this.g3d.setC(this.colixB);this.g3d.fillHermite(5,a,a,a,this.pointT, +this.pointT2,this.pointT3,this.pointT3)},"JM.Atom,JM.Atom,JU.V3,~N")});m("JS");x(["JS.T"],"JS.ContextToken",["java.util.Hashtable","JS.SV"],function(){c$=u(function(){this.name0=this.forVars=this.contextVariables=null;t(this,arguments)},JS,"ContextToken",JS.T);c$.newContext=c(c$,"newContext",function(a){a=a?JS.ContextToken.newCmd(1275335685,"{"):JS.ContextToken.newCmd(1275334681,"}");a.intValue=0;return 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null==this.colixes?0:this.colixes.length;if(null==this.colixes||b>this.colixes.length)this.colixes=JU.AU.ensureLengthShort(this.colixes,b),this.paletteIDs=JU.AU.ensureLengthByte(this.paletteIDs,b);null==this.bsColixSet&&(this.bsColixSet=JU.BS.newN(this.ac));return b},"~N,~N");c(c$,"setColixAndPalette",function(a,b,d){null==this.colixes&&this.checkColixLength(-1,this.ac);this.colixes[d]= +a=this.getColixI(a,b,d);this.bsColixSet.setBitTo(d,0!=a||0==this.shapeID);this.paletteIDs[d]=b},"~N,~N,~N");h(c$,"setAtomClickability",function(){if(this.isActive)for(var a=this.ac;0<=--a;){var b=this.atoms[a];null==b||(0==(b.shapeVisibilityFlags&this.vf)||this.ms.isAtomHidden(a))||b.setClickable(this.vf)}});c(c$,"getInfoAsString",function(){return null},"~N");h(c$,"getShapeState",function(){return null})});m("J.shape");x(["J.shape.AtomShape"],"J.shape.Balls",["JU.BS","J.c.PAL","JU.C"],function(){c$= 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0==a?JU.Elements.getBondingRadius(this.atomicAndIsotopeNumber,this.getFormalCharge()):a});c(c$,"getVolume",function(a,b){var d=null==b?this.userDefinedVanDerWaalRadius:NaN;Float.isNaN(d)&&(d=a.getVanderwaalsMarType(this.getElementNumber(),this.getVdwType(b))/ -1E3);var c=0;if(null!=this.bonds)for(var g=0;gd+j)){if(f+d<=j)return 0;j=d-(d*d+f*f-j*j)/(2*f);c-=1.0471975511965976*j*j*(3*d-j)}}return c+4.1887902047863905*d*d*d},"JV.Viewer,J.c.VDW");c(c$,"getCurrentBondCount",function(){return null==this.bonds?0:this.bonds.length}); -c(c$,"getRadius",function(){return Math.abs(this.madAtom/2E3)});h(c$,"getIndex",function(){return this.i});h(c$,"getAtomSite",function(){return this.atomSite});h(c$,"getGroupBits",function(a){this.group.setAtomBits(a)},"JU.BS");h(c$,"getAtomName",function(){return 0d)return!1;var f=this.sY-b;d-=g+f*f;if(0>d)return!1;if(null==c)return!0;var g=this.sZ,f=c.sZ,j=w(c.sD/2);if(ga?360+a:a}return this.group.getGroupParameter(b);case 1665140738:case 1112152075:return this.getRadius();case 1111490571:return a.antialiased?w(this.sX/2):this.sX;case 1111490572:return a.getScreenHeight()-(a.antialiased?w(this.sY/2):this.sY);case 1111490573:return a.antialiased?w(this.sZ/2):this.sZ;case 1113589787:return a.slm.isAtomSelected(this.i)?1:0;case 1111490575:return a.ms.getSurfaceDistanceMax(),this.getSurfaceDistance100()/ -100;case 1111492620:return this.getBfactor100()/100;case 1111490577:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"X",d);case 1111490578:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"Y",d);case 1111490579:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"Z",d);case 1648363544:return this.getVanderwaalsRadiusFloat(a,J.c.VDW.AUTO);case 1648361473:return b=this.getVibrationVector(),null==b?0:b.length()*a.getFloat(1648361473);case 1111492626:return this.getVib("x");case 1111492627:return this.getVib("y"); -case 1111492628:return this.getVib("z");case 1111490583:return this.getVib("X");case 1111490584:return 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-"setAtomCoord",function(a,b,d,c){if(!(0>a||a>=this.ac)){var g=this.at[a];g.set(b,d,c);this.fixTrajectory(g);this.taintAtom(a,2)}},"~N,~N,~N,~N");c(c$,"fixTrajectory",function(a){this.isTrajectory(a.mi)&&this.trajectory.fixAtom(a)},"JM.Atom");c(c$,"setAtomCoordRelative",function(a,b,d,c){if(!(0>a||a>=this.ac)){var g=this.at[a];g.add3(b,d,c);this.fixTrajectory(g);this.taintAtom(a,2)}},"~N,~N,~N,~N");c(c$,"setAtomsCoordRelative",function(a,b,d,c){if(null!=a)for(var g=a.nextSetBit(0);0<=g;g=a.nextSetBit(g+ -1))this.setAtomCoordRelative(g,b,d,c)},"JU.BS,~N,~N,~N");c(c$,"setAPa",function(a,b,d,c,g,f,j){var k=0;if(!(null!=f&&0==f.length||null==a)){for(var h=null!=f&&f.length==this.ac||null!=j&&j.length==this.ac,n=a.nextSetBit(0);0<=n;n=a.nextSetBit(n+1)){h&&(k=n);if(null!=f){if(k>=f.length)return;c=f[k++];if(Float.isNaN(c))continue;d=C(c)}else if(null!=j){if(k>=j.length)return;g=j[k++]}var m=this.at[n];switch(b){case 1086326786:this.setAtomName(n,g,!0);break;case 1086326785:this.setAtomType(n,g);break; -case 1086326788:this.setChainID(n,g);break;case 1094715393:this.setAtomNumber(n,d,!0);break;case 1094713365:this.setAtomSeqID(n,d);break;case 1111492609:case 1111492629:this.setAtomCoord(n,c,m.y,m.z);break;case 1111492610:case 1111492630:this.setAtomCoord(n,m.x,c,m.z);break;case 1111492611:case 1111492631:this.setAtomCoord(n,m.x,m.y,c);break;case 1111492626:case 1111492627:case 1111492628:this.setVibrationVector2(n,b,c);break;case 1111492612:case 1111492613:case 1111492614:m.setFractionalCoord(b, -c,!0);this.taintAtom(n,2);break;case 1111492615:case 1111492616:case 1111492617:m.setFractionalCoord(b,c,!1);this.taintAtom(n,2);break;case 1094715402:case 1086326789:this.setElement(m,d,!0);break;case 1631586315:this.resetPartialCharges();m.setFormalCharge(d);this.taintAtom(n,4);break;case 1113589786:this.setHydrophobicity(n,c);break;case 1128269825:2>c&&0.01c?c=0:16=c&&(null==this.atomNames&&(this.atomNames=Array(this.at.length)),this.atomNames[a]=b);d&&this.taintAtom(a,0)}},"~N,~S,~B");c(c$,"setAtomType",function(a,b){b.equals(this.at[a].getAtomType())||(null==this.atomTypes&&(this.atomTypes=Array(this.at.length)),this.atomTypes[a]= -b)},"~N,~S");c(c$,"setChainID",function(a,b){if(!b.equals(this.at[a].getChainIDStr())){var d=this.at[a].getChainID(),d=this.getChainBits(d);this.at[a].group.chain.chainID=this.vwr.getChainID(b,!0);for(var c=d.nextSetBit(0);0<=c;c=d.nextSetBit(c+1))this.taintAtom(c,16)}},"~N,~S");c(c$,"setAtomNumber",function(a,b,d){d&&b==this.at[a].getAtomNumber()||(null==this.atomSerials&&(this.atomSerials=B(this.at.length,0)),this.atomSerials[a]=b,d&&this.taintAtom(a,13))},"~N,~N,~B");c(c$,"setElement",function(a, -b,d){d&&a.getElementNumber()==b||(a.setAtomicAndIsotopeNumber(b),a.paletteID=J.c.PAL.CPK.id,a.colixAtom=this.vwr.cm.getColixAtomPalette(a,J.c.PAL.CPK.id),this.resetPartialCharges(),d&&this.taintAtom(a.i,3))},"JM.Atom,~N,~B");c(c$,"resetPartialCharges",function(){this.bsPartialCharges=this.partialCharges=null});c(c$,"setAtomResno",function(a,b){b!=this.at[a].getResno()&&(this.at[a].group.setResno(b),null==this.atomResnos&&(this.atomResnos=B(this.at.length,0)),this.atomResnos[a]=b,this.taintAtom(a, -15))},"~N,~N");c(c$,"setAtomSeqID",function(a,b){b!=this.at[a].getSeqID()&&(null==this.atomSeqIDs&&(this.atomSeqIDs=B(this.at.length,0)),this.atomSeqIDs[a]=b,this.taintAtom(a,14))},"~N,~N");c(c$,"setOccupancy",function(a,b,d){if(!(d&&b==this.at[a].getOccupancy100())){if(null==this.occupancies){if(100==b)return;this.occupancies=K(this.at.length,0);for(var c=this.at.length;0<=--c;)this.occupancies[c]=100}this.occupancies[a]=b;d&&this.taintAtom(a,7)}},"~N,~N,~B");c(c$,"setPartialCharge",function(a,b, -d){if(!Float.isNaN(b)){if(null==this.partialCharges){this.bsPartialCharges=new JU.BS;if(0==b)return;this.partialCharges=K(this.at.length,0)}this.bsPartialCharges.set(a);this.partialCharges[a]=b;d&&this.taintAtom(a,8)}},"~N,~N,~B");c(c$,"setBondingRadius",function(a,b){Float.isNaN(b)||b==this.at[a].getBondingRadius()||(null==this.bondingRadii&&(this.bondingRadii=K(this.at.length,0)),this.bondingRadii[a]=b,this.taintAtom(a,6))},"~N,~N");c(c$,"setBFactor",function(a,b,d){if(!(Float.isNaN(b)||d&&b==this.at[a].getBfactor100())){if(null== -this.bfactor100s){if(0==b)return;this.bfactor100s=U(this.at.length,0)}this.bfactor100s[a]=xa(100*(-327.68>b?-327.68:327.67b?-0.5:0.5));d&&this.taintAtom(a,9)}},"~N,~N,~B");c(c$,"setHydrophobicity",function(a,b){if(!(Float.isNaN(b)||b==this.at[a].getHydrophobicity())){if(null==this.hydrophobicities){this.hydrophobicities=K(this.at.length,0);for(var d=0;dm||m>=this.ac)){var p=this.at[m];j++;var y=n.length-1,u=JU.PT.parseFloat(n[y]);switch(a){case 17:g[m]= -u;f.set(m);continue;case 0:this.setAtomName(m,n[y],!0);break;case 13:this.setAtomNumber(m,C(u),!0);break;case 15:this.setAtomResno(m,C(u));break;case 14:this.setAtomSeqID(m,C(u));break;case 1:this.setAtomType(m,n[y]);break;case 16:this.setChainID(m,n[y]);break;case 3:p.setAtomicAndIsotopeNumber(C(u));p.paletteID=J.c.PAL.CPK.id;p.colixAtom=this.vwr.cm.getColixAtomPalette(p,J.c.PAL.CPK.id);break;case 4:p.setFormalCharge(C(u));break;case 5:this.setHydrophobicity(m,u);break;case 6:this.setBondingRadius(m, -u);break;case 8:this.setPartialCharge(m,u,!0);break;case 9:this.setBFactor(m,u,!0);break;case 10:p.setValence(C(u));break;case 11:p.setRadius(u)}this.taintAtom(m,a)}}17==a&&0d;d++)if(JM.AtomCollection.userSettableValues[d].equalsIgnoreCase(a))return d;return b?17:-1},"~S");c(c$,"getTaintedAtoms",function(a){return null==this.tainted?null:this.tainted[a]}, -"~N");c(c$,"taintAtoms",function(a,b){this.canSkipLoad=!1;if(this.preserveState)for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))this.taintAtom(d,b)},"JU.BS,~N");c(c$,"taintAtom",function(a,b){this.preserveState&&(null==this.tainted&&(this.tainted=Array(17)),null==this.tainted[b]&&(this.tainted[b]=JU.BS.newN(this.ac)),this.tainted[b].set(a));2==b&&this.taintModelCoord(a)},"~N,~N");c(c$,"taintModelCoord",function(a){a=this.am[this.at[a].mi];this.validateBspfForModel(a.trajectoryBaseIndex,!1);a.isBioModel&& -a.resetDSSR(!0);this.pointGroup=null},"~N");c(c$,"untaint",function(a,b){this.preserveState&&(null==this.tainted||null==this.tainted[b]||this.tainted[b].clear(a))},"~N,~N");c(c$,"setTaintedAtoms",function(a,b){if(this.preserveState){if(null==a){if(null==this.tainted)return;this.tainted[b]=null;return}null==this.tainted&&(this.tainted=Array(17));null==this.tainted[b]&&(this.tainted[b]=JU.BS.newN(this.ac));JU.BSUtil.copy2(a,this.tainted[b])}if(2==b){var d=a.nextSetBit(0);0<=d&&this.taintModelCoord(d)}}, -"JU.BS,~N");c(c$,"unTaintAtoms",function(a,b){if(!(null==this.tainted||null==this.tainted[b])){for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))this.tainted[b].clear(d);0>this.tainted[b].nextSetBit(0)&&(this.tainted[b]=null)}},"JU.BS,~N");c(c$,"findNearest2",function(a,b,d,c,g){for(var f=null,j=this.ac;0<=--j;)if(!(null!=c&&c.get(j))){var k=this.at[j];k.isClickable()&&this.isCursorOnTopOf(k,a,b,g,f)&&(f=k)}d[0]=f},"~N,~N,~A,JU.BS,~N");c(c$,"isCursorOnTopOf",function(a,b,d,c,g){return 1=u?1.1:10>=u?1:1.3;switch(u){case 7:case 8:q=1}if(!(d&&0d)return 0;var c=a.getFormalCharge(),g=a.getValence(),f=this.am[a.mi],f=f.isBioModel&&!f.isPdbWithMultipleBonds?a.group.getGroup3():null;null==this.aaRet&&(this.aaRet=B(5,0));this.aaRet[0]=d;this.aaRet[1]=c;this.aaRet[2]=0;this.aaRet[3]=a.getCovalentBondCount();this.aaRet[4]=null==f?0:g;null!=f&&0==c&&this.bioModelset.getAminoAcidValenceAndCharge(f,a.getAtomName(),this.aaRet)&&(d=this.aaRet[0],c=this.aaRet[1]);0!=c&&(d+=4==d?-Math.abs(c):c,this.aaRet[0]= -d);d-=g;return 0>d&&!b?0:d},"JM.Atom,~B");c(c$,"fixFormalCharges",function(a){for(var b=0,d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1)){var c=this.at[d],g=this.getMissingHydrogenCount(c,!0);if(0!=g){var f=c.getFormalCharge(),g=f-g;c.setFormalCharge(g);this.taintAtom(d,4);JU.Logger.debugging&&JU.Logger.debug("atom "+c+" formal charge "+f+" -> "+g);b++}}return b},"JU.BS");c(c$,"getHybridizationAndAxes",function(a,b,d,c,g,f,j){var k=0m||6c.angle(p[1])?a.cross(c,p[1]):a.cross(c,p[2]);a.normalize();var u=new JU.V3;2.984513>p[1].angle(p[2])?u.cross(p[1],p[2]):u.cross(c,p[2]);u.normalize();y=0.95<=Math.abs(u.dot(a))}var q=0==k.indexOf("sp3"), -r=!q&&0==k.indexOf("sp2"),s=!q&&!r&&0==k.indexOf("sp"),t=0==k.indexOf("p"),v=0==k.indexOf("lp"),u=null;if(f){if(0==n)return null;if(q){if(3d.length()){if(0<=k.indexOf("2")||0<=k.indexOf("3"))return null; -u="sp";break}u=q?"sp3":"sp2";if(0==k.indexOf("sp"))break;if(v){u="lp";break}u=k;break;default:if(y)u="sp2";else{if(v&&3==n){u="lp";break}u="sp3"}}if(null==u)return null;if(0==k.indexOf("p")){if("sp3"===u)return null}else if(0>k.indexOf(u))return null}if(md.length()){if(!k.equals("pz")){b=h[0];(g=3==b.getCovalentBondCount())||(g=3==(b=h[1]).getCovalentBondCount());if(g){this.getHybridizationAndAxes(b.i,0,c,d,"pz", -!1,j);k.equals("px")&&c.scale(-1);d.setT(p[0]);break}a.setT(JM.AtomCollection.vRef);d.cross(a,c);a.cross(d,c)}d.setT(c);c.cross(a,d);break}a.cross(d,c);if(r){c.cross(d,a);break}if(q||v){a.normalize();d.normalize();k.equals("lp")||(0==m||2==m?d.scaleAdd2(-1.2,a,d):d.scaleAdd2(1.2,a,d));c.cross(d,a);break}c.cross(d,a);d.setT(a);0>d.z&&(d.scale(-1),c.scale(-1));break;default:if(q)break;if(!y){c.cross(d,c);break}d.setT(a);0>d.z&&j&&(d.scale(-1),c.scale(-1))}c.normalize();d.normalize();return u},"~N,~N,JU.V3,JU.V3,~S,~B,~B"); -c(c$,"getHybridizationAndAxesD",function(a,b,d,c){c.startsWith("sp3d2")&&(c="d2sp3"+(5==c.length?"a":c.substring(5)));c.startsWith("sp3d")&&(c="dsp3"+(4==c.length?"a":c.substring(4)));if(c.equals("d2sp3")||c.equals("dsp3"))c+="a";var g=c.startsWith("dsp3"),f=c.charCodeAt(c.length-1)-97;if(null!=b&&(!g&&(5j&&null!=b)return null;for(var k=f>=j,h=w(j*(j-1)/2), -n=JU.AU.newInt2(h),m=B(3,0),h=B(3,h,0),p=0,y=0,u=0;ur?0:150<=r?2:1;h[r][m[r]]=p;m[r]++;n[p++]=B(-1,[u,q]);0==u&&1==r&&y++}p=100*m[0]+10*m[1]+m[2];if(null==b)switch(p){default:return"";case 0:return"";case 1:return"linear";case 100:case 10:return"bent";case 111:case 201:return"T-shaped";case 30:case 120:case 210:case 300:return 162b)return null;b=Array(c);if(0c)d.set(a);else if(8==(g=this.at[a]).getElementNumber()&&2==g.getCovalentBondCount()){for(var c=g.bonds,j=0,k=c.length;0<=--k&&3>j;)if(c[k].isCovalent()&&1==(f=c[k].getOtherAtom(g)).getElementNumber())b[j++%2]=f.i;2==j&&(d.set(b[1]),d.set(b[0]),d.set(a))}return d;case 1073742355:for(a=this.ac;0<=--a;)this.isAltLoc(this.at[a].altloc,b)&&d.set(a);return d;case 1073742356:g=b.toUpperCase();0<=g.indexOf("\\?")&&(g=JU.PT.rep(g,"\\?","\u0001")); -(f=g.startsWith("?*"))&&(g=g.substring(1));for(a=this.ac;0<=--a;)this.isAtomNameMatch(this.at[a],g,f,f)&&d.set(a);return d;case 1073742357:return JU.BSUtil.copy(this.getChainBits(c));case 1073742360:return this.getSpecName(b);case 1073742361:for(a=this.ac;0<=--a;)this.at[a].group.groupID==c&&d.set(a);return d;case 1073742362:return JU.BSUtil.copy(this.getSeqcodeBits(c,!0));case 5:for(a=this.ac;0<=--a;)this.at[a].group.getInsCode()==c&&d.set(a);return d;case 1296041986:for(a=this.ac;0<=--a;)this.at[a].getSymOp()== -c&&d.set(a);return d}f=b.nextSetBit(0);if(0>f)return d;switch(a){case 1094717454:g=JU.BSUtil.copy(b);for(a=f;0<=a;a=g.nextSetBit(a+1))d.or(this.am[this.at[a].mi].bsAtoms),g.andNot(d);return d;case 1086326788:g=JU.BSUtil.copy(b);for(a=f;0<=a;a=g.nextSetBit(a+1))this.at[a].group.chain.setAtomBits(d),g.andNot(d);return d;case 1086326789:g=new JU.BS;for(a=f;0<=a;a=b.nextSetBit(a+1))g.set(this.at[a].getElementNumber());for(a=this.ac;0<=--a;)g.get(this.at[a].getElementNumber())&&d.set(a);return d;case 1086324742:g= -JU.BSUtil.copy(b);for(a=f;0<=a;a=g.nextSetBit(a+1))this.at[a].group.setAtomBits(d),g.andNot(d);return d;case 1094713366:g=new JU.BS;for(a=f;0<=a;a=b.nextSetBit(a+1))g.set(this.at[a].atomSite);for(a=this.ac;0<=--a;)g.get(this.at[a].atomSite)&&d.set(a);return d}JU.Logger.error("MISSING getAtomBits entry for "+JS.T.nameOf(a));return d},"~N,~O,JU.BS");c(c$,"getChainBits",function(a){var b=this.vwr.getBoolean(603979822);0<=a&&(300>a&&!b)&&(a=this.chainToUpper(a));for(var d=new JU.BS,c=JU.BS.newN(this.ac), -g,f=c.nextClearBit(0);fg&&a==this.chainToUpper(g)?(j.setAtomBits(d),c.or(d)):j.setAtomBits(c)}return d},"~N");c(c$,"chainToUpper",function(a){return 97<=a&&122>=a?a-32:256<=a&&300>a?a-191:a},"~N");c(c$,"isAltLoc",function(a,b){if(null==b)return"\x00"==a;if(1!=b.length)return!1;var d=b.charAt(0);return"*"==d||"?"==d&&"\x00"!=a||a==d},"~S,~S");c(c$,"getSeqcodeBits",function(a,b){var d=new JU.BS,c=JM.Group.getSeqNumberFor(a), -g=2147483647!=c,f=!0,j=JM.Group.getInsertionCodeChar(a);switch(j){case "?":for(var k=this.ac;0<=--k;){var h=this.at[k].group.seqcode;if((!g||c==JM.Group.getSeqNumberFor(h))&&0!=JM.Group.getInsertionCodeFor(h))d.set(k),f=!1}break;default:for(k=this.ac;0<=--k;)if(h=this.at[k].group.seqcode,a==h||!g&&a==JM.Group.getInsertionCodeFor(h)||"*"==j&&c==JM.Group.getSeqNumberFor(h))d.set(k),f=!1}return!f||b?d:null},"~N,~B");c(c$,"getIdentifierOrNull",function(a){var b=this.getSpecNameOrNull(a,!1);0<=a.indexOf("\\?")&& -(a=JU.PT.rep(a,"\\?","\u0001"));return null!=b||0a&&0.1>=f&&f>=a||0==a&&0.01>Math.abs(f))&&d.set(g.i)}return d},"~N,JU.P4");c(c$,"clearVisibleSets",function(){this.haveBSClickable=this.haveBSVisible=!1});c(c$,"getAtomsInFrame",function(a){this.clearVisibleSets();a.clearAll();for(var b=this.ac;0<=--b;)this.at[b].isVisible(1)&& -a.set(b)},"JU.BS");c(c$,"getVisibleSet",function(a){if(a)this.vwr.setModelVisibility(),this.vwr.shm.finalizeAtoms(null,!0);else if(this.haveBSVisible)return this.bsVisible;this.bsVisible.clearAll();for(a=this.ac;0<=--a;)this.at[a].checkVisible()&&this.bsVisible.set(a);null!=this.vwr.shm.bsSlabbedInternal&&this.bsVisible.andNot(this.vwr.shm.bsSlabbedInternal);this.haveBSVisible=!0;return this.bsVisible},"~B");c(c$,"getClickableSet",function(a){if(a)this.vwr.setModelVisibility();else if(this.haveBSClickable)return this.bsClickable; -this.bsClickable.clearAll();for(a=this.ac;0<=--a;)this.at[a].isClickable()&&this.bsClickable.set(a);this.haveBSClickable=!0;return this.bsClickable},"~B");c(c$,"isModulated",function(a){return null!=this.bsModulated&&this.bsModulated.get(a)},"~N");c(c$,"deleteModelAtoms",function(a,b,d){this.at=JU.AU.deleteElements(this.at,a,b);this.ac=this.at.length;for(var c=a;ca;a++)JU.BSUtil.deleteBits(this.tainted[a],d)},"~N,~N,JU.BS");c(c$,"getAtomIdentityInfo",function(a,b,d){b.put("_ipt",Integer.$valueOf(a));b.put("atomIndex",Integer.$valueOf(a));b.put("atomno",Integer.$valueOf(this.at[a].getAtomNumber()));b.put("info",this.getAtomInfo(a,null,d)); -b.put("sym",this.at[a].getElementSymbol())},"~N,java.util.Map,JU.P3");c(c$,"getAtomTensorList",function(a){return 0>a||null==this.atomTensorList||a>=this.atomTensorList.length?null:this.atomTensorList[a]},"~N");c(c$,"deleteAtomTensors",function(a){if(null!=this.atomTensors){for(var b=new JU.Lst,d,c=this.atomTensors.keySet().iterator();c.hasNext()&&((d=c.next())||1);){for(var g=this.atomTensors.get(d),f=g.size();0<=--f;){var j=g.get(f);(a.get(j.atomIndex1)||0<=j.atomIndex2&&a.get(j.atomIndex2))&&g.removeItemAt(f)}0== -g.size()&&b.addLast(d)}for(f=b.size();0<=--f;)this.atomTensors.remove(b.get(f))}},"JU.BS");c(c$,"setCapacity",function(a){this.atomCapacity+=a},"~N");c(c$,"setAtomTensors",function(a,b){if(!(null==b||0==b.size())){null==this.atomTensors&&(this.atomTensors=new java.util.Hashtable);null==this.atomTensorList&&(this.atomTensorList=Array(this.at.length));this.atomTensorList=JU.AU.ensureLength(this.atomTensorList,this.at.length);this.atomTensorList[a]=JM.AtomCollection.getTensorList(b);for(var d=b.size();0<= ---d;){var c=b.get(d);c.atomIndex1=a;c.atomIndex2=-1;c.modelIndex=this.at[a].mi;this.addTensor(c,c.type);null!=c.altType&&this.addTensor(c,c.altType)}}},"~N,JU.Lst");c(c$,"addTensor",function(a,b){b=b.toLowerCase();var d=this.atomTensors.get(b);null==d&&(this.atomTensors.put(b,d=new JU.Lst),d.ensureCapacity(this.atomCapacity));d.addLast(a)},"JU.Tensor,~S");c$.getTensorList=c(c$,"getTensorList",function(a){for(var b=-1,d=!1,c=a.size(),g=c;0<=--g;){var f=a.get(g);f.forThermalEllipsoid?b=g:2==f.iType&& -(d=!0)}var j=Array((0<=b||!d?0:1)+c);if(0<=b&&(j[0]=a.get(b),1==a.size()))return j;if(d){b=0;for(g=c;0<=--g;)f=a.get(g),f.forThermalEllipsoid||(j[++b]=f)}else for(g=0;ga||a>=this.ac?null:this.at[a].getUnitCell(),c=null!=b&&Float.isNaN(b.x);return null==d?new JU.Lst: -d.generateCrystalClass(c?null:null!=b?b:this.at[a])},"~N,JU.P3");c$.$AtomCollection$AtomSorter$=function(){M(self.c$);c$=v(function(){X(this,arguments);s(this,arguments)},JM.AtomCollection,"AtomSorter",null,java.util.Comparator);h(c$,"compare",function(a,b){return a.i>b.i?1:a.if?-1:c;if(this.isVdw=null!=j)this.radiusData=j,this.atoms=a.at,this.vwr=a.vwr,f=j.factorType===J.atomdata.RadiusData.EnumType.OFFSET?5+j.value:5*j.value,this.vdw1=this.atoms[c].getVanderwaalsRadiusFloat(this.vwr, -j.vdwType);this.checkGreater=this.isGreaterOnly&&2147483647!=c;this.setCenter(g,f)}},"JM.ModelSet,~N,~N,~N,JU.T3,~N,J.atomdata.RadiusData");h(c$,"setCenter",function(a,b){this.setCenter2(a,b)},"JU.T3,~N");c(c$,"setCenter2",function(a,b){null!=this.cubeIterator&&(this.cubeIterator.initialize(a,b,this.hemisphereOnly),this.distanceSquared=b*b)},"JU.T3,~N");h(c$,"hasNext",function(){return this.hasNext2()});c(c$,"hasNext2",function(){if(0<=this.atomIndex)for(;this.cubeIterator.hasMoreElements();){var a= -this.cubeIterator.nextElement();if((this.iNext=a.i)!=this.atomIndex&&(!this.checkGreater||this.iNext>this.atomIndex)&&(null==this.bsSelected||this.bsSelected.get(this.iNext)))return!0}else if(this.cubeIterator.hasMoreElements())return a=this.cubeIterator.nextElement(),this.iNext=a.i,!0;this.iNext=-1;return!1});h(c$,"next",function(){return this.iNext-this.zeroBase});h(c$,"foundDistance2",function(){return null==this.cubeIterator?-1:this.cubeIterator.foundDistance2()});h(c$,"addAtoms",function(a){for(var b;this.hasNext();)if(0<= -(b=this.next())){var d;if(this.isVdw){d=this.atoms[b].getVanderwaalsRadiusFloat(this.vwr,this.radiusData.vdwType)+this.vdw1;switch(this.radiusData.factorType){case J.atomdata.RadiusData.EnumType.OFFSET:d+=2*this.radiusData.value;break;case J.atomdata.RadiusData.EnumType.FACTOR:d*=this.radiusData.value}d*=d}else d=this.distanceSquared;this.foundDistance2()<=d&&a.set(b)}},"JU.BS");h(c$,"release",function(){null!=this.cubeIterator&&(this.cubeIterator.release(),this.cubeIterator=null)});h(c$,"getPosition", -function(){return null})});r("JM");x(["JM.AtomIteratorWithinModel"],"JM.AtomIteratorWithinModelSet",null,function(){c$=v(function(){this.center=this.bsModels=null;this.distance=0;s(this,arguments)},JM,"AtomIteratorWithinModelSet",JM.AtomIteratorWithinModel);t(c$,function(a){H(this,JM.AtomIteratorWithinModelSet,[]);this.bsModels=a},"JU.BS");h(c$,"setCenter",function(a,b){this.center=a;this.distance=b;this.set(0)},"JU.T3,~N");c(c$,"set",function(a){if(0>(this.modelIndex=this.bsModels.nextSetBit(a))|| -null==(this.cubeIterator=this.bspf.getCubeIterator(this.modelIndex)))return!1;this.setCenter2(this.center,this.distance);return!0},"~N");h(c$,"hasNext",function(){return this.hasNext2()?!0:!this.set(this.modelIndex+1)?!1:this.hasNext()})});r("JM");x(["JU.Edge","JV.JC"],"JM.Bond",["JU.C"],function(){c$=v(function(){this.atom2=this.atom1=null;this.shapeVisibilityFlags=this.colix=this.mad=0;s(this,arguments)},JM,"Bond",JU.Edge);t(c$,function(a,b,d,c,g){this.atom1=a;this.atom2=b;this.colix=g;this.setOrder(d); -this.setMad(c)},"JM.Atom,JM.Atom,~N,~N,~N");c(c$,"setMad",function(a){this.mad=a;this.setShapeVisibility(0!=a)},"~N");c(c$,"setShapeVisibility",function(a){0!=(this.shapeVisibilityFlags&JM.Bond.myVisibilityFlag)!=a&&(this.atom1.addDisplayedBond(JM.Bond.myVisibilityFlag,a),this.atom2.addDisplayedBond(JM.Bond.myVisibilityFlag,a),this.shapeVisibilityFlags=a?this.shapeVisibilityFlags|JM.Bond.myVisibilityFlag:this.shapeVisibilityFlags&~JM.Bond.myVisibilityFlag)},"~B");c(c$,"getIdentity",function(){return this.index+ -1+" "+JU.Edge.getBondOrderNumberFromOrder(this.order)+" "+this.atom1.getInfo()+" -- "+this.atom2.getInfo()+" "+this.atom1.distance(this.atom2)});h(c$,"isCovalent",function(){return 0!=(this.order&1023)});h(c$,"isHydrogen",function(){return JU.Edge.isOrderH(this.order)});c(c$,"isStereo",function(){return 0!=(this.order&1024)});c(c$,"isPartial",function(){return 0!=(this.order&224)});c(c$,"isAromatic",function(){return 0!=(this.order&512)});c(c$,"getEnergy",function(){return 0});c(c$,"getValence",function(){return!this.isCovalent()? -0:this.isPartial()||this.is(515)?1:this.order&7});c(c$,"deleteAtomReferences",function(){null!=this.atom1&&this.atom1.deleteBond(this);null!=this.atom2&&this.atom2.deleteBond(this);this.atom1=this.atom2=null});c(c$,"setTranslucent",function(a,b){this.colix=JU.C.getColixTranslucent3(this.colix,a,b)},"~B,~N");c(c$,"setOrder",function(a){16==this.atom1.getElementNumber()&&16==this.atom2.getElementNumber()&&(a|=256);512==a&&(a=515);this.order=a|this.order&131072},"~N");h(c$,"getAtomIndex1",function(){return this.atom1.i}); -h(c$,"getAtomIndex2",function(){return this.atom2.i});h(c$,"getCovalentOrder",function(){return JU.Edge.getCovalentBondOrder(this.order)});c(c$,"getOtherAtom",function(a){return this.atom1===a?this.atom2:this.atom2===a?this.atom1:null},"JM.Atom");c(c$,"is",function(a){return(this.order&-131073)==a},"~N");h(c$,"getOtherNode",function(a){return this.atom1===a?this.atom2:this.atom2===a||null==a?this.atom1:null},"JU.SimpleNode");c(c$,"setAtropisomerOptions",function(a,b){var d=b.get(this.atom1.i),c=d? -b:a,d=d?a:b,g,f=2147483647,j=this.atom1.bonds;for(g=0;g=j.length||2d&&0c&&200>this.numCached[c]&&(this.freeBonds[c][this.numCached[c]++]=b)}return d},"JM.Bond,~A");c(c$,"addHBond",function(a,b,d,c){this.bondCount== -this.bo.length&&(this.bo=JU.AU.arrayCopyObject(this.bo,this.bondCount+250));return this.setBond(this.bondCount++,this.bondMutually(a,b,d,1,c)).index},"JM.Atom,JM.Atom,~N,~N");c(c$,"deleteAllBonds2",function(){this.vwr.setShapeProperty(1,"reset",null);for(var a=this.bondCount;0<=--a;)this.bo[a].deleteAtomReferences(),this.bo[a]=null;this.bondCount=0});c(c$,"getDefaultMadFromOrder",function(a){return JU.Edge.isOrderH(a)?1:32768==a?w(Math.floor(2E3*this.vwr.getFloat(570425406))):this.defaultCovalentMad}, -"~N");c(c$,"deleteConnections",function(a,b,d,c,g,f,j){var k=0>a,h=0>b,n=k||h;a=this.fixD(a,k);b=this.fixD(b,h);var m=new JU.BS,p=0,y=d|=131072;!j&&JU.Edge.isOrderH(d)&&(d=30720);if(f)f=c;else{f=new JU.BS;for(var u=c.nextSetBit(0);0<=u;u=c.nextSetBit(u+1)){var q=this.at[u];if(null!=q.bonds)for(var r=q.bonds.length;0<=--r;)g.get(q.getBondedAtomIndex(r))&&f.set(q.bonds[r].index)}}for(u=f.nextSetBit(0);u=a*d:k>=d)&&(f?j<=a*c:k<=c)):k>=d&&k<=c},"JM.Atom,JM.Atom,~N,~N,~B,~B,~B");c(c$,"dBm",function(a,b){this.deleteBonds(a,b)},"JU.BS,~B");c(c$,"dBb",function(a,b){var d=a.nextSetBit(0); -if(!(0>d)){this.resetMolecules();for(var c=-1,g=a.cardinality(),f=d;f=d;)this.bo[c]=null;this.bondCount=d;d=this.vwr.getShapeProperty(1,"sets");if(null!=d)for(c=0;c=a.atom1.getCovalentBondCount()&&3>=a.atom2.getCovalentBondCount(); -default:return!1}},"JM.Bond");c(c$,"assignAromaticMustBeSingle",function(a){var b=a.getElementNumber();switch(b){case 6:case 7:case 8:case 16:break;default:return!0}var d=a.getValence();switch(b){case 6:return 4==d;case 7:return a.group.getNitrogenAtom()===a||3==d&&1>a.getFormalCharge();case 8:return a.group.getCarbonylOxygenAtom()!==a&&2==d&&1>a.getFormalCharge();case 16:return 5==a.group.groupID||2==d&&1>a.getFormalCharge()}return!1},"JM.Atom");c(c$,"assignAromaticNandO",function(a){for(var b,d= -null==a,c=d?this.bondCount-1:a.nextSetBit(0);0<=c;c=d?c-1:a.nextSetBit(c+1))if(b=this.bo[c],b.is(513)){var g,f=b.atom2,j,k=f.getElementNumber();7==k||8==k?(j=k,g=f,f=b.atom1,k=f.getElementNumber()):(g=b.atom1,j=g.getElementNumber());if(!(7!=j&&8!=j)){var h=g.getValence();if(!(0>h)){var n=g.getCovalentBondCount();g=g.getFormalCharge();switch(j){case 7:3==h&&(3==n&&1>g&&6==k&&3==f.getValence())&&b.setOrder(514);break;case 8:1==h&&(0==g&&(14==k||16==k))&&b.setOrder(514)}}}}},"JU.BS");c(c$,"getAtomBitsMDb", -function(a,b){var d=new JU.BS;switch(a){default:return this.getAtomBitsMDa(a,b,d);case 1677721602:for(var c=b.nextSetBit(0);0<=c;c=b.nextSetBit(c+1))d.set(this.bo[c].atom1.i),d.set(this.bo[c].atom2.i);return d;case 1073742331:for(c=this.bondCount;0<=--c;)this.bo[c].isAromatic()&&(d.set(this.bo[c].atom1.i),d.set(this.bo[c].atom2.i));return d}},"~N,~O");c(c$,"assignBond",function(a,b){var d=b.charCodeAt(0)-48,c=this.bo[a];this.clearDB(c.atom1.i);switch(b){case "0":case "1":case "2":case "3":break;case "p":case "m":d= -JU.Edge.getBondOrderNumberFromOrder(c.getCovalentOrder()).charCodeAt(0)-48+("p"==b?1:-1);3d&&(d=3);break;default:return null}var g=new JU.BS;try{if(0==d){var f=new JU.BS;f.set(c.index);g.set(c.atom1.i);g.set(c.atom2.i);this.dBm(f,!1);return g}c.setOrder(d|131072);1!=c.atom1.getElementNumber()&&1!=c.atom2.getElementNumber()&&(this.removeUnnecessaryBonds(c.atom1,!1),this.removeUnnecessaryBonds(c.atom2,!1));g.set(c.atom1.i);g.set(c.atom2.i)}catch(j){if(D(j,Exception))JU.Logger.error("Exception in seBondOrder: "+ -j.toString());else throw j;}return g},"~N,~S");c(c$,"removeUnnecessaryBonds",function(a,b){var d=new JU.BS,c=new JU.BS,g=a.bonds;if(null!=g){for(var f=0;fb?f.clear(k):d&&0==c&&f.set(k);return f}, -"~N,~N,~N,JU.BS");F(c$,"BOND_GROWTH_INCREMENT",250,"MAX_BONDS_LENGTH_TO_CACHE",5,"MAX_NUM_TO_CACHE",200)});r("JM");I(JM,"BondIterator");r("JM");x(["JM.BondIterator"],"JM.BondIteratorSelected",null,function(){c$=v(function(){this.bonds=null;this.iBond=this.bondType=this.bondCount=0;this.bsSelected=null;this.bondSelectionModeOr=!1;s(this,arguments)},JM,"BondIteratorSelected",null,JM.BondIterator);t(c$,function(a,b,d,c,g){this.bonds=a;this.bondCount=b;this.bondType=d;this.bsSelected=c;this.bondSelectionModeOr= -g},"~A,~N,~N,JU.BS,~B");h(c$,"hasNext",function(){if(131071==this.bondType)return this.iBond=this.bsSelected.nextSetBit(this.iBond),0<=this.iBond&&this.iBondthis.chainID?""+String.fromCharCode(this.chainID):this.model.ms.vwr.getChainIDStr(this.chainID)});c(c$,"calcSelectedGroupsCount",function(a){for(var b=this.selectedGroupCount=0;b=a.length?0:a[this.i];return 0==a?JU.Elements.getBondingRadius(this.atomicAndIsotopeNumber,this.getFormalCharge()):a});c(c$,"getVolume",function(a,b){var d=null==b?this.userDefinedVanDerWaalRadius:NaN;Float.isNaN(d)&&(d=a.getVanderwaalsMarType(this.getElementNumber(), +this.getVdwType(b))/1E3);var c=0;if(null!=this.bonds)for(var g=0;gd+j)){if(e+d<=j)return 0;j=d-(d*d+e*e-j*j)/(2*e);c-=1.0471975511965976*j*j*(3*d-j)}}return c+4.1887902047863905*d*d*d},"JV.Viewer,J.c.VDW");c(c$,"getCurrentBondCount",function(){return null== +this.bonds?0:this.bonds.length});c(c$,"getRadius",function(){return Math.abs(this.madAtom/2E3)});h(c$,"getIndex",function(){return this.i});h(c$,"getAtomSite",function(){return this.atomSite});h(c$,"getGroupBits",function(a){this.group.setAtomBits(a)},"JU.BS");h(c$,"getAtomName",function(){return 0d)return!1;var e=this.sY-b;d-=g+e*e;if(0>d)return!1;if(null==c)return!0;var g=this.sZ,e=c.sZ,j=w(c.sD/2);if(ga?360+a:a}return this.group.getGroupParameter(b);case 1665140738:case 1112152075:return this.getRadius();case 1111490571:return a.antialiased?w(this.sX/2):this.sX;case 1111490572:return a.getScreenHeight()-(a.antialiased? +w(this.sY/2):this.sY);case 1111490573:return a.antialiased?w(this.sZ/2):this.sZ;case 1113589787:return a.slm.isAtomSelected(this.i)?1:0;case 1111490575:return a.ms.getSurfaceDistanceMax(),this.getSurfaceDistance100()/100;case 1111492620:return this.getBfactor100()/100;case 1111490577:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"X",d);case 1111490578:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"Y",d);case 1111490579:return this.getFractionalUnitCoord(!a.g.legacyJavaFloat,"Z", +d);case 1648363544:return this.getVanderwaalsRadiusFloat(a,J.c.VDW.AUTO);case 1648361473:return b=this.getVibrationVector(),null==b?0:b.length()*a.getFloat(1648361473);case 1111492626:return this.getVib("x");case 1111492627:return this.getVib("y");case 1111492628:return this.getVib("z");case 1111490583:return this.getVib("X");case 1111490584:return this.getVib("Y");case 1111490585:return this.getVib("Z");case 1111490586:return this.getVib("O");case 1111490580:return this.getVib("1");case 1111490581:return this.getVib("2"); +case 1111490582:return this.getVib("3");case 1312817669:return this.getVolume(a,J.c.VDW.AUTO);case 1145047051:case 1145047053:case 1145045006:case 1145047052:case 1145047055:case 1145045008:case 1145047050:return a=this.atomPropertyTuple(a,b,d),null==a?-1:a.length()}return this.atomPropertyInt(b)},"JV.Viewer,~N,JU.P3");c(c$,"getVib",function(a){return this.group.chain.model.ms.getVibCoord(this.i,a)},"~S");c(c$,"getNominalMass",function(){var a=this.getIsotopeNumber();return 0>4;0==b&&(1>9;return JV.JC.getCIPRuleName(a+1)});h(c$,"setCIPChirality",function(a){this.formalChargeAndFlags=this.formalChargeAndFlags&-4081|a<<4},"~N");h(c$,"getCIPChiralityCode",function(){return(this.formalChargeAndFlags&496)>>4});h(c$,"getInsertionCode",function(){return this.group.getInsertionCode()});c(c$, +"atomPropertyTuple",function(a,b,d){switch(b){case 1073742329:return JU.P3.newP(this);case 1145047051:return this.getFractionalCoordPt(!a.g.legacyJavaFloat,!1,d);case 1145047053:return this.getFractionalCoordPt(!a.g.legacyJavaFloat,!1,d);case 1145045006:return this.group.chain.model.isJmolDataFrame?this.getFractionalCoordPt(!a.g.legacyJavaFloat,!1,d):this.getFractionalUnitCoordPt(!a.g.legacyJavaFloat,!1,d);case 1145047052:return JU.P3.new3(a.antialiased?w(this.sX/2):this.sX,a.getScreenHeight()-(a.antialiased? +w(this.sY/2):this.sY),a.antialiased?w(this.sZ/2):this.sZ);case 1145047055:return this.getVibrationVector();case 1145045008:return a=this.getModulation(),null==a?null:a.getV3();case 1145047050:return this;case 1765808134:return JU.CU.colorPtFromInt(this.group.chain.model.ms.vwr.gdata.getColorArgbOrGray(this.colixAtom),d)}return null},"JV.Viewer,~N,JU.P3");h(c$,"getOffsetResidueAtom",function(a,b){return this.group.getAtomIndex(a,b)},"~S,~N");h(c$,"isCrossLinked",function(a){return this.group.isCrossLinked(a.group)}, +"JU.Node");h(c$,"getCrossLinkVector",function(a,b,d){return this.group.getCrossLinkVector(a,b,d)},"JU.Lst,~B,~B");h(c$,"toString",function(){return this.getInfo()});h(c$,"findAtomsLike",function(a){return this.group.chain.model.ms.vwr.getAtomBitSet(a)},"~S");c(c$,"getUnitID",function(a){var b=this.group.chain.model;return b.isBioModel?b.getUnitID(this,a):""},"~N");h(c$,"getFloatProperty",function(a){a=this.group.chain.model.ms.vwr.getDataObj(a,null,1);var b=NaN;if(null!=a)try{b=a[this.i]}catch(d){if(!D(d, +Exception))throw d;}return b},"~S");h(c$,"modelIsRawPDB",function(){var a=this.group.chain.model;return a.isBioModel&&!a.isPdbWithMultipleBonds&&0==a.hydrogenCount});G(c$,"ATOM_INFRAME",1,"ATOM_VISSET",2,"ATOM_VISIBLE",4,"ATOM_NOTHIDDEN",8,"ATOM_NOFLAGS",-64,"ATOM_INFRAME_NOTHIDDEN",9,"ATOM_SHAPE_VIS_MASK",-10,"RADIUS_MAX",16,"RADIUS_GLOBAL",16.1,"MAD_GLOBAL",32200,"CHARGE_OFFSET",24,"FLAG_MASK",15,"VIBRATION_VECTOR_FLAG",1,"IS_HETERO_FLAG",2,"CIP_CHIRALITY_OFFSET",4,"CIP_CHIRALITY_MASK",496,"CIP_CHIRALITY_RULE_OFFSET", +9,"CIP_CHIRALITY_RULE_MASK",3584,"CIP_MASK",4080)});m("JM");x(["JU.V3"],"JM.AtomCollection","java.lang.Float java.util.Arrays $.Hashtable JU.A4 $.AU $.BS $.Lst $.M3 $.Measure $.P3 $.PT J.api.Interface $.JmolModulationSet J.atomdata.RadiusData J.c.PAL $.VDW JM.Group JS.T JU.BSUtil $.Elements $.Logger $.Parser $.Vibration".split(" "),function(){c$=u(function(){this.at=this.bioModelset=this.g3d=this.vwr=null;this.ac=0;this.labeler=this.pointGroup=this.trajectory=null;this.maxVanderwaalsRadius=this.maxBondingRadius= +1.4E-45;this.hasBfactorRange=!1;this.bfactor100Hi=this.bfactor100Lo=0;this.haveBSClickable=this.haveBSVisible=!1;this.bsSurface=null;this.surfaceDistanceMax=this.nSurfaceAtoms=0;this.haveChirality=!1;this.bspf=null;this.canSkipLoad=this.preserveState=!0;this.haveStraightness=!1;this.aaRet=this.bsPartialCharges=this.hydrophobicities=this.bondingRadii=this.partialCharges=this.bfactor100s=this.occupancies=this.vibrations=this.dssrData=this.atomSeqIDs=this.atomResnos=this.atomSerials=this.atomTypes=this.atomNames= +this.tainted=this.surfaceDistance100s=this.atomTensors=this.atomTensorList=this.bsModulated=this.bsClickable=this.bsVisible=this.bsHidden=null;X("JM.AtomCollection.AtomSorter")||JM.AtomCollection.$AtomCollection$AtomSorter$();this.atomCapacity=0;t(this,arguments)},JM,"AtomCollection");c(c$,"getAtom",function(a){return 0<=a&&aa?null:this.at[a].group.getQuaternion(b)},"~N,~S");c(c$,"getFirstAtomIndexFromAtomNumber",function(a,b){for(var d=0;dthis.maxBondingRadius)this.maxBondingRadius=a;if((a=d.getVanderwaalsRadiusFloat(this.vwr,J.c.VDW.AUTO))>this.maxVanderwaalsRadius)this.maxVanderwaalsRadius=a}}});c(c$,"clearBfactorRange",function(){this.hasBfactorRange=!1});c(c$,"calcBfactorRange",function(a){if(!this.hasBfactorRange){this.bfactor100Lo=2147483647;this.bfactor100Hi= +-2147483648;if(null==a)for(var b=0;bthis.bfactor100Hi&&(this.bfactor100Hi=a))},"~N");c(c$,"getBfactor100Lo",function(){this.hasBfactorRange||(this.vwr.g.rangeSelected?this.calcBfactorRange(this.vwr.bsA()):this.calcBfactorRange(null));return this.bfactor100Lo}); +c(c$,"getBfactor100Hi",function(){this.getBfactor100Lo();return this.bfactor100Hi});c(c$,"getSurfaceDistanceMax",function(){null==this.surfaceDistance100s&&this.calcSurfaceDistances();return this.surfaceDistanceMax});c(c$,"calculateVolume",function(a,b){var d=0;if(null!=a)for(var c=a.nextSetBit(0);0<=c;c=a.nextSetBit(c+1))d+=this.at[c].getVolume(this.vwr,b);return d},"JU.BS,J.c.VDW");c(c$,"getSurfaceDistance100",function(a){if(0==this.nSurfaceAtoms)return-1;null==this.surfaceDistance100s&&this.calcSurfaceDistances(); +return this.surfaceDistance100s[a]},"~N");c(c$,"calcSurfaceDistances",function(){this.calculateSurface(null,-1)});c(c$,"calculateSurface",function(a,b){0>b&&(b=3);var d=J.api.Interface.getOption("geodesic.EnvelopeCalculation",this.vwr,"ms").set(this.vwr,this.ac,null);d.calculate(new J.atomdata.RadiusData(null,b,J.atomdata.RadiusData.EnumType.ABSOLUTE,null),3.4028235E38,a,JU.BSUtil.copyInvert(a,this.ac),!1,!1,!1,!0);var c=d.getPoints();this.surfaceDistanceMax=0;this.bsSurface=d.getBsSurfaceClone(); +this.surfaceDistance100s=A(this.ac,0);this.nSurfaceAtoms=JU.BSUtil.cardinalityOf(this.bsSurface);if(0==this.nSurfaceAtoms||null==c||0==c.length)return c;for(var d=3.4028235E38==b?0:b,g=0;g=k)return;c=e.get(d++);break;case 2:if(d>=k)return;c=g[d++]}if(null!=c)switch(b){case 1145047050:this.setAtomCoord(h,c.x,c.y,c.z);break;case 1145047051:this.at[h].setFractionalCoordTo(c,!0);this.taintAtom(h, +2);break;case 1145047053:this.at[h].setFractionalCoordTo(c,!1);this.taintAtom(h,2);break;case 1145047055:this.setAtomVibrationVector(h,c)}}},"JU.BS,~N,~O");c(c$,"setAtomVibrationVector",function(a,b){this.setVibrationVector(a,b);this.taintAtom(a,12)},"~N,JU.T3");c(c$,"setAtomCoord",function(a,b,d,c){if(!(0>a||a>=this.ac)){var g=this.at[a];g.set(b,d,c);this.fixTrajectory(g);this.taintAtom(a,2)}},"~N,~N,~N,~N");c(c$,"fixTrajectory",function(a){this.isTrajectory(a.mi)&&this.trajectory.fixAtom(a)},"JM.Atom"); +c(c$,"setAtomCoordRelative",function(a,b,d,c){if(!(0>a||a>=this.ac)){var g=this.at[a];g.add3(b,d,c);this.fixTrajectory(g);this.taintAtom(a,2)}},"~N,~N,~N,~N");c(c$,"setAtomsCoordRelative",function(a,b,d,c){if(null!=a)for(var g=a.nextSetBit(0);0<=g;g=a.nextSetBit(g+1))this.setAtomCoordRelative(g,b,d,c)},"JU.BS,~N,~N,~N");c(c$,"setAPa",function(a,b,d,c,g,e,j){var k=0;if(!(null!=e&&0==e.length||null==a)){for(var h=null!=e&&e.length==this.ac||null!=j&&j.length==this.ac,r=a.nextSetBit(0);0<=r;r=a.nextSetBit(r+ +1)){h&&(k=r);if(null!=e){if(k>=e.length)return;c=e[k++];if(Float.isNaN(c))continue;d=C(c)}else if(null!=j){if(k>=j.length)return;g=j[k++]}var n=this.at[r],q;switch(b){case 1086326786:this.setAtomName(r,g,!0);break;case 1086326785:this.setAtomType(r,g);break;case 1086326788:this.setChainID(r,g);break;case 1094715393:this.setAtomNumber(r,d,!0);break;case 1094713365:this.setAtomSeqID(r,d);break;case 1111492609:case 1111492629:this.setAtomCoord(r,c,n.y,n.z);break;case 1111492610:case 1111492630:this.setAtomCoord(r, +n.x,c,n.z);break;case 1111492611:case 1111492631:this.setAtomCoord(r,n.x,n.y,c);break;case 1111492626:case 1111492627:case 1111492628:this.setVibrationVector2(r,b,c);break;case 1111492612:case 1111492613:case 1111492614:n.setFractionalCoord(b,c,!0);this.taintAtom(r,2);break;case 1111492615:case 1111492616:case 1111492617:n.setFractionalCoord(b,c,!1);this.taintAtom(r,2);break;case 1094715402:case 1086326789:this.setElement(n,d,!0);break;case 1631586315:this.resetPartialCharges();n.setFormalCharge(d); +this.taintAtom(r,4);break;case 1113589786:this.setHydrophobicity(r,c);break;case 1128269825:q=2>c&&0.01<=c?100*c:c;this.setOccupancy(r,q,!0);break;case 1111492619:this.setPartialCharge(r,c,!0);break;case 1111492618:this.setBondingRadius(r,c);break;case 1111492620:this.setBFactor(r,c,!0);break;case 1094715412:this.setAtomResno(r,d);break;case 1825200146:case 1287653388:this.vwr.shm.setAtomLabel(g,r);break;case 1665140738:case 1112152075:q=c;0>q?q=0:16=c&&(null==this.atomNames&&(this.atomNames=Array(this.at.length)), +this.atomNames[a]=b);d&&this.taintAtom(a,0)}},"~N,~S,~B");c(c$,"setAtomType",function(a,b){b.equals(this.at[a].getAtomType())||(null==this.atomTypes&&(this.atomTypes=Array(this.at.length)),this.atomTypes[a]=b)},"~N,~S");c(c$,"setChainID",function(a,b){if(!b.equals(this.at[a].getChainIDStr())){var d=this.at[a].getChainID(),d=this.getChainBits(d);this.at[a].group.chain.chainID=this.vwr.getChainID(b,!0);for(var c=d.nextSetBit(0);0<=c;c=d.nextSetBit(c+1))this.taintAtom(c,16)}},"~N,~S");c(c$,"setAtomNumber", +function(a,b,d){d&&b==this.at[a].getAtomNumber()||(null==this.atomSerials&&(this.atomSerials=A(this.at.length,0)),this.atomSerials[a]=b,d&&this.taintAtom(a,13))},"~N,~N,~B");c(c$,"setElement",function(a,b,d){d&&a.getElementNumber()==b||(a.setAtomicAndIsotopeNumber(b),a.paletteID=J.c.PAL.CPK.id,a.colixAtom=this.vwr.cm.getColixAtomPalette(a,J.c.PAL.CPK.id),this.resetPartialCharges(),d&&this.taintAtom(a.i,3))},"JM.Atom,~N,~B");c(c$,"resetPartialCharges",function(){this.bsPartialCharges=this.partialCharges= +null});c(c$,"setAtomResno",function(a,b){b!=this.at[a].getResno()&&(this.at[a].group.setResno(b),null==this.atomResnos&&(this.atomResnos=A(this.at.length,0)),this.atomResnos[a]=b,this.taintAtom(a,15))},"~N,~N");c(c$,"setAtomSeqID",function(a,b){b!=this.at[a].getSeqID()&&(null==this.atomSeqIDs&&(this.atomSeqIDs=A(this.at.length,0)),this.atomSeqIDs[a]=b,this.taintAtom(a,14))},"~N,~N");c(c$,"setOccupancy",function(a,b,d){if(!(d&&b==this.at[a].getOccupancy100())){if(null==this.occupancies){if(100==b)return; +this.occupancies=K(this.at.length,0);for(var c=this.at.length;0<=--c;)this.occupancies[c]=100}this.occupancies[a]=b;d&&this.taintAtom(a,7)}},"~N,~N,~B");c(c$,"setPartialCharge",function(a,b,d){if(!Float.isNaN(b)){if(null==this.partialCharges){this.bsPartialCharges=new JU.BS;if(0==b)return;this.partialCharges=K(this.at.length,0)}this.bsPartialCharges.set(a);this.partialCharges[a]=b;d&&this.taintAtom(a,8)}},"~N,~N,~B");c(c$,"setBondingRadius",function(a,b){Float.isNaN(b)||b==this.at[a].getBondingRadius()|| +(null==this.bondingRadii?this.bondingRadii=K(this.at.length,0):this.bondingRadii.lengthb?-327.68:327.67b?-0.5:0.5));d&&this.taintAtom(a, +9)}},"~N,~N,~B");c(c$,"setHydrophobicity",function(a,b){if(!(Float.isNaN(b)||b==this.at[a].getHydrophobicity())){if(null==this.hydrophobicities){this.hydrophobicities=K(this.at.length,0);for(var d=0;dn||n>=this.ac)){var q=this.at[n];j++;var B=r.length-1,y=JU.PT.parseFloat(r[B]);switch(a){case 17:g[n]=y;e.set(n);continue;case 0:this.setAtomName(n,r[B],!0);break;case 13:this.setAtomNumber(n,C(y),!0);break;case 15:this.setAtomResno(n,C(y)); +break;case 14:this.setAtomSeqID(n,C(y));break;case 1:this.setAtomType(n,r[B]);break;case 16:this.setChainID(n,r[B]);break;case 3:q.setAtomicAndIsotopeNumber(C(y));q.paletteID=J.c.PAL.CPK.id;q.colixAtom=this.vwr.cm.getColixAtomPalette(q,J.c.PAL.CPK.id);break;case 4:q.setFormalCharge(C(y));break;case 5:this.setHydrophobicity(n,y);break;case 6:this.setBondingRadius(n,y);break;case 8:this.setPartialCharge(n,y,!0);break;case 9:this.setBFactor(n,y,!0);break;case 10:q.setValence(C(y));break;case 11:q.setRadius(y)}this.taintAtom(n, +a)}}17==a&&0d;d++)if(JM.AtomCollection.userSettableValues[d].equalsIgnoreCase(a))return d;return b?17:-1},"~S");c(c$,"getTaintedAtoms",function(a){return null==this.tainted?null:this.tainted[a]},"~N");c(c$,"taintAtoms",function(a,b){this.canSkipLoad=!1;if(this.preserveState)for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))this.taintAtom(d,b)},"JU.BS,~N");c(c$,"taintAtom", +function(a,b){this.preserveState&&(null==this.tainted&&(this.tainted=Array(17)),null==this.tainted[b]&&(this.tainted[b]=JU.BS.newN(this.ac)),this.tainted[b].set(a));2==b&&this.taintModelCoord(a)},"~N,~N");c(c$,"taintModelCoord",function(a){a=this.am[this.at[a].mi];this.validateBspfForModel(a.trajectoryBaseIndex,!1);a.isBioModel&&a.resetDSSR(!0);this.pointGroup=null},"~N");c(c$,"untaint",function(a,b){this.preserveState&&(null==this.tainted||null==this.tainted[b]||this.tainted[b].clear(a))},"~N,~N"); +c(c$,"setTaintedAtoms",function(a,b){if(this.preserveState){if(null==a){if(null==this.tainted)return;this.tainted[b]=null;return}null==this.tainted&&(this.tainted=Array(17));null==this.tainted[b]&&(this.tainted[b]=JU.BS.newN(this.ac));JU.BSUtil.copy2(a,this.tainted[b])}if(2==b){var d=a.nextSetBit(0);0<=d&&this.taintModelCoord(d)}},"JU.BS,~N");c(c$,"unTaintAtoms",function(a,b){if(!(null==this.tainted||null==this.tainted[b])){for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))this.tainted[b].clear(d); +0>this.tainted[b].nextSetBit(0)&&(this.tainted[b]=null)}},"JU.BS,~N");c(c$,"findNearest2",function(a,b,d,c,g){for(var e=null,j,k=this.ac;0<=--k;)if(!(null!=c&&c.get(k)||null==(j=this.at[k])))j.isClickable()&&this.isCursorOnTopOf(j,a,b,g,e)&&(e=j);d[0]=e},"~N,~N,~A,JU.BS,~N");c(c$,"isCursorOnTopOf",function(a,b,d,c,g){return 1=p?1.1:10>=p?1:1.3;switch(p){case 7:case 8:s=1}q=g||c?m.getCovalentHydrogenCount():0;if(!(g&&0d)return 0;var c=a.getFormalCharge(),g=a.getValence(),e=this.am[a.mi],e=e.isBioModel&&!e.isPdbWithMultipleBonds?a.group.getGroup3():null;null==this.aaRet&&(this.aaRet=A(5,0));this.aaRet[0]=d;this.aaRet[1]=c;this.aaRet[2]=0;this.aaRet[3]=a.getCovalentBondCount();this.aaRet[4]=null==e?0:g;null!=e&&0==c&&this.bioModelset.getAminoAcidValenceAndCharge(e,a.getAtomName(),this.aaRet)&&(d=this.aaRet[0],c=this.aaRet[1]); +0!=c&&(d+=4==d?-Math.abs(c):c,this.aaRet[0]=d);d-=g;return 0>d&&!b?0:d},"JM.Atom,~B");c(c$,"fixFormalCharges",function(a){for(var b=0,d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1)){var c=this.at[d],g=this.getMissingHydrogenCount(c,!0);if(0!=g){var e=c.getFormalCharge(),g=e-g;c.setFormalCharge(g);this.taintAtom(d,4);JU.Logger.debugging&&JU.Logger.debug("atom "+c+" formal charge "+e+" -> "+g);b++}}return b},"JU.BS");c(c$,"getHybridizationAndAxes",function(a,b,d,c,g,e,j,k){var h=0q||6c.angle(B[1])?a.cross(c,B[1]):a.cross(c,B[2]);a.normalize();var p= +new JU.V3;2.984513>B[1].angle(B[2])?p.cross(B[1],B[2]):p.cross(c,B[2]);p.normalize();m=0.95<=Math.abs(p.dot(a))}var y=0==h.indexOf("sp3"),s=!y&&0==h.indexOf("sp2"),t=!y&&!s&&0==h.indexOf("sp"),u=0==h.indexOf("p"),v=0==h.indexOf("lp"),p=null;if(e){if(0==n)return null;if(y){if(3d.length()){if(0<=h.indexOf("2")||0<=h.indexOf("3"))return null;p="sp";break}p=y?"sp3":"sp2";if(0==h.indexOf("sp"))break;if(v){p="lp";break}p=h;break;default:if(m&&!k)p="sp2";else{m&&d.setT(a);if(v&&3==n){p="lp";break}p="sp3"}}if(null==p)return null;if(0==h.indexOf("p")){if("sp3"===p)return null}else if(0>h.indexOf(p))return null}if(q +d.length()){if(!h.equals("pz")){m=r[0];(b=3==m.getCovalentBondCount())||(b=3==(m=r[1]).getCovalentBondCount());if(b){this.getHybridizationAndAxes(m.i,0,c,d,"pz",!1,j,k);h.equals("px")&&c.scale(-1);d.setT(B[0]);break}a.setT(JM.AtomCollection.vRef);d.cross(a,c);a.cross(d,c)}d.setT(c);c.cross(a,d);break}a.cross(d,c);if(s){c.cross(d,a);break}if(y||v){a.normalize();d.normalize();h.equals("lp")||(0==q||2==q?d.scaleAdd2(-1.2,a,d):d.scaleAdd2(1.2,a,d));c.cross(d,a);break}c.cross(d,a);d.setT(a);0>d.z&&(d.scale(-1), +c.scale(-1));break;default:if(y)break;if(!m){c.cross(d,c);break}d.setT(a);0>d.z&&j&&(d.scale(-1),c.scale(-1))}c.normalize();d.normalize();return p},"~N,~N,JU.V3,JU.V3,~S,~B,~B,~B");c(c$,"getHybridizationAndAxesD",function(a,b,d,c){c.startsWith("sp3d2")&&(c="d2sp3"+(5==c.length?"a":c.substring(5)));c.startsWith("sp3d")&&(c="dsp3"+(4==c.length?"a":c.substring(4)));if(c.equals("d2sp3")||c.equals("dsp3"))c+="a";var g=c.startsWith("dsp3"),e=c.charCodeAt(c.length-1)-97;if(null!=b&&(!g&&(5j&&null!=b)return null;for(var k=e>=j,h=w(j*(j-1)/2),r=JU.AU.newInt2(h),n=A(3,0),h=A(3,h,0),q=0,B=0,y=0;yp?0:150<=p?2:1;h[p][n[p]]=q;n[p]++;r[q++]=A(-1,[y,m]);0==y&&1==p&&B++}q=100*n[0]+10*n[1]+n[2];if(null==b)switch(q){default:return"";case 0:return"";case 1:return"linear";case 100:case 10:return"bent"; +case 111:case 201:return"T-shaped";case 30:case 120:case 210:case 300:return 162b)return null;b=Array(g);if(0c)d.set(a);else if(8==(g=this.at[a]).getElementNumber()&&2==g.getCovalentBondCount()){for(var c=g.bonds, +j=0,k=c.length;0<=--k&&3>j;)if(c[k].isCovalent()&&1==(e=c[k].getOtherAtom(g)).getElementNumber())b[j++%2]=e.i;2==j&&(d.set(b[1]),d.set(b[0]),d.set(a))}return d;case 1073742355:for(a=this.ac;0<=--a;)null!=this.at[a]&&this.isAltLoc(this.at[a].altloc,b)&&d.set(a);return d;case 1073742356:g=b.toUpperCase();0<=g.indexOf("\\?")&&(g=JU.PT.rep(g,"\\?","\u0001"));(e=g.startsWith("?*"))&&(g=g.substring(1));for(a=this.ac;0<=--a;)null!=this.at[a]&&this.isAtomNameMatch(this.at[a],g,e,e)&&d.set(a);return d;case 1073742357:return JU.BSUtil.copy(this.getChainBits(c)); +case 1073742360:return this.getSpecName(b);case 1073742361:for(a=this.ac;0<=--a;)null!=this.at[a]&&this.at[a].group.groupID==c&&d.set(a);return d;case 1073742362:return JU.BSUtil.copy(this.getSeqcodeBits(c,!0));case 5:for(a=this.ac;0<=--a;)null!=this.at[a]&&this.at[a].group.getInsCode()==c&&d.set(a);return d;case 1296041986:for(a=this.ac;0<=--a;)null!=this.at[a]&&this.at[a].getSymOp()==c&&d.set(a);return d}e=b.nextSetBit(0);if(0>e)return d;switch(a){case 1094717454:g=JU.BSUtil.copy(b);for(a=e;0<= +a;a=g.nextSetBit(a+1))d.or(this.am[this.at[a].mi].bsAtoms),g.andNot(d);return d;case 1086326788:g=JU.BSUtil.copy(b);for(a=e;0<=a;a=g.nextSetBit(a+1))this.at[a].group.chain.setAtomBits(d),g.andNot(d);return d;case 1086326789:g=new JU.BS;for(a=e;0<=a;a=b.nextSetBit(a+1))g.set(this.at[a].getElementNumber());for(a=this.ac;0<=--a;)null!=this.at[a]&&g.get(this.at[a].getElementNumber())&&d.set(a);return d;case 1086324742:g=JU.BSUtil.copy(b);for(a=e;0<=a;a=g.nextSetBit(a+1))this.at[a].group.setAtomBits(d), +g.andNot(d);return d;case 1094713366:g=new JU.BS;for(a=e;0<=a;a=b.nextSetBit(a+1))g.set(this.at[a].atomSite);for(a=this.ac;0<=--a;)null!=this.at[a]&&g.get(this.at[a].atomSite)&&d.set(a);return d}JU.Logger.error("MISSING getAtomBits entry for "+JS.T.nameOf(a));return d},"~N,~O,JU.BS");c(c$,"getChainBits",function(a){var b=this.vwr.getBoolean(603979822);b?97<=a&&122>=a&&(a+=159):0<=a&&300>a&&(a=this.chainToUpper(a));for(var d=new JU.BS,c=JU.BS.newN(this.ac),g,e=c.nextClearBit(0);eg&&a==this.chainToUpper(g)?(j.setAtomBits(d),c.or(d)):j.setAtomBits(c)}return d},"~N");c(c$,"chainToUpper",function(a){return 97<=a&&122>=a?a-32:256<=a&&300>a?a-191:a},"~N");c(c$,"isAltLoc",function(a,b){if(null==b)return"\x00"==a;if(1!=b.length)return!1;var d=b.charAt(0);return"*"==d||"?"==d&&"\x00"!=a||a==d},"~S,~S");c(c$,"getSeqcodeBits",function(a,b){var d=new JU.BS,c=JM.Group.getSeqNumberFor(a),g=2147483647!= +c,e=!0,j=JM.Group.getInsertionCodeChar(a);switch(j){case "?":for(var k=this.ac;0<=--k;)if(null!=this.at[k]){var h=this.at[k].group.seqcode;if((!g||c==JM.Group.getSeqNumberFor(h))&&0!=JM.Group.getInsertionCodeFor(h))d.set(k),e=!1}break;default:for(k=this.ac;0<=--k;)if(null!=this.at[k]&&(h=this.at[k].group.seqcode,a==h||!g&&a==JM.Group.getInsertionCodeFor(h)||"*"==j&&c==JM.Group.getSeqNumberFor(h)))d.set(k),e=!1}return!e||b?d:null},"~N,~B");c(c$,"getIdentifierOrNull",function(a){var b=this.getSpecNameOrNull(a, +!1);0<=a.indexOf("\\?")&&(a=JU.PT.rep(a,"\\?","\u0001"));return null!=b||0a&&0.1>=e&&e>=a||0==a&&0.01>Math.abs(e))&&d.set(g.i)}}return d},"~N,JU.P4");c(c$,"clearVisibleSets",function(){this.haveBSClickable=this.haveBSVisible=!1});c(c$,"getAtomsInFrame",function(a){this.clearVisibleSets(); +a.clearAll();for(var b=this.ac;0<=--b;)null!=this.at[b]&&this.at[b].isVisible(1)&&a.set(b)},"JU.BS");c(c$,"getVisibleSet",function(a){if(a)this.vwr.setModelVisibility(),this.vwr.shm.finalizeAtoms(null,!0);else if(this.haveBSVisible)return this.bsVisible;this.bsVisible.clearAll();for(a=this.ac;0<=--a;)null!=this.at[a]&&this.at[a].checkVisible()&&this.bsVisible.set(a);null!=this.vwr.shm.bsSlabbedInternal&&this.bsVisible.andNot(this.vwr.shm.bsSlabbedInternal);this.haveBSVisible=!0;return this.bsVisible}, +"~B");c(c$,"getClickableSet",function(a){if(a)this.vwr.setModelVisibility();else if(this.haveBSClickable)return this.bsClickable;this.bsClickable.clearAll();for(a=this.ac;0<=--a;)null!=this.at[a]&&this.at[a].isClickable()&&this.bsClickable.set(a);this.haveBSClickable=!0;return this.bsClickable},"~B");c(c$,"isModulated",function(a){return null!=this.bsModulated&&this.bsModulated.get(a)},"~N");c(c$,"deleteModelAtoms",function(a,b,d){this.at=JU.AU.deleteElements(this.at,a,b);this.ac=this.at.length;for(var c= +a;ca;a++)JU.BSUtil.deleteBits(this.tainted[a],d)},"~N,~N,JU.BS");c(c$,"getAtomIdentityInfo",function(a,b,d){b.put("_ipt",Integer.$valueOf(a));b.put("atomIndex",Integer.$valueOf(a)); +b.put("atomno",Integer.$valueOf(this.at[a].getAtomNumber()));b.put("info",this.getAtomInfo(a,null,d));b.put("sym",this.at[a].getElementSymbol())},"~N,java.util.Map,JU.P3");c(c$,"getAtomTensorList",function(a){return 0>a||null==this.atomTensorList||a>=this.atomTensorList.length?null:this.atomTensorList[a]},"~N");c(c$,"deleteAtomTensors",function(a){if(null!=this.atomTensors){for(var b=new JU.Lst,d,c=this.atomTensors.keySet().iterator();c.hasNext()&&((d=c.next())||1);){for(var g=this.atomTensors.get(d), +e=g.size();0<=--e;){var j=g.get(e);(a.get(j.atomIndex1)||0<=j.atomIndex2&&a.get(j.atomIndex2))&&g.removeItemAt(e)}0==g.size()&&b.addLast(d)}for(e=b.size();0<=--e;)this.atomTensors.remove(b.get(e))}},"JU.BS");c(c$,"setCapacity",function(a){this.atomCapacity+=a},"~N");c(c$,"setAtomTensors",function(a,b){if(!(null==b||0==b.size())){null==this.atomTensors&&(this.atomTensors=new java.util.Hashtable);null==this.atomTensorList&&(this.atomTensorList=Array(this.at.length));this.atomTensorList=JU.AU.ensureLength(this.atomTensorList, +this.at.length);this.atomTensorList[a]=JM.AtomCollection.getTensorList(b);for(var d=b.size();0<=--d;){var c=b.get(d);c.atomIndex1=a;c.atomIndex2=-1;c.modelIndex=this.at[a].mi;this.addTensor(c,c.type);null!=c.altType&&this.addTensor(c,c.altType)}}},"~N,JU.Lst");c(c$,"addTensor",function(a,b){b=b.toLowerCase();var d=this.atomTensors.get(b);null==d&&(this.atomTensors.put(b,d=new JU.Lst),d.ensureCapacity(this.atomCapacity));d.addLast(a)},"JU.Tensor,~S");c$.getTensorList=c(c$,"getTensorList",function(a){for(var b= +-1,d=!1,c=a.size(),g=c;0<=--g;){var e=a.get(g);e.forThermalEllipsoid?b=g:2==e.iType&&(d=!0)}var j=Array((0<=b||!d?0:1)+c);if(0<=b&&(j[0]=a.get(b),1==a.size()))return j;if(d){b=0;for(g=c;0<=--g;)e=a.get(g),e.forThermalEllipsoid||(j[++b]=e)}else for(g=0;g +a||a>=this.ac?null:this.at[a].getUnitCell(),c=null!=b&&Float.isNaN(b.x);return null==d?new JU.Lst:d.generateCrystalClass(c?null:null!=b?b:this.at[a])},"~N,JU.P3");c$.$AtomCollection$AtomSorter$=function(){N(self.c$);c$=u(function(){$(this,arguments);t(this,arguments)},JM.AtomCollection,"AtomSorter",null,java.util.Comparator);h(c$,"compare",function(a,b){return a.i>b.i?1:a.ie?-1:c;if(this.isVdw=null!= +j)this.radiusData=j,this.atoms=a.at,this.vwr=a.vwr,e=j.factorType===J.atomdata.RadiusData.EnumType.OFFSET?5+j.value:5*j.value,this.vdw1=this.atoms[c].getVanderwaalsRadiusFloat(this.vwr,j.vdwType);this.checkGreater=this.isGreaterOnly&&2147483647!=c;this.setCenter(g,e)}},"JM.ModelSet,~N,~N,~N,JU.T3,~N,J.atomdata.RadiusData");h(c$,"setCenter",function(a,b){this.setCenter2(a,b)},"JU.T3,~N");c(c$,"setCenter2",function(a,b){null!=this.cubeIterator&&(this.cubeIterator.initialize(a,b,this.hemisphereOnly), +this.distanceSquared=b*b)},"JU.T3,~N");h(c$,"hasNext",function(){return this.hasNext2()});c(c$,"hasNext2",function(){if(0<=this.atomIndex)for(;this.cubeIterator.hasMoreElements();){var a=this.cubeIterator.nextElement();if((this.iNext=a.i)!=this.atomIndex&&(!this.checkGreater||this.iNext>this.atomIndex)&&(null==this.bsSelected||this.bsSelected.get(this.iNext)))return!0}else if(this.cubeIterator.hasMoreElements())return a=this.cubeIterator.nextElement(),this.iNext=a.i,!0;this.iNext=-1;return!1});h(c$, +"next",function(){return this.iNext-this.zeroBase});h(c$,"foundDistance2",function(){return null==this.cubeIterator?-1:this.cubeIterator.foundDistance2()});h(c$,"addAtoms",function(a){for(var b;this.hasNext();)if(0<=(b=this.next())){var d;if(this.isVdw){d=this.atoms[b].getVanderwaalsRadiusFloat(this.vwr,this.radiusData.vdwType)+this.vdw1;switch(this.radiusData.factorType){case J.atomdata.RadiusData.EnumType.OFFSET:d+=2*this.radiusData.value;break;case J.atomdata.RadiusData.EnumType.FACTOR:d*=this.radiusData.value}d*= +d}else d=this.distanceSquared;this.foundDistance2()<=d&&a.set(b)}},"JU.BS");h(c$,"release",function(){null!=this.cubeIterator&&(this.cubeIterator.release(),this.cubeIterator=null)});h(c$,"getPosition",function(){return null})});m("JM");x(["JM.AtomIteratorWithinModel"],"JM.AtomIteratorWithinModelSet",null,function(){c$=u(function(){this.center=this.bsModels=null;this.distance=0;t(this,arguments)},JM,"AtomIteratorWithinModelSet",JM.AtomIteratorWithinModel);p(c$,function(a){H(this,JM.AtomIteratorWithinModelSet, +[]);this.bsModels=a},"JU.BS");h(c$,"setCenter",function(a,b){this.center=a;this.distance=b;this.set(0)},"JU.T3,~N");c(c$,"set",function(a){if(0>(this.modelIndex=this.bsModels.nextSetBit(a))||null==(this.cubeIterator=this.bspf.getCubeIterator(this.modelIndex)))return!1;this.setCenter2(this.center,this.distance);return!0},"~N");h(c$,"hasNext",function(){return this.hasNext2()?!0:!this.set(this.modelIndex+1)?!1:this.hasNext()})});m("JM");x(["JU.Edge","JV.JC"],"JM.Bond",["JU.C"],function(){c$=u(function(){this.atom2= +this.atom1=null;this.shapeVisibilityFlags=this.colix=this.mad=0;t(this,arguments)},JM,"Bond",JU.Edge);p(c$,function(a,b,d,c,g){H(this,JM.Bond,[]);this.atom1=a;this.atom2=b;this.colix=g;this.setOrder(d);this.setMad(c)},"JM.Atom,JM.Atom,~N,~N,~N");c(c$,"setMad",function(a){this.mad=a;this.setShapeVisibility(0!=a)},"~N");c(c$,"setShapeVisibility",function(a){0!=(this.shapeVisibilityFlags&JM.Bond.myVisibilityFlag)!=a&&(this.atom1.addDisplayedBond(JM.Bond.myVisibilityFlag,a),this.atom2.addDisplayedBond(JM.Bond.myVisibilityFlag, +a),this.shapeVisibilityFlags=a?this.shapeVisibilityFlags|JM.Bond.myVisibilityFlag:this.shapeVisibilityFlags&~JM.Bond.myVisibilityFlag)},"~B");c(c$,"getIdentity",function(){return this.index+1+" "+JU.Edge.getBondOrderNumberFromOrder(this.order)+" "+this.atom1.getInfo()+" -- "+this.atom2.getInfo()+" "+this.atom1.distance(this.atom2)});h(c$,"isCovalent",function(){return 0!=(this.order&1023)});h(c$,"isHydrogen",function(){return JU.Edge.isOrderH(this.order)});c(c$,"isStereo",function(){return 0!=(this.order& +1024)});c(c$,"isPartial",function(){return 0!=(this.order&224)});c(c$,"isAromatic",function(){return 0!=(this.order&512)});c(c$,"getEnergy",function(){return 0});c(c$,"getValence",function(){return!this.isCovalent()?0:this.isPartial()||this.is(515)?1:this.order&7});c(c$,"deleteAtomReferences",function(){null!=this.atom1&&this.atom1.deleteBond(this);null!=this.atom2&&this.atom2.deleteBond(this);this.atom1=this.atom2=null});c(c$,"setTranslucent",function(a,b){this.colix=JU.C.getColixTranslucent3(this.colix, +a,b)},"~B,~N");c(c$,"setOrder",function(a){16==this.atom1.getElementNumber()&&16==this.atom2.getElementNumber()&&(a|=256);512==a&&(a=515);this.order=a|this.order&131072},"~N");h(c$,"getAtomIndex1",function(){return this.atom1.i});h(c$,"getAtomIndex2",function(){return this.atom2.i});h(c$,"getCovalentOrder",function(){return JU.Edge.getCovalentBondOrder(this.order)});c(c$,"getOtherAtom",function(a){return this.atom1===a?this.atom2:this.atom2===a?this.atom1:null},"JM.Atom");c(c$,"is",function(a){return(this.order& +-131073)==a},"~N");h(c$,"getOtherNode",function(a){return this.atom1===a?this.atom2:this.atom2===a||null==a?this.atom1:null},"JU.SimpleNode");c(c$,"setAtropisomerOptions",function(a,b){b.get(this.atom1.i);var d,c=2147483647,g=this.atom1.bonds;for(d=0;d=g.length||2d&&0c&&200>this.numCached[c]&&(this.freeBonds[c][this.numCached[c]++]=b)}return d},"JM.Bond,~A");c(c$,"addHBond",function(a,b,d,c){this.bondCount==this.bo.length&&(this.bo=JU.AU.arrayCopyObject(this.bo,this.bondCount+250));return this.setBond(this.bondCount++,this.bondMutually(a,b,d,1,c)).index},"JM.Atom,JM.Atom,~N,~N");c(c$,"deleteAllBonds2",function(){this.vwr.setShapeProperty(1,"reset",null);for(var a=this.bondCount;0<= +--a;)this.bo[a].deleteAtomReferences(),this.bo[a]=null;this.bondCount=0});c(c$,"getDefaultMadFromOrder",function(a){return JU.Edge.isOrderH(a)?1:32768==a?w(Math.floor(2E3*this.vwr.getFloat(570425406))):this.defaultCovalentMad},"~N");c(c$,"deleteConnections",function(a,b,d,c,g,e,j){var k=0>a,h=0>b,r=k||h;a=this.fixD(a,k);b=this.fixD(b,h);var n=new JU.BS,q=0,m=d|=131072;!j&&JU.Edge.isOrderH(d)&&(d=30720);if(e)e=c;else{e=new JU.BS;for(var y=c.nextSetBit(0);0<=y;y=c.nextSetBit(y+1)){var p=this.at[y]; +if(null!=p.bonds)for(var s=p.bonds.length;0<=--s;)g.get(p.getBondedAtomIndex(s))&&e.set(p.bonds[s].index)}}for(y=e.nextSetBit(0);y=a*d:k>=d)&&(e?j<=a*c:k<=c)):k>=d&&k<=c},"JM.Atom,JM.Atom,~N,~N,~B,~B,~B");c(c$,"dBb",function(a,b){var d=a.nextSetBit(0);if(!(0>d)){this.resetMolecules();for(var c=-1,g=a.cardinality(),e=d;e=d;)this.bo[c]=null;this.bondCount=d;d=this.vwr.getShapeProperty(1, +"sets");if(null!=d)for(c=0;c=a.atom1.getCovalentBondCount()&&3>=a.atom2.getCovalentBondCount();default:return!1}},"JM.Bond");c(c$,"assignAromaticMustBeSingle",function(a){var b=a.getElementNumber();switch(b){case 6:case 7:case 8:case 16:break;default:return!0}var d=a.getValence();switch(b){case 6:return 4==d;case 7:return a.group.getNitrogenAtom()===a||3==d&&1>a.getFormalCharge();case 8:return a.group.getCarbonylOxygenAtom()!== +a&&2==d&&1>a.getFormalCharge();case 16:return 5==a.group.groupID||2==d&&1>a.getFormalCharge()}return!1},"JM.Atom");c(c$,"assignAromaticNandO",function(a){for(var b,d=null==a,c=d?this.bondCount-1:a.nextSetBit(0);0<=c;c=d?c-1:a.nextSetBit(c+1))if(b=this.bo[c],b.is(513)){var g,e=b.atom2,j,k=e.getElementNumber();7==k||8==k?(j=k,g=e,e=b.atom1,k=e.getElementNumber()):(g=b.atom1,j=g.getElementNumber());if(!(7!=j&&8!=j)){var h=g.getValence();if(!(0>h)){var r=g.getCovalentBondCount();g=g.getFormalCharge(); +switch(j){case 7:3==h&&(3==r&&1>g&&6==k&&3==e.getValence())&&b.setOrder(514);break;case 8:1==h&&(0==g&&(14==k||16==k))&&b.setOrder(514)}}}}},"JU.BS");c(c$,"getAtomBitsMDb",function(a,b){var d=new JU.BS;switch(a){default:return this.getAtomBitsMDa(a,b,d);case 1677721602:for(var c=b.nextSetBit(0);0<=c;c=b.nextSetBit(c+1))d.set(this.bo[c].atom1.i),d.set(this.bo[c].atom2.i);return d;case 1073742331:for(c=this.bondCount;0<=--c;)this.bo[c].isAromatic()&&(d.set(this.bo[c].atom1.i),d.set(this.bo[c].atom2.i)); +return d}},"~N,~O");c(c$,"removeUnnecessaryBonds",function(a,b){var d=new JU.BS,c=new JU.BS,g=a.bonds;if(null!=g){for(var e=0;eb?e.clear(k):d&&0==c&&e.set(k);return e},"~N,~N,~N,JU.BS"); +G(c$,"BOND_GROWTH_INCREMENT",250,"MAX_BONDS_LENGTH_TO_CACHE",5,"MAX_NUM_TO_CACHE",200)});m("JM");L(JM,"BondIterator");m("JM");x(["JM.BondIterator"],"JM.BondIteratorSelected",null,function(){c$=u(function(){this.bonds=null;this.iBond=this.bondType=this.bondCount=0;this.bsSelected=null;this.bondSelectionModeOr=!1;t(this,arguments)},JM,"BondIteratorSelected",null,JM.BondIterator);p(c$,function(a,b,d,c,g){this.bonds=a;this.bondCount=b;this.bondType=d;this.bsSelected=c;this.bondSelectionModeOr=g},"~A,~N,~N,JU.BS,~B"); +h(c$,"hasNext",function(){if(131071==this.bondType)return this.iBond=this.bsSelected.nextSetBit(this.iBond),0<=this.iBond&&this.iBondthis.chainID?""+String.fromCharCode(this.chainID):this.model.ms.vwr.getChainIDStr(this.chainID)});c(c$,"calcSelectedGroupsCount",function(a){for(var b=this.selectedGroupCount=0;bthis.groupID?"":JM.Group.group3Names[this.groupID]});c(c$,"getGroup1",function(){return"\x00"== this.group1?"?":this.group1});c(c$,"getBioPolymerLength",function(){return 0});c(c$,"getMonomerIndex",function(){return-1});c(c$,"getStructure",function(){return null});c(c$,"getStrucNo",function(){return 0});c(c$,"getProteinStructureType",function(){return J.c.STR.NOT});c(c$,"getProteinStructureSubType",function(){return this.getProteinStructureType()});c(c$,"setProteinStructureType",function(){return-1},"J.c.STR,~N");c(c$,"isProtein",function(){return 1<=this.groupID&&24>this.groupID});c(c$,"isNucleic", @@ -1371,29 +1381,29 @@ function(){return null});c(c$,"getQuaternion",function(){return null},"~S");c(c$ c(c$,"getStructureId",function(){return""});c(c$,"getBioPolymerIndexInModel",function(){return-1});c(c$,"isCrossLinked",function(){return!1},"JM.Group");c(c$,"getCrossLinkVector",function(){return!1},"JU.Lst,~B,~B");c(c$,"isConnectedPrevious",function(){return!1});c(c$,"getNitrogenAtom",function(){return null});c(c$,"getCarbonylOxygenAtom",function(){return null});c(c$,"fixIndices",function(a,b){this.firstAtomIndex-=a;this.leadAtomIndex-=a;this.lastAtomIndex-=a;null!=this.bsAdded&&JU.BSUtil.deleteBits(this.bsAdded, b)},"~N,JU.BS");c(c$,"getGroupInfo",function(a,b){var d=new java.util.Hashtable;d.put("groupIndex",Integer.$valueOf(a));d.put("groupID",Short.$valueOf(this.groupID));var c=this.getSeqcodeString();null!=c&&d.put("seqCode",c);d.put("_apt1",Integer.$valueOf(this.firstAtomIndex));d.put("_apt2",Integer.$valueOf(this.lastAtomIndex));null!=this.bsAdded&&d.put("addedAtoms",this.bsAdded);d.put("atomInfo1",this.chain.model.ms.getAtomInfo(this.firstAtomIndex,null,b));d.put("atomInfo2",this.chain.model.ms.getAtomInfo(this.lastAtomIndex, null,b));d.put("visibilityFlags",Integer.$valueOf(this.shapeVisibilityFlags));return d},"~N,JU.P3");c(c$,"getMinZ",function(a,b){b[0]=2147483647;for(var d=this.firstAtomIndex;d<=this.lastAtomIndex;d++)this.checkMinZ(a[d],b);if(null!=this.bsAdded)for(d=this.bsAdded.nextSetBit(0);0<=d;d=this.bsAdded.nextSetBit(d+1))this.checkMinZ(a[d],b)},"~A,~A");c(c$,"checkMinZ",function(a,b){var d=a.sZ-w(a.sD/2)-2;db.indexOf("%")||2>b.length)return A(-1,[(new JM.LabelToken).set(b,-1)]);for(var g=0,f=-1,j=b.length;++f=h.tok||null!=h.key?null!=j&&(j.append(h.text),"\x00"!=h.ch1&&j.appendC(h.ch1)): -JM.LabelToken.appendAtomTokenValue(a,b,h,j,g,f))}return null==j?null:j.toString().intern()},"JV.Viewer,JM.Atom,~A,~S,~A,JU.P3");c$.getBondLabelValues=c(c$,"getBondLabelValues",function(){var a=new java.util.Hashtable;a.put("#","");a.put("ORDER","");a.put("TYPE","");a.put("LENGTH",Float.$valueOf(0));a.put("ENERGY",Float.$valueOf(0));return a});c$.formatLabelBond=c(c$,"formatLabelBond",function(a,b,d,c,g,f){c.put("#",""+(b.index+1));c.put("ORDER",""+JU.Edge.getBondOrderNumberFromOrder(b.order));c.put("TYPE", 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k;"-"==b.charAt(j)&&(d.alignLeft=!0,++j);jr?""+-r+"-":"";break;case 1094717454:j=b.getModelNumberForLabel();break;case 1128269825:j=""+b.atomPropertyInt(d.tok);break;case 1665140738:k=b.atomPropertyFloat(a,d.tok,f);break;case 1086324749:j=b.group.getStructureId();break;case 1094713367:var s=b.group.getStrucNo(),j=0>=s?"":""+s;break;case 1111490574:if(Float.isNaN(k=b.group.getGroupParameter(1111490574)))j= -"null";break;case 1111492626:case 1111492627:case 1111492628:case 1111490583:case 1111490584:case 1111490585:case 1111490586:k=b.atomPropertyFloat(a,d.tok,f);Float.isNaN(k)&&(j="");break;case 1073877011:j=a.getNBOAtomLabel(b);break;case 1086324747:case 1639976963:case 1237320707:j=b.atomPropertyString(a,d.tok);break;case 1140850705:j=b.getIdentityXYZ(!1,f);break;case 79:j=b.getSymmetryOperatorList(!1);break;case 81:k=b.getOccupancy100()/100;break;default:switch(d.tok&1136656384){case 1094713344:d.intAsFloat? -k=b.atomPropertyInt(d.tok):j=""+b.atomPropertyInt(d.tok);break;case 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null==j?null:j.toString().intern()},"JV.Viewer,JM.Atom,~A,~S,~A,JU.P3");c$.getBondLabelValues=c(c$,"getBondLabelValues",function(){var a=new java.util.Hashtable;a.put("#","");a.put("ORDER","");a.put("TYPE","");a.put("LENGTH",Float.$valueOf(0));a.put("ENERGY",Float.$valueOf(0));return a});c$.formatLabelBond=c(c$,"formatLabelBond",function(a,b,d,c,g,e){c.put("#",""+(b.index+1));c.put("ORDER",""+JU.Edge.getBondOrderNumberFromOrder(b.order));c.put("TYPE", +JU.Edge.getBondOrderNameFromOrder(b.order));c.put("LENGTH",Float.$valueOf(b.atom1.distance(b.atom2)));c.put("ENERGY",Float.$valueOf(b.getEnergy()));JM.LabelToken.setValues(d,c);JM.LabelToken.formatLabelAtomArray(a,b.atom1,d,"1",g,e);JM.LabelToken.formatLabelAtomArray(a,b.atom2,d,"2",g,e);return JM.LabelToken.getLabel(d)},"JV.Viewer,JM.Bond,~A,java.util.Map,~A,JU.P3");c$.formatLabelMeasure=c(c$,"formatLabelMeasure",function(a,b,d,c,g){var e=new java.util.Hashtable;e.put("#",""+(b.index+1));e.put("VALUE", 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c=null==a?this.getAtom(3):a[2],JU.Measure.computeAngleABC(b,d,c,!0);case 4:return c=null==a?this.getAtom(3):a[2],a=null==a?this.getAtom(4):a[3],JU.Measure.computeTorsion(b,d,c,a,!0);default:return NaN}},"~A");c(c$,"getLabel",function(a,b,d){var c=this.countPlusIndices[a];return 0>c?(d?"modelIndex "+this.getAtom(a).mi+" ":"")+JU.Escape.eP(this.getAtom(a)):b?"({"+c+"})":this.vwr.getAtomInfo(c)},"~N,~B,~B");c(c$,"setModelIndex",function(a){if(null!=this.pts)for(var b=0;bg)){if(0<=d&&!a[g].isBonded(a[d]))return!1;d=g}}return!0},"~A,~N");c(c$,"getInfoAsString", function(a){var b=this.fixValue(a,!0);a=new JU.SB;a.append(2==this.count?null!=this.property?this.property:null==this.type?"distance":this.type:3==this.count?"angle":"dihedral");a.append(" \t").appendF(b);a.append(" \t").append(JU.PT.esc(this.strMeasurement));for(b=1;b<=this.count;b++)a.append(" \t").append(this.getLabel(b,!1,!1));null!=this.thisID&&a.append(" \t").append(this.thisID);return a.toString()},"~S");c(c$,"isInRange",function(a,b){if(a.factorType===J.atomdata.RadiusData.EnumType.FACTOR){var d= this.getAtom(1),c=this.getAtom(2),d=(d.getVanderwaalsRadiusFloat(this.vwr,a.vdwType)+c.getVanderwaalsRadiusFloat(this.vwr,a.vdwType))*a.value;return b<=d}return 3.4028235E38==a.values[0]||b>=a.values[0]&&b<=a.values[1]},"J.atomdata.RadiusData,~N");c(c$,"isIntramolecular",function(a,b){for(var d=-1,c=1;c<=b;c++){var g=this.getAtomIndex(c);if(!(0>g))if(g=a[g].getMoleculeNumber(!1),0>d)d=g;else if(g!=d)return!1}return!0},"~A,~N");c(c$,"isMin",function(a){var b=this.getAtom(1),d=this.getAtom(2),c=C(100* -d.distanceSquared(b)),b=b.getAtomName(),d=d.getAtomName(),d=0>b.compareTo(d)?b+d:d+b;a=a.get(d);return null!=a&&c==a.intValue()},"java.util.Map");c$.isUnits=c(c$,"isUnits",function(a){return JU.PT.isOneOf((a.startsWith("+")?a.substring(1):a).toLowerCase(),";nm;nanometers;pm;picometers;angstroms;angstroms;ang;\u00c5;au;vanderwaals;vdw;%;noe;")||0>a.indexOf(" ")&&a.endsWith("hz")},"~S");F(c$,"NMR_NOT",0,"NMR_DC",1,"NMR_JC",2,"NMR_NOE_OR_J",3)});r("JM");x(["J.api.JmolMeasurementClient"],"JM.MeasurementData", -["java.lang.Float","JU.BS","$.Lst","JM.Measurement","JU.BSUtil"],function(){c$=v(function(){this.points=this.measurements=this.measurementStrings=this.client=null;this.mustNotBeConnected=this.mustBeConnected=!1;this.tickInfo=null;this.tokAction=12290;this.note=this.property=this.strFormat=this.radiusData=null;this.isAll=!1;this.colix=0;this.intramolecular=null;this.mad=0;this.units=this.text=this.thisID=null;this.fixedValue=0;this.ms=this.minArray=this.atoms=null;this.allowSelf=!1;this.vwr=null;this.iFirstAtom= -0;this.justOneModel=!0;this.htMin=null;s(this,arguments)},JM,"MeasurementData",null,J.api.JmolMeasurementClient);t(c$,function(){});c(c$,"init",function(a,b,d){this.vwr=b;this.points=d;this.thisID=a;return this},"~S,JV.Viewer,JU.Lst");c(c$,"setModelSet",function(a){this.ms=a;return this},"JM.ModelSet");c(c$,"set",function(a,b,d,c,g,f,j,k,h,n,m,p,y,u,r){this.ms=this.vwr.ms;this.tokAction=a;2<=this.points.size()&&(q(this.points.get(0),JU.BS)&&q(this.points.get(1),JU.BS))&&(this.justOneModel=JU.BSUtil.haveCommon(this.vwr.ms.getModelBS(this.points.get(0), -!1),this.vwr.ms.getModelBS(this.points.get(1),!1)));this.htMin=b;this.radiusData=d;this.property=c;this.strFormat=g;this.units=f;this.tickInfo=j;this.mustBeConnected=k;this.mustNotBeConnected=h;this.intramolecular=n;this.isAll=m;this.mad=p;this.colix=y;this.text=u;this.fixedValue=r;return this},"~N,java.util.Map,J.atomdata.RadiusData,~S,~S,~S,JM.TickInfo,~B,~B,Boolean,~B,~N,~N,JM.Text,~N");c(c$,"processNextMeasure",function(a){var b=a.getMeasurement(null);if(!(null!=this.htMin&&!a.isMin(this.htMin)|| +d.distanceSquared(b)),b=b.getAtomName(),d=d.getAtomName(),d=0>b.compareTo(d)?b+d:d+b;a=a.get(d);return null!=a&&c==a.intValue()},"java.util.Map");c$.isUnits=c(c$,"isUnits",function(a){return JU.PT.isOneOf((a.startsWith("+")?a.substring(1):a).toLowerCase(),";nm;nanometers;pm;picometers;angstroms;angstroms;ang;\u00c5;au;vanderwaals;vdw;%;noe;")||0>a.indexOf(" ")&&a.endsWith("hz")},"~S");G(c$,"NMR_NOT",0,"NMR_DC",1,"NMR_JC",2,"NMR_NOE_OR_J",3)});m("JM");x(["J.api.JmolMeasurementClient"],"JM.MeasurementData", +["java.lang.Float","JU.BS","$.Lst","JM.Measurement","JU.BSUtil"],function(){c$=u(function(){this.points=this.measurements=this.measurementStrings=this.client=null;this.mustNotBeConnected=this.mustBeConnected=!1;this.tickInfo=null;this.tokAction=12290;this.note=this.property=this.strFormat=this.radiusData=null;this.isAll=!1;this.colix=0;this.intramolecular=null;this.mad=0;this.units=this.text=this.thisID=null;this.fixedValue=0;this.ms=this.minArray=this.atoms=null;this.allowSelf=!1;this.vwr=null;this.iFirstAtom= +0;this.justOneModel=!0;this.htMin=null;t(this,arguments)},JM,"MeasurementData",null,J.api.JmolMeasurementClient);p(c$,function(){});c(c$,"init",function(a,b,d){this.vwr=b;this.points=d;this.thisID=a;return this},"~S,JV.Viewer,JU.Lst");c(c$,"setModelSet",function(a){this.ms=a;return this},"JM.ModelSet");c(c$,"set",function(a,b,d,c,g,e,j,k,h,r,n,q,m,y,p){this.ms=this.vwr.ms;this.tokAction=a;2<=this.points.size()&&(s(this.points.get(0),JU.BS)&&s(this.points.get(1),JU.BS))&&(this.justOneModel=JU.BSUtil.haveCommon(this.vwr.ms.getModelBS(this.points.get(0), +!1),this.vwr.ms.getModelBS(this.points.get(1),!1)));this.htMin=b;this.radiusData=d;this.property=c;this.strFormat=g;this.units=e;this.tickInfo=j;this.mustBeConnected=k;this.mustNotBeConnected=h;this.intramolecular=r;this.isAll=n;this.mad=q;this.colix=m;this.text=y;this.fixedValue=p;return this},"~N,java.util.Map,J.atomdata.RadiusData,~S,~S,~S,JM.TickInfo,~B,~B,Boolean,~B,~N,~N,JM.Text,~N");c(c$,"processNextMeasure",function(a){var b=a.getMeasurement(null);if(!(null!=this.htMin&&!a.isMin(this.htMin)|| null!=this.radiusData&&!a.isInRange(this.radiusData,b)))if(null==this.measurementStrings&&null==this.measurements){var d=this.minArray[this.iFirstAtom];a.value=b;b=a.fixValue(this.units,!1);this.minArray[this.iFirstAtom]=-Infinity==1/d?b:Math.min(d,b)}else null!=this.measurementStrings?this.measurementStrings.addLast(a.getStringUsing(this.vwr,this.strFormat,this.units)):this.measurements.addLast(Float.$valueOf(a.getMeasurement(null)))},"JM.Measurement");c(c$,"getMeasurements",function(a,b){if(b){this.minArray= -K(this.points.get(0).cardinality(),0);for(var d=0;dd)){var c=-1,g=Array(4),f=B(5,0),j=(new JM.Measurement).setPoints(b, -f,g,null);j.setCount(d);j.property=this.property;j.strFormat=this.strFormat;j.units=this.units;j.fixedValue=this.fixedValue;for(var k=-1,h=0;hb)(this.allowSelf&&!this.mustBeConnected&&!this.mustNotBeConnected||d.isValid())&& -((!this.mustBeConnected||d.isConnected(this.atoms,a))&&(!this.mustNotBeConnected||!d.isConnected(this.atoms,a))&&(null==this.intramolecular||d.isIntramolecular(this.atoms,a)==this.intramolecular.booleanValue()))&&this.client.processNextMeasure(d);else{var g=this.points.get(a),f=d.countPlusIndices,j=0==a?2147483647:f[a];if(0>j)this.nextMeasure(a+1,b,d,c);else{for(var k=!1,h=g.nextSetBit(0),n=0;0<=h;h=g.nextSetBit(h+1),n++)if(h!=j||this.allowSelf){var m=this.atoms[h].mi;if(0<=c&&this.justOneModel)if(0== -a)c=m;else if(c!=m)continue;f[a+1]=h;0==a&&(this.iFirstAtom=n);k=!0;this.nextMeasure(a+1,b,d,c)}k||this.nextMeasure(a+1,b,d,c)}}},"~N,~N,JM.Measurement,~N")});r("JM");x(["JM.Measurement"],"JM.MeasurementPending",null,function(){c$=v(function(){this.haveModified=this.haveTarget=!1;this.numSet=0;this.lastIndex=-1;s(this,arguments)},JM,"MeasurementPending",JM.Measurement);c(c$,"set",function(a){return this.setM(a,null,NaN,0,null,0)},"JM.ModelSet");c(c$,"checkPoint",function(a){for(var b=1;b<=this.numSet;b++)if(this.countPlusIndices[b]== +K(this.points.get(0).cardinality(),0);for(var d=0;dd)){var c=-1,g=Array(4),e=A(5,0),j=(new JM.Measurement).setPoints(b, +e,g,null);j.setCount(d);j.property=this.property;j.strFormat=this.strFormat;j.units=this.units;j.fixedValue=this.fixedValue;for(var k=-1,h=0;hb)(this.allowSelf&&!this.mustBeConnected&&!this.mustNotBeConnected||d.isValid())&& +((!this.mustBeConnected||d.isConnected(this.atoms,a))&&(!this.mustNotBeConnected||!d.isConnected(this.atoms,a))&&(null==this.intramolecular||d.isIntramolecular(this.atoms,a)==this.intramolecular.booleanValue()))&&this.client.processNextMeasure(d);else{var g=this.points.get(a),e=d.countPlusIndices,j=0==a?2147483647:e[a];if(0>j)this.nextMeasure(a+1,b,d,c);else{for(var k=!1,h=g.nextSetBit(0),r=0;0<=h;h=g.nextSetBit(h+1),r++)if(h!=j||this.allowSelf){var n=this.atoms[h].mi;if(0<=c&&this.justOneModel)if(0== +a)c=n;else if(c!=n)continue;e[a+1]=h;0==a&&(this.iFirstAtom=r);k=!0;this.nextMeasure(a+1,b,d,c)}k||this.nextMeasure(a+1,b,d,c)}}},"~N,~N,JM.Measurement,~N")});m("JM");x(["JM.Measurement"],"JM.MeasurementPending",null,function(){c$=u(function(){this.haveModified=this.haveTarget=!1;this.numSet=0;this.lastIndex=-1;t(this,arguments)},JM,"MeasurementPending",JM.Measurement);c(c$,"set",function(a){return this.setM(a,null,NaN,0,null,0)},"JM.ModelSet");c(c$,"checkPoint",function(a){for(var b=1;b<=this.numSet;b++)if(this.countPlusIndices[b]== -1-b&&0.01>this.pts[b-1].distance(a))return!1;return!0},"JU.Point3fi");c(c$,"getIndexOf",function(a){for(var b=1;b<=this.numSet;b++)if(this.countPlusIndices[b]==a)return b;return 0},"~N");h(c$,"setCount",function(a){this.setCountM(a);this.numSet=a},"~N");c(c$,"addPoint",function(a,b,d){this.haveModified=a!=this.lastIndex;this.lastIndex=a;if(null==b){if(0this.groupCount){this.groupCount=0;for(var a=this.chainCount;0<=--a;)this.groupCount+=this.chains[a].groupCount}return this.groupCount});c(c$,"getChainAt",function(a){return aa&&this.dataSourceFrame--;this.trajectoryBaseIndex>a&&this.trajectoryBaseIndex--;this.firstAtomIndex-=b;for(a=0;a=this.group3Of.length?null:this.group3Of[a]},"~N");c(c$,"getFirstAtomIndex", -function(a){return this.firstAtomIndexes[a]},"~N");c(c$,"getAtomCount",function(){return this.ms.ac});c(c$,"createModelSet",function(a,b,d){var c=null==a?0:a.getAtomCount(b);0this.baseModelIndex&&(this.baseModelIndex=this.baseModelCount-1),this.ms.mc=this.baseModelCount),this.ms.ac=this.baseAtomIndex=this.modelSet0.ac,this.ms.bondCount=this.modelSet0.bondCount,this.$mergeGroups= -this.modelSet0.getGroups(),this.groupCount=this.baseGroupIndex=this.$mergeGroups.length,this.ms.mergeModelArrays(this.modelSet0),this.ms.growAtomArrays(this.ms.ac+a)):(this.ms.mc=this.adapterModelCount,this.ms.ac=0,this.ms.bondCount=0,this.ms.at=Array(a),this.ms.bo=Array(250+a));this.doAddHydrogens&&this.jbr.initializeHydrogenAddition();1this.groupCount){this.groupCount=0;for(var a=this.chainCount;0<=--a;)this.groupCount+=this.chains[a].groupCount}return this.groupCount});c(c$,"getChainAt",function(a){return aa&&this.dataSourceFrame--;this.trajectoryBaseIndex>a&&this.trajectoryBaseIndex--;this.firstAtomIndex-=b;for(a=0;a=this.group3Of.length?null:this.group3Of[a]},"~N");c(c$,"getFirstAtomIndex",function(a){return this.firstAtomIndexes[a]},"~N");c(c$,"getAtomCount",function(){return this.ms.ac});c(c$,"createModelSet",function(a,b,d){var c=null==a?0:a.getAtomCount(b);0this.baseModelIndex||this.baseModelIndex>=this.baseModelCount)this.baseModelIndex=this.baseModelCount-1;this.ms.mc=this.baseModelCount}this.ms.ac=this.baseAtomIndex=this.modelSet0.ac;this.ms.bondCount=this.modelSet0.bondCount;this.$mergeGroups= +this.modelSet0.getGroups();this.groupCount=this.baseGroupIndex=this.$mergeGroups.length;this.ms.mergeModelArrays(this.modelSet0);this.ms.growAtomArrays(this.ms.ac+a)}else this.ms.mc=this.adapterModelCount,this.ms.ac=0,this.ms.bondCount=0,this.ms.at=Array(a),this.ms.bo=Array(250+a);this.doAddHydrogens&&this.jbr.initializeHydrogenAddition();1f.indexOf("Viewer.AddHydrogens")||!d.isModelKit){j=JU.PT.split(g,"\n");k=new JU.SB;for(g=0;gh||h!=d.loadState.lastIndexOf(j[g]))&&k.append(j[g]).appendC("\n");d.loadState+=d.loadScript.toString()+k.toString(); -d.loadScript=new JU.SB;0<=f.indexOf("load append ")&&f.append("; set appendNew true");d.loadScript.append(" ").appendSB(f).append(";\n")}if(this.isTrajectory){g=this.ms.mc-c+1;JU.Logger.info(g+" trajectory steps read");this.ms.setInfo(this.baseModelCount,"trajectoryStepCount",Integer.$valueOf(g));d=this.adapterModelCount;for(g=c;gf[0])for(k=0;kf[a]&&(h+=1E6);for(k=a;k=this.group3Of.length;)this.chainOf=JU.AU.doubleLength(this.chainOf),this.group3Of=JU.AU.doubleLengthS(this.group3Of),this.seqcodes=JU.AU.doubleLengthI(this.seqcodes),this.firstAtomIndexes= -JU.AU.doubleLengthI(this.firstAtomIndexes);this.firstAtomIndexes[this.groupCount]=this.ms.ac;this.chainOf[this.groupCount]=this.currentChain;this.group3Of[this.groupCount]=d;this.seqcodes[this.groupCount]=JM.Group.getSeqcodeFor(c,g);++this.groupCount}},"J.api.JmolAdapter,~N,~S,~N,~S,~B,~B");c(c$,"getOrAllocateChain",function(a,b){var d=a.getChain(b);if(null!=d)return d;a.chainCount==a.chains.length&&(a.chains=JU.AU.doubleLength(a.chains));return a.chains[a.chainCount++]=new JM.Chain(a,b,0==b||32== -b?0:++this.iChain)},"JM.Model,~N");c(c$,"iterateOverAllNewBonds",function(a,b){var d=a.getBondIterator(b);if(null!=d){var c=this.vwr.getMadBond();this.ms.defaultCovalentMad=null==this.jmolData?c:0;for(var g=!1;d.hasNext();){var f=d.getEncodedOrder(),j=f,k=this.bondAtoms(d.getAtomUniqueID1(),d.getAtomUniqueID2(),j);null!=k&&(1=c&&this.ms.bsSymmetry.set(b)}if(this.appendNew&&this.ms.someModelsHaveFractionalCoordinates){for(var a=this.ms.at,d=-1,c=null,g=!1,f=!this.vwr.g.legacyJavaFloat,b=this.baseAtomIndex;bm&&(m=this.ms.bondCount);if(g||c&&(0==m||p&&null==this.jmolData&&(this.ms.getMSInfoB("havePDBHeaderName")||m"):c=j.isProtein()?"p>":j.isNucleic()?"n>":j.isCarbohydrate()?"c>":"o>";null!=d&&(this.countGroup(this.ms.at[g].mi,c,d),j.isNucleic()&& -(d=null==this.htGroup1?null:this.htGroup1.get(d),null!=d&&(j.group1=d.charAt(0))));this.addGroup(b,j);this.groups[a]=j;j.groupIndex=a;for(a=f+1;--a>=g;)this.ms.at[a].group=j},"~N,JM.Chain,~S,~N,~N,~N");c(c$,"addGroup",function(a,b){a.groupCount==a.groups.length&&(a.groups=JU.AU.doubleLength(a.groups));a.groups[a.groupCount++]=b},"JM.Chain,JM.Group");c(c$,"countGroup",function(a,b,d){var c=a+1;if(!(null==this.group3Lists||null==this.group3Lists[c])){var g=(d+" ").substring(0,3),f=this.group3Lists[c].indexOf(g); -0>f&&(this.group3Lists[c]+=",["+g+"]",f=this.group3Lists[c].indexOf(g),this.group3Counts[c]=JU.AU.arrayCopyI(this.group3Counts[c],this.group3Counts[c].length+10));this.group3Counts[c][w(f/6)]++;f=this.group3Lists[c].indexOf(",["+g);0<=f&&(this.group3Lists[c]=this.group3Lists[c].substring(0,f)+b+this.group3Lists[c].substring(f+2));0<=a&&this.countGroup(-1,b,d)}},"~N,~S,~S");c(c$,"freeze",function(){this.htAtomMap.clear();this.ms.ac=JU.Elements.elementNumberMax&&(b=JU.Elements.elementNumberMax+JU.Elements.altElementIndexFromNumber(b));this.ms.elementsPresent[this.ms.at[a].mi].set(b)}});c(c$,"applyStereochemistry", -function(){this.set2dZ(this.baseAtomIndex,this.ms.ac);if(null!=this.vStereo){var a=new JU.BS;a.setBits(this.baseAtomIndex,this.ms.ac);for(var b=this.vStereo.size();0<=--b;){var d=this.vStereo.get(b),c=1025==d.order?3:-3;d.order=1;d.atom2.z!=d.atom1.z&&0>c==d.atom2.za)return c;var k=new JU.BS;k.or(d);0<=b&&k.clear(b);JM.ModelLoader.setBranch2dZ(this.ms.at[a],c,k,g,f,j);return c},"~N,~N,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3"); -c$.setBranch2dZ=c(c$,"setBranch2dZ",function(a,b,d,c,g,f){var j=a.i;if(d.get(j)&&(d.clear(j),b.set(j),null!=a.bonds))for(j=a.bonds.length;0<=--j;){var k=a.bonds[j];k.isHydrogen()||(k=k.getOtherAtom(a),JM.ModelLoader.setAtom2dZ(a,k,c,g,f),JM.ModelLoader.setBranch2dZ(k,b,d,c,g,f))}},"JM.Atom,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3");c$.setAtom2dZ=c(c$,"setAtom2dZ",function(a,b,d,c,g){d.sub2(b,a);d.z=0;d.normalize();g.cross(c,d);d=Math.acos(d.dot(c));b.z=a.z+0.8*Math.sin(4*d)},"JM.Atom,JM.Atom,JU.V3,JU.V3,JU.V3"); -c(c$,"finalizeShapes",function(){this.ms.sm=this.vwr.shm;this.ms.sm.setModelSet(this.ms);this.ms.setBsHidden(this.vwr.slm.getHiddenSet());this.merging||this.ms.sm.resetShapes();this.ms.sm.loadDefaultShapes(this.ms);this.ms.someModelsHaveAromaticBonds&&this.vwr.getBoolean(603979944)&&this.ms.assignAromaticBondsBs(!1,null);this.merging&&1==this.baseModelCount&&this.ms.sm.setShapePropertyBs(6,"clearModelIndex",null,null)});c(c$,"undeleteAtom",function(a){this.ms.at[a].valence=0},"~N");c$.createAtomDataSet= -c(c$,"createAtomDataSet",function(a,b,d,c,g){if(null==c)return null;var f=a.getModelAdapter(),j=new JU.P3,k=b.at,h=a.getFloat(570425363);if(null!=b.unitCells)for(var n=g.nextSetBit(0);0<=n;n=g.nextSetBit(n+1))if(null!=k[n].atomSymmetry){h=-h;break}for(var n=-1,m=0,p=JU.BSUtil.cardinalityOf(g)==a.ms.ac,y=f.getAtomIterator(c);y.hasNext();){var u=y.getXYZ();if(!Float.isNaN(u.x+u.y+u.z))if(1145047050==d){n=g.nextSetBit(n+1);if(0>n)break;m++;JU.Logger.debugging&&JU.Logger.debug("atomIndex = "+n+": "+k[n]+ -" --\x3e ("+u.x+","+u.y+","+u.z);b.setAtomCoord(n,u.x,u.y,u.z)}else{j.setT(u);u=JU.BS.newN(b.ac);b.getAtomsWithin(h,j,u,-1);u.and(g);if(p)if(m=JU.BSUtil.cardinalityOf(u),0==m){JU.Logger.warn("createAtomDataSet: no atom found at position "+j);continue}else 1e.indexOf("Viewer.AddHydrogens")||!d.isModelKit){j=JU.PT.split(g,"\n");k=new JU.SB;for(g=0;gh||h!=d.loadState.lastIndexOf(j[g]))&&k.append(j[g]).appendC("\n");d.loadState+= +d.loadScript.toString()+k.toString();d.loadScript=new JU.SB;if(0<=e.indexOf("load append ")||0<=e.indexOf('data "append '))e.insert(0,";var anew = appendNew;"),e.append(";set appendNew anew");d.loadScript.append(" ").appendSB(e).append(";\n")}if(this.isTrajectory){g=this.ms.mc-c+1;JU.Logger.info(g+" trajectory steps read");this.ms.setInfo(this.baseModelCount,"trajectoryStepCount",Integer.$valueOf(g));d=this.adapterModelCount;for(g=c;ge[0])for(k=0;ke[a]&&(h+=1E6);for(k=a;kd&&(d=g[e].mi,k[d].firstAtomIndex=e,h=this.ms.getDefaultVdwType(d),h!==c&&(JU.Logger.info("Default Van der Waals type for model set to "+h.getVdwLabel()),c=h));JU.Logger.info(j+" atoms created")},"J.api.JmolAdapter,~O");c(c$,"addJmolDataProperties",function(a,b){if(null!=b)for(var d=a.bsAtoms,c=d.cardinality(),g,e=b.entrySet().iterator();e.hasNext()&&((g=e.next())||1);){var j=g.getKey(),k=g.getValue();if(k.length!=c)break;var h=j.startsWith("property_")? +1715472409:JS.T.getTokFromName(j);switch(h){default:if(JS.T.tokAttr(h,2048)){this.vwr.setAtomProperty(d,h,0,0,null,k,null);break}case 1111492629:case 1111492630:case 1111492631:j="property_"+j;case 1715472409:this.vwr.setData(j,v(-1,[j,k,d,Integer.$valueOf(1)]),0,0,0,0,0)}}},"JM.Model,java.util.Map");c(c$,"getPdbCharge",function(a,b){return a.equals("ARG")&&b.equals("NH1")||a.equals("LYS")&&b.equals("NZ")||a.equals("HIS")&&b.equals("ND1")?1:0},"~S,~S");c(c$,"addAtom",function(a,b,d,c,g,e,j,k,h,r, +n,q,m,y,p,s,t,u,v,w){var x=0,z=null;if(null!=e){var A;if(0<=(A=e.indexOf("\x00")))z=e.substring(A+1),e=e.substring(0,A);a&&(0<=e.indexOf("*")&&(e=e.$replace("*","'")),x=this.vwr.getJBR().lookupSpecialAtomID(e),2==x&&"CA".equalsIgnoreCase(s)&&(x=0))}a=this.ms.addAtom(this.iModel,this.nullGroup,g,e,z,y,p,d,q,v,t,j,k,r,n,h,m,x,b,w);a.altloc=u;this.htAtomMap.put(c,a)},"~B,JU.BS,~N,~O,~N,~S,~N,~N,JU.Lst,~N,~N,JU.P3,~B,~N,~N,~S,JU.V3,~S,~N,~N");c(c$,"checkNewGroup",function(a,b,d,c,g,e,j){var k=null==d? +null:d.intern();b!=this.currentChainID&&(this.currentChainID=b,this.currentChain=this.getOrAllocateChain(this.model,b),this.currentGroupInsertionCode="\uffff",this.currentGroupSequenceNumber=-1,this.currentGroup3="xxxx",this.isNewChain=!0);if(c!=this.currentGroupSequenceNumber||g!=this.currentGroupInsertionCode||k!==this.currentGroup3){0=this.group3Of.length;)this.chainOf=JU.AU.doubleLength(this.chainOf),this.group3Of=JU.AU.doubleLengthS(this.group3Of),this.seqcodes=JU.AU.doubleLengthI(this.seqcodes),this.firstAtomIndexes=JU.AU.doubleLengthI(this.firstAtomIndexes);this.firstAtomIndexes[this.groupCount]=this.ms.ac;this.chainOf[this.groupCount]=this.currentChain;this.group3Of[this.groupCount]=d;this.seqcodes[this.groupCount]=JM.Group.getSeqcodeFor(c,g);++this.groupCount}}, +"J.api.JmolAdapter,~N,~S,~N,~S,~B,~B");c(c$,"getOrAllocateChain",function(a,b){var d=a.getChain(b);if(null!=d)return d;a.chainCount==a.chains.length&&(a.chains=JU.AU.doubleLength(a.chains));return a.chains[a.chainCount++]=new JM.Chain(a,b,0==b||32==b?0:++this.iChain)},"JM.Model,~N");c(c$,"iterateOverAllNewBonds",function(a,b){var d=a.getBondIterator(b);if(null!=d){var c=this.vwr.getMadBond();this.ms.defaultCovalentMad=null==this.jmolData?c:0;for(var g=!1;d.hasNext();){var e=d.getEncodedOrder(),j= +e,k=this.bondAtoms(d.getAtomUniqueID1(),d.getAtomUniqueID2(),j);null!=k&&(1=c&&this.ms.bsSymmetry.set(b)}if(this.appendNew&&this.ms.someModelsHaveFractionalCoordinates){for(var a=this.ms.at,d=-1,c=null,g=!1,e=!this.vwr.g.legacyJavaFloat,b=this.baseAtomIndex;bn&&(n=this.ms.bondCount);if(j||e&&(0==n||q&&null==this.jmolData&&(this.ms.getMSInfoB("havePDBHeaderName")||n"):c=j.isProtein()?"p>":j.isNucleic()?"n>":j.isCarbohydrate()?"c>":"o>";null!=d&&(this.countGroup(this.ms.at[g].mi,c,d),j.isNucleic()&&(d=null==this.htGroup1?null:this.htGroup1.get(d),null!=d&&(j.group1=d.charAt(0))));this.addGroup(b, +j);this.groups[a]=j;j.groupIndex=a;for(a=e+1;--a>=g;)this.ms.at[a].group=j},"~N,JM.Chain,~S,~N,~N,~N");c(c$,"addGroup",function(a,b){a.groupCount==a.groups.length&&(a.groups=JU.AU.doubleLength(a.groups));a.groups[a.groupCount++]=b},"JM.Chain,JM.Group");c(c$,"countGroup",function(a,b,d){var c=a+1;if(!(null==this.group3Lists||null==this.group3Lists[c])){var g=(d+" ").substring(0,3),e=this.group3Lists[c].indexOf(g);0>e&&(this.group3Lists[c]+=",["+g+"]",e=this.group3Lists[c].indexOf(g),this.group3Counts[c]= +JU.AU.arrayCopyI(this.group3Counts[c],this.group3Counts[c].length+10));this.group3Counts[c][w(e/6)]++;e=this.group3Lists[c].indexOf(",["+g);0<=e&&(this.group3Lists[c]=this.group3Lists[c].substring(0,e)+b+this.group3Lists[c].substring(e+2));0<=a&&this.countGroup(-1,b,d)}},"~N,~S,~S");c(c$,"freeze",function(){this.htAtomMap.clear();this.ms.ac=JU.Elements.elementNumberMax&&(d=JU.Elements.elementNumberMax+JU.Elements.altElementIndexFromNumber(d));this.ms.elementsPresent[b.mi].set(d)}}});c(c$,"applyStereochemistry",function(){this.set2DLengths(this.baseAtomIndex, +this.ms.ac);var a=new JU.V3;if(null!=this.vStereo){var b=this.vStereo.size();a:for(;0<=--b;)for(var d=this.vStereo.get(b),c=d.atom1,g=c.bonds,e=c.getBondCount();0<=--e;){var j=g[e];if(j!==d&&(j=j.getOtherAtom(c),a.sub2(j,c),0.1>Math.abs(a.x))){1025==d.order==0>a.y&&(this.stereodir=-1);break a}}}this.set2dZ(this.baseAtomIndex,this.ms.ac,a);if(null!=this.vStereo){a=new JU.BS;a.setBits(this.baseAtomIndex,this.ms.ac);for(b=this.vStereo.size();0<=--b;){d=this.vStereo.get(b);c=1025==d.order?3:-3;d.order= +1;d.atom2.z!=d.atom1.z&&0>c==d.atom2.zg&&(d+=h.distance(e),c++)}}if(0!=c){d=1.45/(d/c);for(g=a;ga)return c;var h=new JU.BS;h.or(d);0<=b&&h.clear(b);JM.ModelLoader.setBranch2dZ(this.ms.at[a], +c,h,g,e,j,k);return c},"~N,~N,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3,~N");c$.setBranch2dZ=c(c$,"setBranch2dZ",function(a,b,d,c,g,e,j){var k=a.i;if(d.get(k)&&(d.clear(k),b.set(k),null!=a.bonds))for(k=a.bonds.length;0<=--k;){var h=a.bonds[k];h.isHydrogen()||(h=h.getOtherAtom(a),JM.ModelLoader.setAtom2dZ(a,h,c,g,e,j),JM.ModelLoader.setBranch2dZ(h,b,d,c,g,e,j))}},"JM.Atom,JU.BS,JU.BS,JU.V3,JU.V3,JU.V3,~N");c$.setAtom2dZ=c(c$,"setAtom2dZ",function(a,b,d,c,g,e){d.sub2(b,a);d.z=0;d.normalize();g.cross(c,d);d=Math.acos(d.dot(c)); +e=0.4*-e*Math.sin(4*d);b.z=a.z+e},"JM.Atom,JM.Atom,JU.V3,JU.V3,JU.V3,~N");c(c$,"finalizeShapes",function(){this.ms.sm=this.vwr.shm;this.ms.sm.setModelSet(this.ms);this.ms.setBsHidden(this.vwr.slm.getHiddenSet());this.merging||this.ms.sm.resetShapes();this.ms.sm.loadDefaultShapes(this.ms);this.ms.someModelsHaveAromaticBonds&&this.vwr.getBoolean(603979944)&&this.ms.assignAromaticBondsBs(!1,null);this.merging&&1==this.baseModelCount&&this.ms.sm.setShapePropertyBs(6,"clearModelIndex",null,null)});c(c$, +"undeleteAtom",function(a){this.ms.at[a].valence=0},"~N");c$.createAtomDataSet=c(c$,"createAtomDataSet",function(a,b,d,c,g){if(null==c)return null;var e=a.getModelAdapter(),j=new JU.P3,k=b.at,h=a.getFloat(570425363);if(null!=b.unitCells)for(var r=g.nextSetBit(0);0<=r;r=g.nextSetBit(r+1))if(null!=k[r].atomSymmetry){h=-h;break}for(var r=-1,n=0,q=JU.BSUtil.cardinalityOf(g)==a.ms.ac,m=e.getAtomIterator(c);m.hasNext();){var y=m.getXYZ();if(!Float.isNaN(y.x+y.y+y.z))if(1145047050==d){r=g.nextSetBit(r+1); +if(0>r)break;n++;JU.Logger.debugging&&JU.Logger.debug("atomIndex = "+r+": "+k[r]+" --\x3e ("+y.x+","+y.y+","+y.z);b.setAtomCoord(r,y.x,y.y,y.z)}else{j.setT(y);y=JU.BS.newN(b.ac);b.getAtomsWithin(h,j,y,-1);y.and(g);if(q)if(n=JU.BSUtil.cardinalityOf(y),0==n){JU.Logger.warn("createAtomDataSet: no atom found at position "+j);continue}else 1a&&this.modelNumbers[b]==1E6+a)return b;return-1}if(1E6>a)return a;for(b=0;b=this.translations.length?null:this.translations[a]},"~N");c(c$,"translateModel",function(a,b){if(null==b){var d=this.getTranslation(a);null!=d&&(b=JU.P3.newP(d),b.scale(-1),this.translateModel(a,b),this.translations[a]=null)}else{if(null==this.translations||this.translations.length<=a)this.translations=Array(this.mc);null==this.translations[a]&&(this.translations[a]=new JU.P3);this.translations[a].add(b);for(var d=this.am[a].bsAtoms,c=d.nextSetBit(0);0<=c;c=d.nextSetBit(c+1))this.at[c].add(b)}}, -"~N,JU.T3");c(c$,"getFrameOffsets",function(a,b){if(null==a){if(b)for(var d=this.mc;0<=--d;){var c=this.am[d];!c.isJmolDataFrame&&!c.isTrajectory&&this.translateModel(c.modelIndex,null)}return null}if(0>a.nextSetBit(0))return null;if(b){for(var g=JU.BSUtil.copy(a),f=null,j=new JU.P3,d=0;dc&&0s&&0<=j&&(s=this.at[j].mi),0>s&&(s=this.vwr.getVisibleFramesBitSet().nextSetBit(0),a=null),p=this.vwr.getModelUndeletedAtomsBitSet(s),q=null!=a&&p.cardinality()!=a.cardinality(),null!=a&&p.and(a),j=p.nextSetBit(0),0>j&&(p=this.vwr.getModelUndeletedAtomsBitSet(s),j=p.nextSetBit(0)), -u=this.vwr.shm.getShapePropertyIndex(18,"mad",j),y=null!=u&&0!=u.intValue()||this.vwr.tm.vibrationOn,u=null!=c&&0<=c.toUpperCase().indexOf(":POLY")){n=A(-1,[Integer.$valueOf(j),null]);this.vwr.shm.getShapePropertyData(21,"points",n);j=n[1];if(null==j)return null;p=null;y=!1;n=null}else j=this.at;null!=c&&0<=c.indexOf(":")&&(c=c.substring(0,c.indexOf(":")));n=m.setPointGroup(n,k,j,p,y,r?0:this.vwr.getFloat(570425382),this.vwr.getFloat(570425384),q);!u&&!r&&(this.pointGroup=n);if(!b&&!d)return n.getPointGroupName(); -b=n.getPointGroupInfo(s,h,d,c,g,f);return d?b:(1m||0>p||m>j||p>j))if(m=n[m]-1,p=n[p]-1,!(0>m||0>p)){var y=this.at[m],u=this.at[p];null!=d&&(y.isHetero()&&d.set(m),u.isHetero()&&d.set(p));if(y.altloc==u.altloc||"\x00"==y.altloc||"\x00"==u.altloc)this.getOrAddBond(y,u,k,2048==k?1:c,null,0,!1)}}}}},"~N,~N,JU.BS");c(c$,"deleteAllBonds",function(){this.moleculeCount=0;for(var a=this.stateScripts.size();0<= ---a;)this.stateScripts.get(a).isConnect()&&this.stateScripts.removeItemAt(a);this.deleteAllBonds2()});c(c$,"includeAllRelatedFrames",function(a){for(var b=0,d=0;dd;)g[p].fixIndices(f,h,n);this.vwr.shm.deleteShapeAtoms(A(-1,[c,this.at,B(-1,[f,m,h])]),n);this.mc--}}else f++;this.haveBioModels=!1;for(d=this.mc;0<=--d;)this.am[d].isBioModel&&(this.haveBioModels=!0,this.bioModelset.set(this.vwr,this));this.validateBspf(!1); -this.bsAll=null;this.resetMolecules();this.isBbcageDefault=!1;this.calcBoundBoxDimensions(null,1);return b},"JU.BS");c(c$,"resetMolecules",function(){this.molecules=null;this.moleculeCount=0;this.resetChirality()});c(c$,"resetChirality",function(){if(this.haveChirality)for(var a=-1,b=this.ac;0<=--b;){var d=this.at[b];d.setCIPChirality(0);d.mi!=a&&(this.am[a=d.mi].hasChirality=!1)}});c(c$,"deleteModel",function(a,b,d,c,g){if(!(0>a)){this.modelNumbers=JU.AU.deleteElements(this.modelNumbers,a,1);this.modelFileNumbers= -JU.AU.deleteElements(this.modelFileNumbers,a,1);this.modelNumbersForAtomLabel=JU.AU.deleteElements(this.modelNumbersForAtomLabel,a,1);this.modelNames=JU.AU.deleteElements(this.modelNames,a,1);this.frameTitles=JU.AU.deleteElements(this.frameTitles,a,1);this.thisStateModel=-1;var f=this.getInfoM("group3Lists"),j=this.getInfoM("group3Counts"),k=a+1;if(null!=f&&null!=f[k])for(var h=w(f[k].length/6);0<=--h;)0c&&(c=0),d=w(Math.floor(2E3*c))):k=new J.atomdata.RadiusData(f,0,null,null);this.sm.setShapeSizeBs(JV.JC.shapeTokenIndex(b),d,k,a);return}this.setAPm(a,b,d,c,g,f,j)},"JU.BS,~N,~N,~N,~S,~A,~A");c(c$,"getFileData",function(a){if(0>a)return"";var b=this.getInfo(a,"fileData");if(null!= -b)return b;if(!this.getInfoB(a,"isCIF"))return this.getPDBHeader(a);b=this.vwr.getCifData(a);this.setInfo(a,"fileData",b);return b},"~N");c(c$,"addHydrogens",function(a,b){var d=this.mc-1,c=new JU.BS;if(this.isTrajectory(d)||1a||a>=this.mc?null:null!=this.am[a].simpleCage?this.am[a].simpleCage:null!=this.unitCells&&athis.mc?"":0<=a?this.modelNames[a]:this.modelNumbersForAtomLabel[-1-a]},"~N");c(c$,"getModelTitle",function(a){return this.getInfo(a,"title")},"~N");c(c$,"getModelFileName",function(a){return this.getInfo(a,"fileName")},"~N"); -c(c$,"getModelFileType",function(a){return this.getInfo(a,"fileType")},"~N");c(c$,"setFrameTitle",function(a,b){if(q(b,String))for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))this.frameTitles[d]=b;else for(var d=a.nextSetBit(0),c=0;0<=d;d=a.nextSetBit(d+1))cd&&(d=a);return 0==d?10:d},"~N,JU.P3,~B");c(c$,"calcBoundBoxDimensions",function(a,b){null!=a&&0>a.nextSetBit(0)&& -(a=null);if(!(null==a&&this.isBbcageDefault||0==this.ac)){if(null==this.getDefaultBoundBox())this.bboxModels=this.getModelBS(this.bboxAtoms=JU.BSUtil.copy(a),!1),this.calcAtomsMinMax(a,this.boxInfo)==this.ac&&(this.isBbcageDefault=!0),null==a&&null!=this.unitCells&&this.calcUnitCellMinMax();else{var d=this.defaultBBox.getBoundBoxVertices();this.boxInfo.reset();for(var c=0;8>c;c++)this.boxInfo.addBoundBoxPoint(d[c])}this.boxInfo.setBbcage(b)}},"JU.BS,~N");c(c$,"getDefaultBoundBox",function(){var a= -this.getInfoM("boundbox");null==a?this.defaultBBox=null:(null==this.defaultBBox&&(this.defaultBBox=new JU.BoxInfo),this.defaultBBox.setBoundBoxFromOABC(a));return this.defaultBBox});c(c$,"getBoxInfo",function(a,b){if(null==a)return this.boxInfo;var d=new JU.BoxInfo;this.calcAtomsMinMax(a,d);d.setBbcage(b);return d},"JU.BS,~N");c(c$,"calcAtomsMinMax",function(a,b){b.reset();for(var d=0,c=null==a,g=c?this.ac-1:a.nextSetBit(0);0<=g;g=c?g-1:a.nextSetBit(g+1))d++,this.isJmolDataFrameForAtom(this.at[g])|| -b.addBoundBoxPoint(this.at[g]);return d},"JU.BS,JU.BoxInfo");c(c$,"calcUnitCellMinMax",function(){for(var a=new JU.P3,b=0;bg;g++)a.add2(c,d[g]),this.boxInfo.addBoundBoxPoint(a)});c(c$,"calcRotationRadiusBs",function(a){for(var b=this.getAtomSetCenter(a),d=0,c=a.nextSetBit(0);0<=c;c=a.nextSetBit(c+1)){var g=this.at[c],g=b.distance(g)+ -this.getRadiusVdwJmol(g);g>d&&(d=g)}return 0==d?10:d},"JU.BS");c(c$,"getCenterAndPoints",function(a,b){for(var d,c,g=b?1:0,f=a.size();0<=--f;){var j=a.get(f);d=j[0];q(j[1],JU.BS)?(c=j[1],g+=Math.min(d.cardinality(),c.cardinality())):g+=Math.min(d.cardinality(),j[1].length)}var k=A(2,g,null);b&&(k[0][0]=new JU.P3,k[1][0]=new JU.P3);for(f=a.size();0<=--f;)if(j=a.get(f),d=j[0],q(j[1],JU.BS)){c=j[1];for(var j=d.nextSetBit(0),h=c.nextSetBit(0);0<=j&&0<=h;j=d.nextSetBit(j+1),h=c.nextSetBit(h+1))k[0][--g]= -this.at[j],k[1][g]=this.at[h],b&&(k[0][0].add(this.at[j]),k[1][0].add(this.at[h]))}else{c=j[1];j=d.nextSetBit(0);for(h=0;0<=j&&hk?"all #"+k:this.getModelNumberDotted(k))+";\n "+a),this.thisStateModel= -k):this.thisStateModel=-1;a=new JM.StateScript(this.thisStateModel,a,b,d,c,g,j);a.isValid()&&this.stateScripts.addLast(a);return a},"~S,JU.BS,JU.BS,JU.BS,~S,~B,~B");c(c$,"freezeModels",function(){this.haveBioModels=!1;for(var a=this.mc;0<=--a;)this.haveBioModels=(new Boolean(this.haveBioModels|this.am[a].freeze())).valueOf()});c(c$,"getStructureList",function(){return this.vwr.getStructureList()});c(c$,"getInfoM",function(a){return null==this.msInfo?null:this.msInfo.get(a)},"~S");c(c$,"getMSInfoB", -function(a){a=this.getInfoM(a);return q(a,Boolean)&&a.booleanValue()},"~S");c(c$,"isTrajectory",function(a){return this.am[a].isTrajectory},"~N");c(c$,"isTrajectorySubFrame",function(a){return this.am[a].trajectoryBaseIndex!=a},"~N");c(c$,"isTrajectoryMeasurement",function(a){return null!=this.trajectory&&this.trajectory.hasMeasure(a)},"~A");c(c$,"getModelBS",function(a,b){var d=new JU.BS,c=0,g=null==a;b=(new Boolean(b&null!=this.trajectory)).valueOf();for(c=g?0:a.nextSetBit(0);0<=c&&ca.modelIndex?null==a.bsSelected?0:Math.max(0,a.bsSelected.nextSetBit(0)):this.am[a.modelIndex].firstAtomIndex,a.lastModelIndex=a.firstModelIndex=0==this.ac?0:this.at[a.firstAtomIndex].mi,a.modelName=this.getModelNumberDotted(a.firstModelIndex), -this.fillADa(a,b))},"J.atomdata.AtomData,~N");c(c$,"getModelNumberDotted",function(a){return 1>this.mc||a>=this.mc||0>a?"":JU.Escape.escapeModelFileNumber(this.modelFileNumbers[a])},"~N");c(c$,"getModelNumber",function(a){return this.modelNumbers[2147483647==a?this.mc-1:a]},"~N");c(c$,"getModelProperty",function(a,b){var d=this.am[a].properties;return null==d?null:d.getProperty(b)},"~N,~S");c(c$,"getModelAuxiliaryInfo",function(a){return 0>a?null:this.am[a].auxiliaryInfo},"~N");c(c$,"setInfo",function(a, -b,d){0<=a&&aa?null:this.am[a].auxiliaryInfo.get(b)},"~N,~S");c(c$,"getInfoB",function(a,b){var d=this.am[a].auxiliaryInfo;return null!=d&&d.containsKey(b)&&d.get(b).booleanValue()},"~N,~S");c(c$,"getInfoI",function(a,b){var d=this.am[a].auxiliaryInfo;return null!=d&&d.containsKey(b)?d.get(b).intValue():-2147483648},"~N,~S");c(c$,"getInsertionCountInModel",function(a){return this.am[a].insertionCount},"~N"); -c$.modelFileNumberFromFloat=c(c$,"modelFileNumberFromFloat",function(a){var b=w(Math.floor(a));for(a=w(Math.floor(1E4*(a-b+1E-5)));0!=a&&0==a%10;)a/=10;return 1E6*b+a},"~N");c(c$,"getChainCountInModelWater",function(a,b){if(0>a){for(var d=0,c=this.mc;0<=--c;)d+=this.am[c].getChainCount(b);return d}return this.am[a].getChainCount(b)},"~N,~B");c(c$,"getGroupCountInModel",function(a){if(0>a){a=0;for(var b=this.mc;0<=--b;)a+=this.am[b].getGroupCount();return a}return this.am[a].getGroupCount()},"~N"); -c(c$,"calcSelectedGroupsCount",function(){for(var a=this.vwr.bsA(),b=this.mc;0<=--b;)this.am[b].calcSelectedGroupsCount(a)});c(c$,"isJmolDataFrameForModel",function(a){return 0<=a&&aa.indexOf("deriv")&&(a=a.substring(0,a.indexOf(" ")),c.dataFrames.put(a,Integer.$valueOf(d)))},"~S,~N,~N");c(c$,"getJmolDataFrameIndex",function(a,b){if(null==this.am[a].dataFrames)return-1;var d=this.am[a].dataFrames.get(b);return null==d?-1:d.intValue()},"~N,~S");c(c$,"clearDataFrameReference",function(a){for(var b=0;ba)return"";if(this.am[a].isBioModel)return this.getPDBHeader(a);a=this.getInfo(a,"fileHeader");null==a&&(a=this.modelSetName);return null!=a?a:"no header information found"},"~N");c(c$,"getAltLocCountInModel",function(a){return this.am[a].altLocCount},"~N");c(c$,"getAltLocIndexInModel",function(a,b){if("\x00"==b)return 0;var d=this.getAltLocListInModel(a);return 0==d.length?0:d.indexOf(b)+1},"~N,~S"); -c(c$,"getInsertionCodeIndexInModel",function(a,b){if("\x00"==b)return 0;var d=this.getInsertionListInModel(a);return 0==d.length?0:d.indexOf(b)+1},"~N,~S");c(c$,"getAltLocListInModel",function(a){a=this.getInfo(a,"altLocs");return null==a?"":a},"~N");c(c$,"getInsertionListInModel",function(a){a=this.getInfo(a,"insertionCodes");return null==a?"":a},"~N");c(c$,"getModelSymmetryCount",function(a){return 0a||this.isTrajectory(a)||a>=this.mc-1?this.ac:this.am[a+1].firstAtomIndex,g=0>=a?0:this.am[a].firstAtomIndex;--c>=g;)if((0>a||this.at[c].mi==a)&&((1275072532==b||0==b)&&null!=(d=this.getModulation(c))||(4166==b||0==b)&&null!=(d=this.getVibration(c, -!1)))&&d.isNonzero())return c;return-1},"~N,~N");c(c$,"getModulationList",function(a,b,d){var c=new JU.Lst;if(null!=this.vibrations)for(var g=a.nextSetBit(0);0<=g;g=a.nextSetBit(g+1))q(this.vibrations[g],J.api.JmolModulationSet)?c.addLast(this.vibrations[g].getModulation(b,d)):c.addLast(Float.$valueOf("O"==b?NaN:-1));return c},"JU.BS,~S,JU.P3");c(c$,"getElementsPresentBitSet",function(a){if(0<=a)return this.elementsPresent[a];a=new JU.BS;for(var b=0;ba)return null;var b=this.getInfo(a,"dipole");null==b&&(b=this.getInfo(a,"DIPOLE_VEC"));return b},"~N");c(c$,"calculateMolecularDipole",function(a,b){if(null!=b){var d=b.nextSetBit(0);if(0>d)return null;a=this.at[d].mi}if(0>a)return null;var c=d=0,g=0,f= -0,j=new JU.V3,k=new JU.V3;null==b&&(b=this.getModelAtomBitSetIncludingDeleted(-1,!1));this.vwr.getOrCalcPartialCharges(this.am[a].bsAtoms,null);for(var h=b.nextSetBit(0);0<=h;h=b.nextSetBit(h+1))if(!(this.at[h].mi!=a||this.at[h].isDeleted())){var n=this.partialCharges[h];0>n?(c++,f+=n,k.scaleAdd2(n,this.at[h],k)):0a)return this.moleculeCount;for(var d=0;dd)return null;d=this.getUnitCell(this.at[d].mi);return null==d?null:d.notInCentroid(this,a,b)},"JU.BS,~A");c(c$,"getMolecules",function(){if(0b?a.setCenter(d,c):(this.initializeBspt(b),a.setModel(this,b,this.am[b].firstAtomIndex,2147483647,d,c,null))},"J.api.AtomIndexIterator,~N,JU.T3,~N");c(c$,"setIteratorForAtom",function(a,b,d,c,g){0>b&&(b=this.at[d].mi);b=this.am[b].trajectoryBaseIndex;this.initializeBspt(b);a.setModel(this,b,this.am[b].firstAtomIndex,d,this.at[d],c,g)},"J.api.AtomIndexIterator,~N,~N,~N,J.atomdata.RadiusData"); -c(c$,"getSelectedAtomIterator",function(a,b,d,c,g){this.initializeBspf();if(g){g=this.getModelBS(a,!1);for(var f=g.nextSetBit(0);0<=f;f=g.nextSetBit(f+1))this.initializeBspt(f);g=new JM.AtomIteratorWithinModelSet(g)}else g=new JM.AtomIteratorWithinModel;g.initialize(this.bspf,a,b,d,c,this.vwr.isParallel());return g},"JU.BS,~B,~B,~B,~B");h(c$,"getBondCountInModel",function(a){return 0>a?this.bondCount:this.am[a].getBondCount()},"~N");c(c$,"getAtomCountInModel",function(a){return 0>a?this.ac:this.am[a].act}, -"~N");c(c$,"getModelAtomBitSetIncludingDeletedBs",function(a){var b=new JU.BS;null==a&&null==this.bsAll&&(this.bsAll=JU.BSUtil.setAll(this.ac));if(null==a)b.or(this.bsAll);else for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))b.or(this.getModelAtomBitSetIncludingDeleted(d,!1));return b},"JU.BS");c(c$,"getModelAtomBitSetIncludingDeleted",function(a,b){var d=0>a?this.bsAll:this.am[a].bsAtoms;null==d&&(d=this.bsAll=JU.BSUtil.setAll(this.ac));return b?JU.BSUtil.copy(d):d},"~N,~B");c(c$,"getAtomBitsMaybeDeleted", -function(a,b){var d,c;switch(a){default:return this.getAtomBitsMDa(a,b,new JU.BS);case 1073741925:case 1073742189:case 1111490587:case 1073742128:case 1073741863:case 1086324744:return c=new JU.BS,this.haveBioModels?this.bioModelset.getAtomBitsStr(a,b,c):c;case 1677721602:case 1073742331:return this.getAtomBitsMDb(a,b);case 1678381065:var g=this.getBoxInfo(b,1);c=this.getAtomsWithin(g.getBoundBoxCornerVector().length()+1E-4,g.getBoundBoxCenter(),null,-1);for(d=c.nextSetBit(0);0<=d;d=c.nextSetBit(d+ -1))g.isWithin(this.at[d])||c.clear(d);return c;case 1094713349:c=new JU.BS;d=b;this.ptTemp1.set(d[0]/1E3,d[1]/1E3,d[2]/1E3);for(d=this.ac;0<=--d;)this.isInLatticeCell(d,this.ptTemp1,this.ptTemp2,!1)&&c.set(d);return c;case 1094713350:c=JU.BSUtil.newBitSet2(0,this.ac);d=b;g=B(-1,[w(d[0]/1E3)-1,w(d[1]/1E3)-1,w(d[2]/1E3)-1,w(d[0]/1E3),w(d[1]/1E3),w(d[2]/1E3),0]);for(d=this.mc;0<=--d;){var f=this.getUnitCell(d);null==f?JU.BSUtil.andNot(c,this.am[d].bsAtoms):c.andNot(f.notInCentroid(this,this.am[d].bsAtoms, -g))}return c;case 1094713360:return this.getMoleculeBitSet(b);case 1073742363:return this.getSelectCodeRange(b);case 2097196:c=JU.BS.newN(this.ac);g=-1;f=0;for(d=this.ac;0<=--d;){var j=this.at[d],h=j.atomSymmetry;if(null!=h){if(j.mi!=g){g=j.mi;if(null==this.getModelCellRange(g))continue;f=this.getModelSymmetryCount(g)}for(var j=0,l=f;0<=--l;)if(h.get(l)&&1<++j){c.set(d);break}}}return c;case 1088421903:return JU.BSUtil.copy(null==this.bsSymmetry?this.bsSymmetry=JU.BS.newN(this.ac):this.bsSymmetry); -case 1814695966:c=new JU.BS;if(null==this.vwr.getCurrentUnitCell())return c;this.ptTemp1.set(1,1,1);for(d=this.ac;0<=--d;)this.isInLatticeCell(d,this.ptTemp1,this.ptTemp2,!1)&&c.set(d);return c}},"~N,~O");c(c$,"getSelectCodeRange",function(a){var b=new JU.BS,d=a[0],c=a[1];a=a[2];var g=this.vwr.getBoolean(603979822);0<=a&&(300>a&&!g)&&(a=this.chainToUpper(a));for(var f=this.mc;0<=--f;)if(this.am[f].isBioModel)for(var j=this.am[f],h,l=j.chainCount;0<=--l;){var n=j.chains[l];if(-1==a||a==(h=n.chainID)|| -!g&&0h&&a==this.chainToUpper(h))for(var m=n.groups,n=n.groupCount,p=0;0<=p;)p=JM.ModelSet.selectSeqcodeRange(m,n,p,d,c,b)}return b},"~A");c$.selectSeqcodeRange=c(c$,"selectSeqcodeRange",function(a,b,d,c,g,f){var j,h,l,n=!1;for(h=d;hc&&j-ca?this.getAtomsWithin(a,this.at[l].getFractionalUnitCoordPt(d,!0,h),g,-1):(this.setIteratorForAtom(j,n,l,a,c),j.addAtoms(g)))}else{g.or(b);for(l=b.nextSetBit(0);0<=l;l=b.nextSetBit(l+1))0>a?this.getAtomsWithin(a,this.at[l],g,this.at[l].mi):(this.setIteratorForAtom(j,-1,l,a,c),j.addAtoms(g))}j.release();return g},"~N,JU.BS,~B,J.atomdata.RadiusData");c(c$, -"getAtomsWithin",function(a,b,d,c){null==d&&(d=new JU.BS);if(0>a){a=-a;for(var g=this.ac;0<=--g;){var f=this.at[g];0<=c&&this.at[g].mi!=c||!d.get(g)&&f.getFractionalUnitDistance(b,this.ptTemp1,this.ptTemp2)<=a&&d.set(f.i)}return d}c=this.getIterativeModels(!0);g=this.getSelectedAtomIterator(null,!1,!1,!1,!1);for(f=this.mc;0<=--f;)c.get(f)&&!this.am[f].bsAtoms.isEmpty()&&(this.setIteratorForAtom(g,-1,this.am[f].firstAtomIndex,-1,null),g.setCenter(b,a),g.addAtoms(d));g.release();return d},"~N,JU.T3,JU.BS,~N"); -c(c$,"deleteBonds",function(a,b){if(!b)for(var d=new JU.BS,c=new JU.BS,g=a.nextSetBit(0);0<=g;g=a.nextSetBit(g+1)){var f=this.bo[g].atom1;this.am[f.mi].isModelKit||(d.clearAll(),c.clearAll(),d.set(f.i),c.set(this.bo[g].getAtomIndex2()),this.addStateScript("connect ",null,d,c,"delete",!1,!0))}this.dBb(a,b)},"JU.BS,~B");c(c$,"makeConnections2",function(a,b,d,c,g,f,j,h,l,n){null==j&&(j=new JU.BS);var m=65535==d,p=131071==d,y=65537==d;p&&(d=1);var u=JU.Edge.isOrderH(d),q=!1,r=!1,s=!1,t=!1;switch(c){case 12291:return this.deleteConnections(a, -b,d,g,f,h,p);case 603979872:case 1073741852:if(515!=d){if(h){a=g;g=new JU.BS;f=new JU.BS;for(var v=a.nextSetBit(0);0<=v;v=a.nextSetBit(v+1))g.set(this.bo[v].atom1.i),f.set(this.bo[v].atom2.i)}return B(-1,[u?this.autoHbond(g,f,!1):this.autoBondBs4(g,f,null,j,this.vwr.getMadBond(),603979872==c),0])}r=t=!0;break;case 1086324745:q=r=!0;break;case 1073742025:r=!0;break;case 1073741904:s=!0}c=!q||m;m=!q&&!m;this.defaultCovalentMad=this.vwr.getMadBond();var p=0>a,w=0>b,x=p||w,z=!h||0.1!=a||1E8!=b;z&&(a= -this.fixD(a,p),b=this.fixD(b,w));var A=this.getDefaultMadFromOrder(d),C=0,E=0,F=null,H=null,I=null,K="\x00",L=d|131072,M=0!=(d&512);try{for(v=g.nextSetBit(0);0<=v;v=g.nextSetBit(v+1)){if(h)F=this.bo[v],H=F.atom1,I=F.atom2;else{H=this.at[v];if(H.isDeleted())continue;K=this.isModulated(v)?"\x00":H.altloc}for(var O=h?0:f.nextSetBit(0);0<=O;O=f.nextSetBit(O+1)){if(h)O=2147483646;else{if(O==v)continue;I=this.at[O];if(H.mi!=I.mi||I.isDeleted())continue;if("\x00"!=K&&K!=I.altloc&&"\x00"!=I.altloc)continue; -F=H.getBond(I)}if(!(null==F?r:s)&&!(z&&!this.isInRange(H,I,a,b,p,w,x)||M&&!this.allowAromaticBond(F)))if(null==F)j.set(this.bondAtoms(H,I,d,A,j,n,l,!0).index),C++;else if(m&&(F.setOrder(d),y&&F.setAtropisomerOptions(g,f),this.bsAromatic.clear(F.index)),c||d==F.order||L==F.order||u&&F.isHydrogen())j.set(F.index),E++}}}catch(P){if(!D(P,Exception))throw P;}t&&this.assignAromaticBondsBs(!0,j);q||this.sm.setShapeSizeBs(1,-2147483648,null,j);return B(-1,[C,E])},"~N,~N,~N,~N,JU.BS,JU.BS,JU.BS,~B,~B,~N"); -c(c$,"autoBondBs4",function(a,b,d,c,g,f){if(f)return this.autoBond_Pre_11_9_24(a,b,d,c,g);if(0==this.ac)return 0;0==g&&(g=1);1.4E-45==this.maxBondingRadius&&this.findMaxRadii();f=this.vwr.getFloat(570425348);var j=this.vwr.getFloat(570425364),j=j*j,h=0;this.showRebondTimes&&JU.Logger.startTimer("autobond");var l=-1,n=null==a,m,p;n?(p=0,m=null):(a.equals(b)?m=a:(m=JU.BSUtil.copy(a),m.or(b)),p=m.nextSetBit(0));for(var y=this.getSelectedAtomIterator(null,!1,!1,!0,!1),u=!1;0<=p&&pthis.occupancies[p]!=50>this.occupancies[x])||(x=this.isBondable(t,w.getBondingRadius(),y.foundDistance2(),j,f)?1:0,0f&&0>j||0JM.ModelSet.hbondMaxReal&&(j=JM.ModelSet.hbondMaxReal),h=1):h=JM.ModelSet.hbondMinRasmol*JM.ModelSet.hbondMinRasmol;var l=j*j,n=3.141592653589793*this.vwr.getFloat(570425360)/180,m=0,p=0,y=new JU.V3,u=new JU.V3;this.showRebondTimes&&JU.Logger.debugging&&JU.Logger.startTimer("hbond");var q=null,r=null;b=this.getSelectedAtomIterator(b,!1,!1,!1,!1);for(g=a.nextSetBit(0);0<=g;g=a.nextSetBit(g+1)){var s=this.at[g],t=s.getElementNumber(),v=1==t;if(!(v?!d:d||7!=t&&8!=t)){if(v){var t=!1,w=s.bonds; -if(null==w)continue;for(var x=!1,z=0;!x&&zl||t&&f.get(w.i)||s.isBonded(w))){if(0\n');if(null!=this.modelSetProperties){for(var b=this.modelSetProperties.propertyNames();b.hasMoreElements();){var d=b.nextElement();a.append('\n ');a.append("\n");return a.toString()});c(c$,"getSymmetryInfoAsString",function(){for(var a=(new JU.SB).append("Symmetry Information:"),b=0;b=this.at.length&&this.growAtomArrays(this.ac+100);this.at[this.ac]=h;this.setBFactor(this.ac,q,!1);this.setOccupancy(this.ac, -u,!1);this.setPartialCharge(this.ac,y,!1);null!=r&&this.setAtomTensors(this.ac,r);h.group=b;h.colixAtom=this.vwr.cm.getColixAtomPalette(h,J.c.PAL.CPK.id);null!=c&&(null!=g&&(null==this.atomTypes&&(this.atomTypes=Array(this.at.length)),this.atomTypes[this.ac]=g),h.atomID=t,0==t&&(null==this.atomNames&&(this.atomNames=Array(this.at.length)),this.atomNames[this.ac]=c.intern()));-2147483648!=f&&(null==this.atomSerials&&(this.atomSerials=B(this.at.length,0)),this.atomSerials[this.ac]=f);0!=j&&(null==this.atomSeqIDs&& -(this.atomSeqIDs=B(this.at.length,0)),this.atomSeqIDs[this.ac]=j);null!=m&&this.setVibrationVector(this.ac,m);this.ac++;return h},"~N,JM.Group,~N,~S,~S,~N,~N,~N,JU.P3,~N,JU.V3,~N,~N,~N,~N,JU.Lst,~B,~N,JU.BS");c(c$,"getInlineData",function(a){var b=null;if(0<=a)b=this.am[a].loadScript;else for(a=this.mc;0<=--a&&!(0<(b=this.am[a].loadScript).length()););a=b.lastIndexOf('data "');if(0>a)return b=JU.PT.getQuotedStringAt(b.toString(),0),JS.ScriptCompiler.unescapeString(b,0,b.length);a=b.indexOf2('"',a+ -7);var d=b.lastIndexOf('end "');return da?null:b.substring2(a+2,d)},"~N");c(c$,"isAtomPDB",function(a){return 0<=a&&this.am[this.at[a].mi].isBioModel},"~N");c(c$,"isAtomInLastModel",function(a){return 0<=a&&this.at[a].mi==this.mc-1},"~N");c(c$,"haveModelKit",function(){for(var a=0;ab&&(a=this.am[this.at[a].mi].firstAtomIndex);null==this.atomSerials&&(this.atomSerials=B(this.ac,0));null==this.atomNames&&(this.atomNames=Array(this.ac));for(var c=this.isXYZ&&this.vwr.getBoolean(603979978),g=2147483647,f=1;a=-b){if(0==this.atomSerials[a]||0>b)this.atomSerials[a]=ab)this.atomNames[a]=(j.getElementSymbol()+ -this.atomSerials[a]).intern()}(!this.am[g].isModelKit||0c.length)){var g=C(c[0]),f=0>g;f&&(g=-1-g);var j=C(c[1]);if(!(0>j||g>=this.ac||j>=this.ac)){var h=2h&&(h&= -65535);var l=3h;)if(c=this.at[a[h]],g=this.at[a[l]],c.isBonded(g))for(var n=d;0<=--n;)if(n!=h&&n!=l&&(f=this.at[a[n]]).isBonded(c))for(var m=d;0<=--m;)if(m!=h&&m!=l&&m!=n&&(j=this.at[a[m]]).isBonded(g)){var p=B(4,0);p[0]=f.i;p[1]=c.i;p[2]=g.i;p[3]=j.i;b.addLast(p)}d=b.size();a=JU.AU.newInt2(d);for(h=d;0<=--h;)a[d-h-1]=b.get(h);return a},"~A");c(c$,"setModulation",function(a,b,d,c){if(null==this.bsModulated)if(b)this.bsModulated=new JU.BS;else if(null==a)return;null==a&&(a=this.getModelAtomBitSetIncludingDeleted(-1, -!1));for(var g=this.vwr.getFloat(1275072532),f=!1,j=a.nextSetBit(0);0<=j;j=a.nextSetBit(j+1)){var h=this.getModulation(j);null!=h&&(h.setModTQ(this.at[j],b,d,c,g),null!=this.bsModulated&&this.bsModulated.setBitTo(j,b),f=!0)}f||(this.bsModulated=null)},"JU.BS,~B,JU.P3,~B");c(c$,"getBoundBoxOrientation",function(a,b){var d=0,c=0,g=0,f=null,j=null,h=b.nextSetBit(0),l=0;if(0<=h){c=null==this.vOrientations?0:this.vOrientations.length;if(0==c){f=Array(3375);c=0;l=new JU.P4;for(d=-7;7>=d;d++)for(g=-7;7>= -g;g++)for(var 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this.bbVector});c(c$,"getBoundBoxPoints", -function(a){this.isScaleSet||this.setBbcage(1);return a?A(-1,[this.bbCenter,JU.P3.newP(this.bbVector),this.bbCorner0,this.bbCorner1]):A(-1,[this.bbCorner0,this.bbCorner1])},"~B");c(c$,"getBoundBoxVertices",function(){this.isScaleSet||this.setBbcage(1);return this.bbVertices});c(c$,"setBoundBoxFromOABC",function(a){for(var b=JU.P3.newP(a[0]),d=new JU.P3,c=0;4>c;c++)d.add(a[c]);this.setBoundBox(b,d,!0,1)},"~A");c(c$,"setBoundBox",function(a,b,d,c){if(null!=a){if(0==c)return;if(d){if(0==a.distance(b))return; 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f=b?c+1:2*JU.C.colixMax;2048c?JU.C.colixMax++:JU.C.colixMax},"~N,~B");c$.setLastGrey=c(c$,"setLastGrey",function(a){JU.C.calcArgbsGreyscale();JU.C.argbsGreyscale[2047]=JU.CU.toFFGGGfromRGB(a)},"~N");c$.calcArgbsGreyscale=c(c$,"calcArgbsGreyscale",function(){if(null==JU.C.argbsGreyscale){for(var a=B(JU.C.argbs.length,0),b=JU.C.argbs.length;4<=--b;)a[b]=JU.CU.toFFGGGfromRGB(JU.C.argbs[b]);JU.C.argbsGreyscale=a}});c$.getArgbGreyscale=c(c$,"getArgbGreyscale",function(a){null==JU.C.argbsGreyscale&& -JU.C.calcArgbsGreyscale();return JU.C.argbsGreyscale[a&-30721]},"~N");c$.getColixO=c(c$,"getColixO",function(a){if(null==a)return 0;if(q(a,J.c.PAL))return a===J.c.PAL.NONE?0:2;if(q(a,Integer))return JU.C.getColix(a.intValue());if(q(a,String))return JU.C.getColixS(a);if(q(a,Byte))return 0==a.byteValue()?0:2;JU.Logger.debugging&&JU.Logger.debug("?? getColix("+a+")");return 22},"~O");c$.getTranslucentFlag=c(c$,"getTranslucentFlag",function(a){return 0==a?0:0>a?30720:Float.isNaN(a)||255<=a||1==a?16384: +"~N,JU.T3");c(c$,"getFrameOffsets",function(a,b){if(null==a){if(b)for(var d=this.mc;0<=--d;){var c=this.am[d];!c.isJmolDataFrame&&!c.isTrajectory&&this.translateModel(c.modelIndex,null)}return null}if(0>a.nextSetBit(0))return null;if(b){for(var g=JU.BSUtil.copy(a),e=null,j=new JU.P3,d=0;dc&&0t&&0<=j&&(t=this.at[j].mi),0>t&&(t=this.vwr.getVisibleFramesBitSet().nextSetBit(0),a=null),q=this.vwr.getModelUndeletedAtomsBitSet(t),p=null!=a&&q.cardinality()!=a.cardinality(),null!=a&&q.and(a),j=q.nextSetBit(0),0>j&&(q=this.vwr.getModelUndeletedAtomsBitSet(t),j=q.nextSetBit(0)), +y=this.vwr.shm.getShapePropertyIndex(18,"mad",j),m=null!=y&&0!=y.intValue()||this.vwr.tm.vibrationOn,y=null!=c&&0<=c.toUpperCase().indexOf(":POLY")){r=v(-1,[Integer.$valueOf(j),null]);this.vwr.shm.getShapePropertyData(21,"points",r);j=r[1];if(null==j)return null;q=null;m=!1;r=null}else j=this.at;var u;if(null!=c&&0<=(u=c.indexOf(":")))c=c.substring(0,u);if(null!=c&&0<=(u=c.indexOf(".")))g=JU.PT.parseInt(c.substring(u+1)),0>g&&(g=0),c=c.substring(0,u);r=n.setPointGroup(r,k,j,q,m,s?0:this.vwr.getFloat(570425382), +this.vwr.getFloat(570425384),p);!y&&!s&&(this.pointGroup=r);if(!b&&!d)return r.getPointGroupName();b=r.getPointGroupInfo(t,h,d,c,g,e);return d?b:(1n||0>q||n>j||q>j))if(n=r[n]-1,q=r[q]-1,!(0>n||0>q)){var m=this.at[n],y=this.at[q];null!=d&&(m.isHetero()&&d.set(n),y.isHetero()&&d.set(q));if(m.altloc==y.altloc||"\x00"==m.altloc||"\x00"==y.altloc)this.getOrAddBond(m,y,k,2048==k?1:c,null,0,!1)}}}}}, +"~N,~N,JU.BS");c(c$,"deleteAllBonds",function(){this.moleculeCount=0;for(var a=this.stateScripts.size();0<=--a;)this.stateScripts.get(a).isConnect()&&this.stateScripts.removeItemAt(a);this.deleteAllBonds2()});c(c$,"includeAllRelatedFrames",function(a){for(var b=0,d=0;dd;)g[q].fixIndices(e,r,n);this.vwr.shm.deleteShapeAtoms(v(-1,[b,this.at,A(-1,[e,h,r])]),n);this.mc--}}else e++;this.haveBioModels=!1;for(d=this.mc;0<=--d;)this.am[d].isBioModel&&(this.haveBioModels=!0,this.bioModelset.set(this.vwr,this));this.validateBspf(!1);this.bsAll=null;this.resetMolecules();this.isBbcageDefault=!1;this.calcBoundBoxDimensions(null,1);return c},"JU.BS");c(c$,"resetMolecules", +function(){this.molecules=this.bsAll=null;this.moleculeCount=0;this.resetChirality()});c(c$,"resetChirality",function(){if(this.haveChirality)for(var a=-1,b=this.ac;0<=--b;){var d=this.at[b];null!=d&&(d.setCIPChirality(0),d.mi!=a&&d.mia)){this.modelNumbers=JU.AU.deleteElements(this.modelNumbers,a,1);this.modelFileNumbers=JU.AU.deleteElements(this.modelFileNumbers,a,1);this.modelNumbersForAtomLabel=JU.AU.deleteElements(this.modelNumbersForAtomLabel, +a,1);this.modelNames=JU.AU.deleteElements(this.modelNames,a,1);this.frameTitles=JU.AU.deleteElements(this.frameTitles,a,1);this.thisStateModel=-1;var c=this.getInfoM("group3Lists"),g=this.getInfoM("group3Counts"),e=a+1;if(null!=c&&null!=c[e])for(var j=w(c[e].length/6);0<=--j;)0c&&(c=0),d=w(Math.floor(2E3*c))):k=new J.atomdata.RadiusData(e,0,null,null);this.sm.setShapeSizeBs(JV.JC.shapeTokenIndex(b),d,k,a);return}this.setAPm(a,b,d,c,g,e,j)},"JU.BS,~N,~N,~N,~S,~A,~A");c(c$,"getFileData",function(a){if(0>a)return"";var b=this.getInfo(a,"fileData");if(null!=b)return b;if(!this.getInfoB(a,"isCIF"))return this.getPDBHeader(a);b=this.vwr.getCifData(a);this.setInfo(a,"fileData", +b);return b},"~N");c(c$,"addHydrogens",function(a,b){var d=this.mc-1,c=new JU.BS;if(this.isTrajectory(d)||1a||a>=this.mc?null:null!=this.am[a].simpleCage?this.am[a].simpleCage:null!=this.unitCells&&athis.mc?"":0<=a?this.modelNames[a]:this.modelNumbersForAtomLabel[-1-a]},"~N");c(c$,"getModelTitle",function(a){return this.getInfo(a,"title")},"~N");c(c$,"getModelFileName",function(a){return this.getInfo(a,"fileName")},"~N");c(c$,"getModelFileType",function(a){return this.getInfo(a,"fileType")},"~N");c(c$,"setFrameTitle",function(a,b){if(s(b,String))for(var d=a.nextSetBit(0);0<= +d;d=a.nextSetBit(d+1))this.frameTitles[d]=b;else for(var d=a.nextSetBit(0),c=0;0<=d;d=a.nextSetBit(d+1))cd&&(d=a));return 0==d?10:d},"~N,JU.P3,~B");c(c$,"calcBoundBoxDimensions",function(a,b){null!=a&&0>a.nextSetBit(0)&&(a=null);if(!(null==a&&this.isBbcageDefault||0==this.ac)){if(null==this.getDefaultBoundBox())this.bboxModels=this.getModelBS(this.bboxAtoms=JU.BSUtil.copy(a),!1),this.calcAtomsMinMax(a, +this.boxInfo)==this.ac&&(this.isBbcageDefault=!0),null==a&&null!=this.unitCells&&this.calcUnitCellMinMax();else{var d=this.defaultBBox.getBoundBoxVertices();this.boxInfo.reset();for(var c=0;8>c;c++)this.boxInfo.addBoundBoxPoint(d[c])}this.boxInfo.setBbcage(b)}},"JU.BS,~N");c(c$,"getDefaultBoundBox",function(){var a=this.getInfoM("boundbox");null==a?this.defaultBBox=null:(null==this.defaultBBox&&(this.defaultBBox=new JU.BoxInfo),this.defaultBBox.setBoundBoxFromOABC(a));return this.defaultBBox});c(c$, +"getBoxInfo",function(a,b){if(null==a)return this.boxInfo;var d=new JU.BoxInfo;this.calcAtomsMinMax(a,d);d.setBbcage(b);return d},"JU.BS,~N");c(c$,"calcAtomsMinMax",function(a,b){b.reset();for(var d=0,c=null==a,g=c?this.ac-1:a.nextSetBit(0);0<=g;g=c?g-1:a.nextSetBit(g+1))d++,this.isJmolDataFrameForAtom(this.at[g])||b.addBoundBoxPoint(this.at[g]);return d},"JU.BS,JU.BoxInfo");c(c$,"calcUnitCellMinMax",function(){for(var a=new JU.P3,b=0;bg;g++)a.add2(c,d[g]),this.boxInfo.addBoundBoxPoint(a)});c(c$,"calcRotationRadiusBs",function(a){for(var b=this.getAtomSetCenter(a),d=0,c=a.nextSetBit(0);0<=c;c=a.nextSetBit(c+1)){var g=this.at[c],g=b.distance(g)+this.getRadiusVdwJmol(g);g>d&&(d=g)}return 0==d?10:d},"JU.BS");c(c$,"getCenterAndPoints",function(a,b){for(var d,c,g=b?1:0,e=a.size();0<=--e;){var j=a.get(e);d=j[0];s(j[1],JU.BS)?(c=j[1],g+=Math.min(d.cardinality(), +c.cardinality())):g+=Math.min(d.cardinality(),j[1].length)}var k=v(2,g,null);b&&(k[0][0]=new JU.P3,k[1][0]=new JU.P3);for(e=a.size();0<=--e;)if(j=a.get(e),d=j[0],s(j[1],JU.BS)){c=j[1];for(var j=d.nextSetBit(0),h=c.nextSetBit(0);0<=j&&0<=h;j=d.nextSetBit(j+1),h=c.nextSetBit(h+1))k[0][--g]=this.at[j],k[1][g]=this.at[h],b&&(k[0][0].add(this.at[j]),k[1][0].add(this.at[h]))}else{c=j[1];j=d.nextSetBit(0);for(h=0;0<=j&&hk?"all #"+k:this.getModelNumberDotted(k))+";\n "+a),this.thisStateModel=k):this.thisStateModel=-1;a=new JM.StateScript(this.thisStateModel,a,b,d,c,g,j);a.isValid()&&this.stateScripts.addLast(a);return a},"~S,JU.BS,JU.BS,JU.BS,~S,~B,~B");c(c$,"freezeModels",function(){this.haveBioModels=!1;for(var a=this.mc;0<=--a;)this.haveBioModels= +(new Boolean(this.haveBioModels|this.am[a].freeze())).valueOf()});c(c$,"getStructureList",function(){return this.vwr.getStructureList()});c(c$,"getInfoM",function(a){return null==this.msInfo?null:this.msInfo.get(a)},"~S");c(c$,"getMSInfoB",function(a){a=this.getInfoM(a);return s(a,Boolean)&&a.booleanValue()},"~S");c(c$,"isTrajectory",function(a){return this.am[a].isTrajectory},"~N");c(c$,"isTrajectorySubFrame",function(a){return this.am[a].trajectoryBaseIndex!=a},"~N");c(c$,"isTrajectoryMeasurement", +function(a){return null!=this.trajectory&&this.trajectory.hasMeasure(a)},"~A");c(c$,"getModelBS",function(a,b){var d=new JU.BS,c=0,g=null==a;b=(new Boolean(b&null!=this.trajectory)).valueOf();for(var e=g?0:a.nextSetBit(0);0<=e&&ea.modelIndex?null==a.bsSelected?0:Math.max(0,a.bsSelected.nextSetBit(0)):this.am[a.modelIndex].firstAtomIndex,a.lastModelIndex=a.firstModelIndex=0==this.ac?0:this.at[a.firstAtomIndex].mi,a.modelName=this.getModelNumberDotted(a.firstModelIndex),this.fillADa(a,b))},"J.atomdata.AtomData,~N");c(c$,"getModelNumberDotted",function(a){return 1>this.mc||a>=this.mc||0>a?"":JU.Escape.escapeModelFileNumber(this.modelFileNumbers[a])},"~N");c(c$,"getModelNumber", +function(a){return this.modelNumbers[2147483647==a?this.mc-1:a]},"~N");c(c$,"getModelProperty",function(a,b){var d=this.am[a].properties;return null==d?null:d.getProperty(b)},"~N,~S");c(c$,"getModelAuxiliaryInfo",function(a){return 0>a?null:this.am[a].auxiliaryInfo},"~N");c(c$,"setInfo",function(a,b,d){0<=a&&aa?null:this.am[a].auxiliaryInfo.get(b)},"~N,~S");c(c$,"getInfoB",function(a,b){var d=this.am[a].auxiliaryInfo; +return null!=d&&d.containsKey(b)&&d.get(b).booleanValue()},"~N,~S");c(c$,"getInfoI",function(a,b){var d=this.am[a].auxiliaryInfo;return null!=d&&d.containsKey(b)?d.get(b).intValue():-2147483648},"~N,~S");c(c$,"getInsertionCountInModel",function(a){return this.am[a].insertionCount},"~N");c$.modelFileNumberFromFloat=c(c$,"modelFileNumberFromFloat",function(a){var b=w(Math.floor(a));for(a=w(Math.floor(1E4*(a-b+1E-5)));0!=a&&0==a%10;)a/=10;return 1E6*b+a},"~N");c(c$,"getChainCountInModelWater",function(a, +b){if(0>a){for(var d=0,c=this.mc;0<=--c;)d+=this.am[c].getChainCount(b);return d}return this.am[a].getChainCount(b)},"~N,~B");c(c$,"getGroupCountInModel",function(a){if(0>a){a=0;for(var b=this.mc;0<=--b;)a+=this.am[b].getGroupCount();return a}return this.am[a].getGroupCount()},"~N");c(c$,"calcSelectedGroupsCount",function(){for(var a=this.vwr.bsA(),b=this.mc;0<=--b;)this.am[b].calcSelectedGroupsCount(a)});c(c$,"isJmolDataFrameForModel",function(a){return 0<=a&&aa.indexOf("deriv")&&(a=a.substring(0,a.indexOf(" ")),c.dataFrames.put(a,Integer.$valueOf(d)))}, +"~S,~N,~N");c(c$,"getJmolDataFrameIndex",function(a,b){if(null==this.am[a].dataFrames)return-1;var d=this.am[a].dataFrames.get(b);return null==d?-1:d.intValue()},"~N,~S");c(c$,"clearDataFrameReference",function(a){for(var b=0;ba)return"";if(this.am[a].isBioModel)return this.getPDBHeader(a);a=this.getInfo(a,"fileHeader");null==a&&(a=this.modelSetName);return null!= +a?a:"no header information found"},"~N");c(c$,"getAltLocCountInModel",function(a){return this.am[a].altLocCount},"~N");c(c$,"getAltLocIndexInModel",function(a,b){if("\x00"==b)return 0;var d=this.getAltLocListInModel(a);return 0==d.length?0:d.indexOf(b)+1},"~N,~S");c(c$,"getInsertionCodeIndexInModel",function(a,b){if("\x00"==b)return 0;var d=this.getInsertionListInModel(a);return 0==d.length?0:d.indexOf(b)+1},"~N,~S");c(c$,"getAltLocListInModel",function(a){a=this.getInfo(a,"altLocs");return null== +a?"":a},"~N");c(c$,"getInsertionListInModel",function(a){a=this.getInfo(a,"insertionCodes");return null==a?"":a},"~N");c(c$,"getModelSymmetryCount",function(a){return 0a||this.isTrajectory(a)||a>=this.mc-1?this.ac:this.am[a+1].firstAtomIndex,g=0>=a?0:this.am[a].firstAtomIndex;--c>=g;)if((0>a||this.at[c].mi==a)&&((1275072532==b||0==b)&&null!=(d=this.getModulation(c))||(4166==b||0==b)&&null!=(d=this.getVibration(c,!1)))&&d.isNonzero())return c;return-1},"~N,~N");c(c$,"getModulationList",function(a,b,d){var c=new JU.Lst;if(null!=this.vibrations)for(var g=a.nextSetBit(0);0<=g;g=a.nextSetBit(g+1))s(this.vibrations[g],J.api.JmolModulationSet)? +c.addLast(this.vibrations[g].getModulation(b,d)):c.addLast(Float.$valueOf("O"==b?NaN:-1));return c},"JU.BS,~S,JU.P3");c(c$,"getElementsPresentBitSet",function(a){if(0<=a)return this.elementsPresent[a];a=new JU.BS;for(var b=0;ba)return null;var b=this.getInfo(a,"dipole");null==b&&(b=this.getInfo(a,"DIPOLE_VEC"));return b},"~N");c(c$,"calculateMolecularDipole",function(a,b){if(null!=b){var d=b.nextSetBit(0);if(0>d)return null;a=this.at[d].mi}if(0>a)return null;var c=d=0,g=0,e=0,j=new JU.V3,k=new JU.V3;null==b&&(b=this.getModelAtomBitSetIncludingDeleted(-1,!1));this.vwr.getOrCalcPartialCharges(this.am[a].bsAtoms,null);for(var h=b.nextSetBit(0);0<=h;h=b.nextSetBit(h+1))if(!(this.at[h].mi!=a||this.at[h].isDeleted())){var r= +this.partialCharges[h];0>r?(c++,e+=r,k.scaleAdd2(r,this.at[h],k)):0a)return this.moleculeCount;for(var d=0;dd)return null;d=this.getUnitCell(this.at[d].mi); +return null==d?null:d.notInCentroid(this,a,b)},"JU.BS,~A");c(c$,"getMolecules",function(){if(0b?a.setCenter(d,c):(this.initializeBspt(b),a.setModel(this,b,this.am[b].firstAtomIndex,2147483647,d,c,null))},"J.api.AtomIndexIterator,~N,JU.T3,~N");c(c$,"setIteratorForAtom", +function(a,b,d,c,g){0>b&&(b=this.at[d].mi);b=this.am[b].trajectoryBaseIndex;this.initializeBspt(b);a.setModel(this,b,this.am[b].firstAtomIndex,d,this.at[d],c,g)},"J.api.AtomIndexIterator,~N,~N,~N,J.atomdata.RadiusData");c(c$,"getSelectedAtomIterator",function(a,b,d,c,g){this.initializeBspf();if(g){g=this.getModelBS(a,!1);for(var e=g.nextSetBit(0);0<=e;e=g.nextSetBit(e+1))this.initializeBspt(e);g=new JM.AtomIteratorWithinModelSet(g)}else g=new JM.AtomIteratorWithinModel;g.initialize(this.bspf,a,b, +d,c,this.vwr.isParallel());return g},"JU.BS,~B,~B,~B,~B");h(c$,"getBondCountInModel",function(a){return 0>a?this.bondCount:this.am[a].getBondCount()},"~N");c(c$,"getAtomCountInModel",function(a){return 0>a?this.ac:this.am[a].act},"~N");c(c$,"getModelAtomBitSetIncludingDeletedBs",function(a){var b=new JU.BS;null==a&&null==this.bsAll&&(this.bsAll=JU.BSUtil.setAll(this.ac));if(null==a)b.or(this.bsAll);else for(var d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))b.or(this.getModelAtomBitSetIncludingDeleted(d, +!1));return b},"JU.BS");c(c$,"getModelAtomBitSetIncludingDeleted",function(a,b){var d=0>a?this.bsAll:this.am[a].bsAtoms;null==d&&(d=this.bsAll=JU.BSUtil.setAll(this.ac));return b?JU.BSUtil.copy(d):d},"~N,~B");c(c$,"getAtomBitsMaybeDeleted",function(a,b){var d;switch(a){default:return this.getAtomBitsMDa(a,b,new JU.BS);case 1073741925:case 1073742189:case 1111490587:case 1073742128:case 1073741863:case 1086324744:return d=new JU.BS,this.haveBioModels?this.bioModelset.getAtomBitsStr(a,b,d):d;case 1677721602:case 1073742331:return this.getAtomBitsMDb(a, +b);case 1678381065:var c=this.getBoxInfo(b,1);d=this.getAtomsWithin(c.getBoundBoxCornerVector().length()+1E-4,c.getBoundBoxCenter(),null,-1);for(var g=d.nextSetBit(0);0<=g;g=d.nextSetBit(g+1))c.isWithin(this.at[g])||d.clear(g);return d;case 1094713349:d=new JU.BS;for(g=this.ac;0<=--g;)null!=this.at[g]&&this.isInLatticeCell(g,b,this.ptTemp2,!1)&&d.set(g);return d;case 1094713350:d=JU.BSUtil.newBitSet2(0,this.ac);c=A(-1,[C(b.x)-1,C(b.y)-1,C(b.z)-1,C(b.x),C(b.y),C(b.z),0]);for(g=this.mc;0<=--g;){var e= +this.getUnitCell(g);null==e?JU.BSUtil.andNot(d,this.am[g].bsAtoms):d.andNot(e.notInCentroid(this,this.am[g].bsAtoms,c))}return d;case 1094713360:return this.getMoleculeBitSet(b);case 1073742363:return this.getSelectCodeRange(b);case 2097196:d=JU.BS.newN(this.ac);c=-1;e=0;for(g=this.ac;0<=--g;){var j=this.at[g];if(null!=j){var k=j.atomSymmetry;if(null!=k){if(j.mi!=c){c=j.mi;if(null==this.getModelCellRange(c))continue;e=this.getModelSymmetryCount(c)}for(var j=0,h=e;0<=--h;)if(k.get(h)&&1<++j){d.set(g); +break}}}}return d;case 1088421903:return JU.BSUtil.copy(null==this.bsSymmetry?this.bsSymmetry=JU.BS.newN(this.ac):this.bsSymmetry);case 1814695966:d=new JU.BS;if(null==this.vwr.getCurrentUnitCell())return d;this.ptTemp1.set(1,1,1);for(g=this.ac;0<=--g;)null!=this.at[g]&&this.isInLatticeCell(g,this.ptTemp1,this.ptTemp2,!1)&&d.set(g);return d}},"~N,~O");c(c$,"getSelectCodeRange",function(a){var b=new JU.BS,d=a[0],c=a[1];a=a[2];var g=this.vwr.getBoolean(603979822);0<=a&&(300>a&&!g)&&(a=this.chainToUpper(a)); +for(var e=this.mc;0<=--e;)if(this.am[e].isBioModel)for(var j=this.am[e],k,h=j.chainCount;0<=--h;){var r=j.chains[h];if(-1==a||a==(k=r.chainID)||!g&&0k&&a==this.chainToUpper(k))for(var n=r.groups,r=r.groupCount,q=0;0<=q;)q=JM.ModelSet.selectSeqcodeRange(n,r,q,d,c,b)}return b},"~A");c$.selectSeqcodeRange=c(c$,"selectSeqcodeRange",function(a,b,d,c,g,e){var j,h,l,r=!1;for(h=d;hc&&j-ca?this.getAtomsWithin(a,this.at[l].getFractionalUnitCoordPt(d,!0,h),g,-1):(this.setIteratorForAtom(j,r,l,a,c),j.addAtoms(g)))}else{g.or(b);for(l=b.nextSetBit(0);0<=l;l=b.nextSetBit(l+1))0>a?this.getAtomsWithin(a, +this.at[l],g,this.at[l].mi):(this.setIteratorForAtom(j,-1,l,a,c),j.addAtoms(g))}j.release();return g},"~N,JU.BS,~B,J.atomdata.RadiusData");c(c$,"getAtomsWithin",function(a,b,d,c){null==d&&(d=new JU.BS);if(0>a){a=-a;for(var g=this.ac;0<=--g;){var e=this.at[g];null==e||0<=c&&e.mi!=c||!d.get(g)&&e.getFractionalUnitDistance(b,this.ptTemp1,this.ptTemp2)<=a&&d.set(e.i)}return d}c=this.getIterativeModels(!0);g=this.getSelectedAtomIterator(null,!1,!1,!1,!1);for(e=this.mc;0<=--e;)c.get(e)&&!this.am[e].bsAtoms.isEmpty()&& +(this.setIteratorForAtom(g,-1,this.am[e].firstAtomIndex,-1,null),g.setCenter(b,a),g.addAtoms(d));g.release();return d},"~N,JU.T3,JU.BS,~N");c(c$,"deleteBonds",function(a,b){if(!b)for(var d=new JU.BS,c=new JU.BS,g=a.nextSetBit(0);0<=g;g=a.nextSetBit(g+1)){var e=this.bo[g].atom1;this.am[e.mi].isModelKit||(d.clearAll(),c.clearAll(),d.set(e.i),c.set(this.bo[g].getAtomIndex2()),this.addStateScript("connect ",null,d,c,"delete",!1,!0))}this.dBb(a,b)},"JU.BS,~B");c(c$,"makeConnections2",function(a,b,d,c, +g,e,j,h,l,r){null==j&&(j=new JU.BS);var n=65535==d,q=131071==d,m=65537==d;q&&(d=1);var y=JU.Edge.isOrderH(d),p=!1,s=!1,t=!1,u=!1;switch(c){case 12291:return this.deleteConnections(a,b,d,g,e,h,q);case 603979872:case 1073741852:if(515!=d){if(h){a=g;g=new JU.BS;e=new JU.BS;for(var v=a.nextSetBit(0);0<=v;v=a.nextSetBit(v+1))g.set(this.bo[v].atom1.i),e.set(this.bo[v].atom2.i)}return A(-1,[y?this.autoHbond(g,e,!1):this.autoBondBs4(g,e,null,j,this.vwr.getMadBond(),603979872==c),0])}s=u=!0;break;case 1086324745:p= +s=!0;break;case 1073742025:s=!0;break;case 1073741904:t=!0}c=!p||n;n=!p&&!n;this.defaultCovalentMad=this.vwr.getMadBond();var q=0>a,w=0>b,x=q||w,z=!h||0.1!=a||1E8!=b;z&&(a=this.fixD(a,q),b=this.fixD(b,w));var C=this.getDefaultMadFromOrder(d),E=0,G=0,H=null,L=null,K=null,M="\x00",N=d|131072,O=0!=(d&512);try{for(v=g.nextSetBit(0);0<=v;v=g.nextSetBit(v+1)){if(h)H=this.bo[v],L=H.atom1,K=H.atom2;else{L=this.at[v];if(L.isDeleted())continue;M=this.isModulated(v)?"\x00":L.altloc}for(var P=h?0:e.nextSetBit(0);0<= +P;P=e.nextSetBit(P+1)){if(h)P=2147483646;else{if(P==v)continue;K=this.at[P];if(null==K||L.mi!=K.mi||K.isDeleted())continue;if("\x00"!=M&&M!=K.altloc&&"\x00"!=K.altloc)continue;H=L.getBond(K)}if(!(null==H?s:t)&&!(z&&!this.isInRange(L,K,a,b,q,w,x)||O&&!this.allowAromaticBond(H)))if(null==H)j.set(this.bondAtoms(L,K,d,C,j,r,l,!0).index),E++;else if(n&&(H.setOrder(d),m&&(this.haveAtropicBonds=!0,H.setAtropisomerOptions(g,e)),this.bsAromatic.clear(H.index)),c||d==H.order||N==H.order||y&&H.isHydrogen())j.set(H.index), +G++}}}catch(Q){if(!D(Q,Exception))throw Q;}u&&this.assignAromaticBondsBs(!0,j);p||this.sm.setShapeSizeBs(1,-2147483648,null,j);return A(-1,[E,G])},"~N,~N,~N,~N,JU.BS,JU.BS,JU.BS,~B,~B,~N");c(c$,"autoBondBs4",function(a,b,d,c,g,e){if(e)return this.autoBond_Pre_11_9_24(a,b,d,c,g);if(0==this.ac)return 0;0==g&&(g=1);1.4E-45==this.maxBondingRadius&&this.findMaxRadii();e=this.vwr.getFloat(570425348);var j=this.vwr.getFloat(570425364),j=j*j,h=0;this.showRebondTimes&&JU.Logger.startTimer("autobond");var l= +-1,r=null==a,n,q;r?(q=0,n=null):(a.equals(b)?n=a:(n=JU.BSUtil.copy(a),n.or(b)),q=n.nextSetBit(0));for(var m=this.getSelectedAtomIterator(null,!1,!1,!0,!1),y=!1;0<=q&&qthis.occupancies[q]!=50>this.occupancies[A]||w&&Math.signum(z.getFormalCharge())==v)||(A=this.isBondable(u,z.getBondingRadius(),m.foundDistance2(),j,e)?1:0,0e&&0>j||0l||u&&e.get(w.i)||t.isBonded(w))){if(0\n');if(null!=this.modelSetProperties){for(var b=this.modelSetProperties.propertyNames();b.hasMoreElements();){var d= +b.nextElement();a.append('\n '); +a.append("\n");return a.toString()});c(c$,"getSymmetryInfoAsString",function(){for(var a=(new JU.SB).append("Symmetry Information:"),b=0;b=this.at.length&&this.growAtomArrays(this.ac+100);this.at[this.ac]=h;this.setBFactor(this.ac,p,!1);this.setOccupancy(this.ac,y,!1);this.setPartialCharge(this.ac,m,!1);null!=s&&this.setAtomTensors(this.ac,s);h.group=b;h.colixAtom=this.vwr.cm.getColixAtomPalette(h,J.c.PAL.CPK.id);null!=c&&(null!=g&&(null==this.atomTypes&&(this.atomTypes=Array(this.at.length)),this.atomTypes[this.ac]= +g),h.atomID=u,0==u&&(null==this.atomNames&&(this.atomNames=Array(this.at.length)),this.atomNames[this.ac]=c.intern()));-2147483648!=e&&(null==this.atomSerials&&(this.atomSerials=A(this.at.length,0)),this.atomSerials[this.ac]=e);0!=j&&(null==this.atomSeqIDs&&(this.atomSeqIDs=A(this.at.length,0)),this.atomSeqIDs[this.ac]=j);null!=n&&this.setVibrationVector(this.ac,n);Float.isNaN(w)||this.setBondingRadius(this.ac,w);this.ac++;return h},"~N,JM.Group,~N,~S,~S,~N,~N,~N,JU.P3,~N,JU.V3,~N,~N,~N,~N,JU.Lst,~B,~N,JU.BS,~N"); +c(c$,"getInlineData",function(a){var b=null;if(0<=a)b=this.am[a].loadScript;else for(a=this.mc;0<=--a&&!(0<(b=this.am[a].loadScript).length()););a=b.lastIndexOf('data "');if(0>a)return b=JU.PT.getQuotedStringAt(b.toString(),0),JS.ScriptCompiler.unescapeString(b,0,b.length);a=b.indexOf2('"',a+7);var d=b.lastIndexOf('end "');return da?null:b.substring2(a+2,d)},"~N");c(c$,"isAtomPDB",function(a){return 0<=a&&this.am[this.at[a].mi].isBioModel},"~N");c(c$,"isAtomInLastModel",function(a){return 0<= +a&&this.at[a].mi==this.mc-1},"~N");c(c$,"haveModelKit",function(){for(var a=0;ab&&(a=this.am[this.at[a].mi].firstAtomIndex);null==this.atomSerials&&(this.atomSerials=A(this.ac,0));null==this.atomNames&&(this.atomNames= +Array(this.ac));for(var c=this.isXYZ&&this.vwr.getBoolean(603979978),g=2147483647,e=1;a=-b){if(0==h||0>b)this.atomSerials[a]=ab)this.atomNames[a]=(j.getElementSymbol()+this.atomSerials[a]).intern()}else h>e&&(e=h);(!this.am[g].isModelKit||0c.length)){var g=C(c[0]),e=0>g;e&&(g=-1-g);var j=C(c[1]);if(!(0>j||g>=this.ac||j>=this.ac)){var h=2h&&(h&=65535);var l=3h;)if(c=this.at[a[h]],g=this.at[a[l]],c.isBonded(g))for(var r=d;0<=--r;)if(r!=h&&r!=l&&(e=this.at[a[r]]).isBonded(c))for(var n= +d;0<=--n;)if(n!=h&&n!=l&&n!=r&&(j=this.at[a[n]]).isBonded(g)){var q=A(4,0);q[0]=e.i;q[1]=c.i;q[2]=g.i;q[3]=j.i;b.addLast(q)}d=b.size();a=JU.AU.newInt2(d);for(h=d;0<=--h;)a[d-h-1]=b.get(h);return a},"~A");c(c$,"setModulation",function(a,b,d,c){if(null==this.bsModulated)if(b)this.bsModulated=new JU.BS;else if(null==a)return;null==a&&(a=this.getModelAtomBitSetIncludingDeleted(-1,!1));for(var g=this.vwr.getFloat(1275072532),e=!1,j=a.nextSetBit(0);0<=j;j=a.nextSetBit(j+1)){var h=this.getModulation(j); +null!=h&&(h.setModTQ(this.at[j],b,d,c,g),null!=this.bsModulated&&this.bsModulated.setBitTo(j,b),e=!0)}e||(this.bsModulated=null)},"JU.BS,~B,JU.P3,~B");c(c$,"getBoundBoxOrientation",function(a,b){var d=0,c=0,g=0,e=null,j=null,h=b.nextSetBit(0),l=0;if(0<=h){c=null==this.vOrientations?0:this.vOrientations.length;if(0==c){e=Array(3375);c=0;l=new JU.P4;for(d=-7;7>=d;d++)for(g=-7;7>=g;g++)for(var r=0;14>=r;r++,c++)1<(e[c]=JU.V3.new3(d/7,g/7,r/14)).length()&&--c;this.vOrientations=Array(c);for(d=c;0<=--d;)r= +Math.sqrt(1-e[d].lengthSquared()),Float.isNaN(r)&&(r=0),l.set4(e[d].x,e[d].y,e[d].z,r),this.vOrientations[d]=JU.Quat.newP4(l)}var r=new JU.P3,l=3.4028235E38,n=null,q=new JU.BoxInfo;q.setMargin(1312817669==a?0:0.1);for(d=0;dd;d++)j.transform2(h[d],h[d]),0d&&(r.set(0,1,0),e=JU.Quat.newVA(r,90).mulQ(e),j=d,d=g,g=j),r.set(1,0,0),e=JU.Quat.newVA(r,90).mulQ(e),j=c,c=g,g=j)}}return 1312817669==a?l+"\t{"+d+" "+c+" "+g+"}\t"+b:1814695966==a?null:null==e||0==e.getTheta()?new JU.Quat:e},"~N,JU.BS");c(c$,"getUnitCellForAtom",function(a){if(0>a||a>this.ac)return null;if(null!=this.bsModulated){var b=this.getModulation(a),b=null==b?null:b.getSubSystemUnitCell();if(null!=b)return b}return this.getUnitCell(this.at[a].mi)}, +"~N");c(c$,"clearCache",function(){for(var a=this.mc;0<=--a;)this.am[a].resetDSSR(!1)});c(c$,"getSymMatrices",function(a){var b=this.getModelSymmetryCount(a);if(0==b)return null;var d=Array(b),c=this.am[a].biosymmetry;null==c&&(c=this.getUnitCell(a));for(a=b;0<=--a;)d[a]=c.getSpaceGroupOperation(a);return d},"~N");c(c$,"getBsBranches",function(a){for(var b=w(a.length/6),d=Array(b),c=new java.util.Hashtable,g=0,e=0;gMath.abs(a[e+5]-a[e+4]))){var j=C(a[e+1]),h=C(a[e+2]),l=""+j+"_"+ +h;if(!c.containsKey(l)){c.put(l,Boolean.TRUE);for(var l=this.vwr.getBranchBitSet(h,j,!0),r=this.at[j].bonds,j=this.at[j],n=0;nh.nextSetBit(0)))if(b>=j.altLocCount)0==b&&g.or(h);else if(!this.am[e].isBioModel||!this.am[e].getConformation(b,d,h,g)){for(var l=this.getAltLocCountInModel(e),j=this.getAltLocListInModel(e),r=new JU.BS;0<=--l;)l!=b&&h.andNot(this.getAtomBitsMDa(1073742355,j.substring(l,l+1),r));0<=h.nextSetBit(0)&&g.or(h)}}return g},"~N,~N,~B,JU.BS");c(c$,"getSequenceBits",function(a,b,d){return this.haveBioModels? +this.bioModelset.getAllSequenceBits(a,b,d):d},"~S,JU.BS,JU.BS");c(c$,"getBioPolymerCountInModel",function(a){return this.haveBioModels?this.bioModelset.getBioPolymerCountInModel(a):0},"~N");c(c$,"getPolymerPointsAndVectors",function(a,b,d,c){this.haveBioModels&&this.bioModelset.getAllPolymerPointsAndVectors(a,b,d,c)},"JU.BS,JU.Lst,~B,~N");c(c$,"recalculateLeadMidpointsAndWingVectors",function(a){this.haveBioModels&&this.bioModelset.recalculatePoints(a)},"~N");c(c$,"calcRasmolHydrogenBonds",function(a, +b,d,c,g,e,j){this.haveBioModels&&this.bioModelset.calcAllRasmolHydrogenBonds(a,b,d,c,g,e,j,2)},"JU.BS,JU.BS,JU.Lst,~B,~N,~B,JU.BS");c(c$,"calculateStraightnessAll",function(){this.haveBioModels&&!this.haveStraightness&&this.bioModelset.calculateStraightnessAll()});c(c$,"calculateStruts",function(a,b){return this.haveBioModels?this.bioModelset.calculateStruts(a,b):0},"JU.BS,JU.BS");c(c$,"getGroupsWithin",function(a,b){return this.haveBioModels?this.bioModelset.getGroupsWithinAll(a,b):new JU.BS},"~N,JU.BS"); +c(c$,"getProteinStructureState",function(a,b){return this.haveBioModels?this.bioModelset.getFullProteinStructureState(a,b):""},"JU.BS,~N");c(c$,"calculateStructures",function(a,b,d,c,g,e){return this.haveBioModels?this.bioModelset.calculateAllStuctures(a,b,d,c,g,e):""},"JU.BS,~B,~B,~B,~B,~N");c(c$,"calculateStructuresAllExcept",function(a,b,d,c,g,e,j){this.freezeModels();return this.haveBioModels?this.bioModelset.calculateAllStructuresExcept(a,b,d,c,g,e,j):""},"JU.BS,~B,~B,~B,~B,~B,~N");c(c$,"recalculatePolymers", +function(a){this.bioModelset.recalculateAllPolymers(a,this.getGroups())},"JU.BS");c(c$,"calculatePolymers",function(a,b,d,c){null!=this.bioModelset&&this.bioModelset.calculateAllPolymers(a,b,d,c)},"~A,~N,~N,JU.BS");c(c$,"calcSelectedMonomersCount",function(){this.haveBioModels&&this.bioModelset.calcSelectedMonomersCount()});c(c$,"setProteinType",function(a,b){this.haveBioModels&&this.bioModelset.setAllProteinType(a,b)},"JU.BS,J.c.STR");c(c$,"setStructureList",function(a){this.haveBioModels&&this.bioModelset.setAllStructureList(a)}, +"java.util.Map");c(c$,"setConformation",function(a){this.haveBioModels&&this.bioModelset.setAllConformation(a);return a},"JU.BS");c(c$,"getHeteroList",function(a){a=this.haveBioModels?this.bioModelset.getAllHeteroList(a):null;return null==a?this.getInfoM("hetNames"):a},"~N");c(c$,"getUnitCellPointsWithin",function(a,b,d,c){var g=new JU.Lst,e=null,j=null;c&&(e=new java.util.Hashtable,j=new JU.Lst,e.put("atoms",j),e.put("points",g));var h=null==b?-1:b.nextSetBit(0);b=this.vwr.getModelUndeletedAtomsBitSet(0> +h?this.vwr.am.cmi:this.at[h].mi);0>h&&(h=b.nextSetBit(0));if(0<=h){var l=this.getUnitCellForAtom(h);if(null!=l){b=l.getIterator(this.vwr,this.at[h],this.at,b,a);for(null!=d&&b.setCenter(d,a);b.hasNext();)h=b.next(),d=b.getPosition(),g.addLast(d),c&&j.addLast(Integer.$valueOf(h))}}return c?e:g},"~N,JU.BS,JU.P3,~B");c(c$,"calculateDssrProperty",function(a){if(null!=a){if(null==this.dssrData||this.dssrData.lengththis.modelIndex)return!0;JU.BSUtil.deleteBits(this.bsBonds,b);JU.BSUtil.deleteBits(this.bsAtoms1,d);JU.BSUtil.deleteBits(this.bsAtoms2,d);return this.isValid()},"~N,JU.BS,JU.BS");c(c$,"setModelIndex",function(a){this.modelIndex=a},"~N")});m("JM");L(JM,"Structure");m("JM");c$=u(function(){this.id="";this.type= +" ";this.scale=this.tickLabelFormats=this.ticks=null;this.first=0;this.signFactor=1;this.reference=null;t(this,arguments)},JM,"TickInfo");p(c$,function(a){this.ticks=a},"JU.P3");m("JU");x(["JU.P3","$.V3"],"JU.BoxInfo",["JU.Point3fi"],function(){c$=u(function(){this.bbVertices=this.bbVector=this.bbCenter=this.bbCorner1=this.bbCorner0=null;this.isScaleSet=!1;this.margin=0;t(this,arguments)},JU,"BoxInfo");O(c$,function(){this.bbCorner0=new JU.P3;this.bbCorner1=new JU.P3;this.bbCenter=new JU.P3;this.bbVector= +new JU.V3;this.bbVertices=Array(8);for(var a=0;8>a;a++)JU.BoxInfo.unitBboxPoints[a]=JU.P3.new3(-1,-1,-1),JU.BoxInfo.unitBboxPoints[a].scaleAdd2(2,JU.BoxInfo.unitCubePoints[a],JU.BoxInfo.unitBboxPoints[a])});p(c$,function(){for(var a=8;0<=--a;)this.bbVertices[a]=new JU.Point3fi;this.reset()});c(c$,"reset",function(){this.isScaleSet=!1;this.bbCorner0.set(3.4028235E38,3.4028235E38,3.4028235E38);this.bbCorner1.set(-3.4028235E38,-3.4028235E38,-3.4028235E38)});c$.scaleBox=c(c$,"scaleBox",function(a,b){if(!(0== +b||1==b)){for(var d=new JU.P3,c=new JU.V3,g=0;8>g;g++)d.add(a[g]);d.scale(0.125);for(g=0;8>g;g++)c.sub2(a[g],d),c.scale(b),a[g].add2(d,c)}},"~A,~N");c$.getVerticesFromOABC=c(c$,"getVerticesFromOABC",function(a){for(var b=Array(8),d=0;7>=d;d++)b[d]=JU.P3.newP(a[0]),4==(d&4)&&b[d].add(a[1]),2==(d&2)&&b[d].add(a[2]),1==(d&1)&&b[d].add(a[3]);return b},"~A");c$.getCanonicalCopy=c(c$,"getCanonicalCopy",function(a,b){for(var d=Array(8),c=0;8>c;c++)d[JU.BoxInfo.toCanonical[c]]=JU.P3.newP(a[c]);JU.BoxInfo.scaleBox(d, +b);return d},"~A,~N");c$.toOABC=c(c$,"toOABC",function(a,b){var d=JU.P3.newP(a[0]),c=JU.P3.newP(a[4]),g=JU.P3.newP(a[2]),e=JU.P3.newP(a[1]);c.sub(d);g.sub(d);e.sub(d);null!=b&&d.add(b);return v(-1,[d,c,g,e])},"~A,JU.T3");c(c$,"getBoundBoxCenter",function(){this.isScaleSet||this.setBbcage(1);return this.bbCenter});c(c$,"getBoundBoxCornerVector",function(){this.isScaleSet||this.setBbcage(1);return this.bbVector});c(c$,"getBoundBoxPoints",function(a){this.isScaleSet||this.setBbcage(1);return a?v(-1, +[this.bbCenter,JU.P3.newP(this.bbVector),this.bbCorner0,this.bbCorner1]):v(-1,[this.bbCorner0,this.bbCorner1])},"~B");c(c$,"getBoundBoxVertices",function(){this.isScaleSet||this.setBbcage(1);return this.bbVertices});c(c$,"setBoundBoxFromOABC",function(a){for(var b=JU.P3.newP(a[0]),d=new JU.P3,c=0;4>c;c++)d.add(a[c]);this.setBoundBox(b,d,!0,1)},"~A");c(c$,"setBoundBox",function(a,b,d,c){if(null!=a){if(0==c)return;if(d){if(0==a.distance(b))return;this.bbCorner0.set(Math.min(a.x,b.x),Math.min(a.y,b.y), 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a=Math.sqrt(this.sinAlpha*this.sinAlpha+this.sinBeta*this.sinBeta+this.sinGamma*this.sinGamma+2*this.cosAlpha*this.cosBeta*this.cosGamma-2);this.volume=this.a*this.b*this.c*a;this.cA_=(this.cosAlpha-this.cosBeta*this.cosGamma)/this.sinGamma;this.cB_=a/this.sinGamma;this.a_=this.b*this.c*this.sinAlpha/this.volume;this.b_=this.a*this.c*this.sinBeta/ -this.volume;this.c_=this.a*this.b*this.sinGamma/this.volume});c(c$,"getFractionalOrigin",function(){return this.fractionalOrigin});c(c$,"toSupercell",function(a){a.x/=this.na;a.y/=this.nb;a.z/=this.nc;return a},"JU.P3");c(c$,"toCartesian",function(a,b){null!=this.matrixFractionalToCartesian&&(b?this.matrixFtoCNoOffset:this.matrixFractionalToCartesian).rotTrans(a)},"JU.T3,~B");c(c$,"toFractionalM",function(a){null!=this.matrixCartesianToFractional&&(a.mul(this.matrixFractionalToCartesian),a.mul2(this.matrixCartesianToFractional, -a))},"JU.M4");c(c$,"toFractional",function(a,b){null!=this.matrixCartesianToFractional&&(b?this.matrixCtoFNoOffset:this.matrixCartesianToFractional).rotTrans(a)},"JU.T3,~B");c(c$,"isPolymer",function(){return 1==this.dimension});c(c$,"isSlab",function(){return 2==this.dimension});c(c$,"getUnitCellParams",function(){return this.unitCellParams});c(c$,"getUnitCellAsArray",function(a){var b=this.matrixFractionalToCartesian;return a?K(-1,[b.m00,b.m10,b.m20,b.m01,b.m11,b.m21,b.m02,b.m12,b.m22]):K(-1,[this.a, -this.b,this.c,this.alpha,this.beta,this.gamma,b.m00,b.m10,b.m20,b.m01,b.m11,b.m21,b.m02,b.m12,b.m22,this.dimension,this.volume])},"~B");c(c$,"getInfo",function(a){switch(a){case 0:return this.a;case 1:return this.b;case 2:return this.c;case 3:return this.alpha;case 4:return this.beta;case 5:return this.gamma;case 6:return this.dimension}return NaN},"~N");c$.ijkToPoint3f=c(c$,"ijkToPoint3f",function(a,b,d,c){var g=1E9=a.x||0.98<=a.x)b/=2;if(0.02>=a.y||0.98<=a.y)b/=2;if(0.02>=a.z||0.98<=a.z)b/=2;return b},"JU.P3");c$.getReciprocal=c(c$,"getReciprocal",function(a, -b,d){var c=Array(4),g=4==a.length?1:0;c[0]=1==g?JU.P3.newP(a[0]):new JU.P3;for(var f=0;3>f;f++)c[f+1]=new JU.P3,c[f+1].cross(a[(f+g)%3+g],a[(f+g+1)%3+g]),c[f+1].scale(d/a[f+g].dot(c[f+1]));if(null==b)return c;for(f=0;4>f;f++)b[f]=c[f];return b},"~A,~A,~N");c$.setOabc=c(c$,"setOabc",function(a,b,d){if(null!=a&&(null==b&&(b=K(6,0)),0<=a.indexOf("=")))if(a=JU.PT.split(a.$replace(","," "),"="),7==a.length)for(var c=0;6>c;c++){if(Float.isNaN(b[c]=JU.PT.parseFloat(a[c+1])))return null}else return null; -if(null==d)return null;b=JU.SimpleUnitCell.newA(b).getUnitCellAsArray(!0);d[1].set(b[0],b[1],b[2]);d[2].set(b[3],b[4],b[5]);d[3].set(b[6],b[7],b[8]);return d},"~S,~A,~A");c$.setMinMaxLatticeParameters=c(c$,"setMinMaxLatticeParameters",function(a,b,d,c){if(d.x<=d.y&&555<=d.y){var g=new JU.P3;JU.SimpleUnitCell.ijkToPoint3f(d.x,g,0,c);b.x=C(g.x);b.y=C(g.y);b.z=C(g.z);JU.SimpleUnitCell.ijkToPoint3f(d.y,g,1,c);d.x=C(g.x);d.y=C(g.y);d.z=C(g.z)}switch(a){case 1:b.y=0,d.y=1;case 2:b.z=0,d.z=1}},"~N,JU.P3i,JU.P3i,~N"); -F(c$,"toRadians",0.017453292,"INFO_DIMENSIONS",6,"INFO_GAMMA",5,"INFO_BETA",4,"INFO_ALPHA",3,"INFO_C",2,"INFO_B",1,"INFO_A",0,"SLOP",0.02,"SLOP1",0.98)});r("JU");x(null,"JU.TempArray",["java.lang.Boolean","$.Float","JU.P3","$.P3i"],function(){c$=v(function(){this.freeEnum=this.lengthsFreeEnum=this.freeScreens=this.lengthsFreeScreens=this.freePoints=this.lengthsFreePoints=null;s(this,arguments)},JU,"TempArray");O(c$,function(){this.lengthsFreePoints=B(6,0);this.freePoints=Array(6);this.lengthsFreeScreens= -B(6,0);this.freeScreens=Array(6);this.lengthsFreeEnum=B(2,0);this.freeEnum=Array(2)});t(c$,function(){});c(c$,"clear",function(){this.clearTempPoints();this.clearTempScreens()});c$.findBestFit=c(c$,"findBestFit",function(a,b){for(var d=-1,c=2147483647,g=b.length;0<=--g;){var f=b[g];f>=a&&fa;a++)this.lengthsFreePoints[a]=0,this.freePoints[a]=null});c(c$,"allocTempPoints",function(a){var b;b=JU.TempArray.findBestFit(a,this.lengthsFreePoints);if(0a;a++)this.lengthsFreeScreens[a]=0,this.freeScreens[a]=null});c(c$,"allocTempScreens",function(a){var b;b=JU.TempArray.findBestFit(a,this.lengthsFreeScreens);if(0b.indexOf("@{")&&0>b.indexOf("%{"))return b;var c=b,g=0<=c.indexOf("\\");g&&(c=JU.PT.rep(c, -"\\%","\u0001"),c=JU.PT.rep(c,"\\@","\u0002"),g=!c.equals(b));for(var c=JU.PT.rep(c,"%{","@{"),f;0<=(d=c.indexOf("@{"));){d++;var j=d+1;f=c.length;for(var h=1,l="\x00",n="\x00";0=f)return c;f=c.substring(j,d);if(0==f.length)return c;f=a.evaluateExpression(f);q(f,JU.P3)&&(f=JU.Escape.eP(f));c=c.substring(0,j-2)+f.toString()+c.substring(d+ -1)}g&&(c=JU.PT.rep(c,"\u0002","@"),c=JU.PT.rep(c,"\u0001","%"));return c},"J.api.JmolViewer,~S")});r("JU");x(["JU.V3"],"JU.Vibration",["JU.P3"],function(){c$=v(function(){this.modDim=-1;this.modScale=NaN;this.showTrace=!1;this.trace=null;this.tracePt=0;s(this,arguments)},JU,"Vibration",JU.V3);c(c$,"setCalcPoint",function(a,b,d){switch(this.modDim){case -2:break;default:a.scaleAdd2(Math.cos(6.283185307179586*b.x)*d,this,a)}return a},"JU.T3,JU.T3,~N,~N");c(c$,"getInfo",function(a){a.put("vibVector", -JU.V3.newV(this));a.put("vibType",-2==this.modDim?"spin":-1==this.modDim?"vib":"mod")},"java.util.Map");h(c$,"clone",function(){var a=new JU.Vibration;a.setT(this);a.modDim=this.modDim;return a});c(c$,"setXYZ",function(a){this.setT(a)},"JU.T3");c(c$,"setType",function(a){this.modDim=a;return this},"~N");c(c$,"isNonzero",function(){return 0!=this.x||0!=this.y||0!=this.z});c(c$,"getOccupancy100",function(){return-2147483648},"~B");c(c$,"startTrace",function(a){this.trace=Array(a);this.tracePt=a},"~N"); -c(c$,"addTracePt",function(a,b){(null==this.trace||0==a||a!=this.trace.length)&&this.startTrace(a);if(null!=b&&2=--this.tracePt){for(var d=this.trace[this.trace.length-1],c=this.trace.length;1<=--c;)this.trace[c]=this.trace[c-1];this.trace[1]=d;this.tracePt=1}d=this.trace[this.tracePt];null==d&&(d=this.trace[this.tracePt]=new JU.P3);d.setT(b)}return this.trace},"~N,JU.Point3fi");F(c$,"twoPI",6.283185307179586,"TYPE_VIBRATION",-1,"TYPE_SPIN",-2)});r("JV");x(["J.api.EventManager","JU.Rectangle", -"JV.MouseState"],["JV.MotionPoint","$.ActionManager","$.Gesture"],"java.lang.Float JU.AU $.PT J.api.Interface J.i18n.GT JS.SV $.ScriptEval J.thread.HoverWatcherThread JU.BSUtil $.Escape $.Logger $.Point3fi JV.Viewer JV.binding.Binding $.JmolBinding".split(" "),function(){c$=v(function(){this.vwr=null;this.isMultiTouch=this.haveMultiTouchInput=!1;this.predragBinding=this.rasmolBinding=this.dragBinding=this.pfaatBinding=this.jmolBinding=this.b=null;this.LEFT_DRAGGED=this.LEFT_CLICKED=0;this.dragGesture= -this.hoverWatcherThread=null;this.apm=1;this.pickingStyleSelect=this.pickingStyle=this.bondPickingMode=0;this.pickingStyleMeasure=5;this.rootPickingStyle=0;this.mouseDragFactor=this.gestureSwipeFactor=1;this.mouseWheelFactor=1.15;this.dragged=this.pressed=this.clicked=this.moved=this.current=null;this.clickedCount=this.pressedCount=0;this.dragSelectedMode=this.labelMode=this.drawMode=!1;this.measuresEnabled=!0;this.hoverActive=this.haveSelection=!1;this.mp=null;this.dragAtomIndex=-1;this.rubberbandSelectionMode= -this.mkBondPressed=!1;this.rectRubber=null;this.isAltKeyReleased=!0;this.isMultiTouchServer=this.isMultiTouchClient=this.keyProcessing=!1;this.clickAction=this.dragAction=this.pressAction=0;this.measurementQueued=null;this.selectionWorking=this.zoomTrigger=!1;s(this,arguments)},JV,"ActionManager",null,J.api.EventManager);O(c$,function(){this.current=new JV.MouseState("current");this.moved=new JV.MouseState("moved");this.clicked=new JV.MouseState("clicked");this.pressed=new JV.MouseState("pressed"); -this.dragged=new JV.MouseState("dragged");this.rectRubber=new JU.Rectangle});c(c$,"setViewer",function(a){this.vwr=a;JV.Viewer.isJS||this.createActions();this.setBinding(this.jmolBinding=new JV.binding.JmolBinding);this.LEFT_CLICKED=JV.binding.Binding.getMouseAction(1,16,2);this.LEFT_DRAGGED=JV.binding.Binding.getMouseAction(1,16,1);this.dragGesture=new JV.Gesture(20,a)},"JV.Viewer,~S");c(c$,"checkHover",function(){if(this.zoomTrigger)this.zoomTrigger=!1,8==this.vwr.currentCursor&&this.vwr.setCursor(0), -this.vwr.setInMotion(!1);else if(!this.vwr.getInMotion(!0)&&!this.vwr.tm.spinOn&&!this.vwr.tm.navOn&&!this.vwr.checkObjectHovered(this.current.x,this.current.y)){var a=this.vwr.findNearestAtomIndex(this.current.x,this.current.y);if(!(0>a)){var b=2==this.apm&&this.bnd(JV.binding.Binding.getMouseAction(this.clickedCount,this.moved.modifiers,1),[10]);this.vwr.hoverOn(a,b)}}});c(c$,"processMultitouchEvent",function(){},"~N,~N,~N,~N,JU.P3,~N");c(c$,"bind",function(a,b){var d=JV.ActionManager.getActionFromName(b), -c=JV.binding.Binding.getMouseActionStr(a);0!=c&&(0<=d?this.b.bindAction(c,d):this.b.bindName(c,b))},"~S,~S");c(c$,"clearBindings",function(){this.setBinding(this.jmolBinding=new JV.binding.JmolBinding);this.rasmolBinding=this.dragBinding=this.pfaatBinding=null});c(c$,"unbindAction",function(a,b){if(null==a&&null==b)this.clearBindings();else{var d=JV.ActionManager.getActionFromName(b),c=JV.binding.Binding.getMouseActionStr(a);0<=d?this.b.unbindAction(c,d):0!=c&&this.b.unbindName(c,b);null==b&&this.b.unbindUserAction(a)}}, -"~S,~S");c$.newAction=c(c$,"newAction",function(a,b,d){JV.ActionManager.actionInfo[a]=d;JV.ActionManager.actionNames[a]=b},"~N,~S,~S");c(c$,"createActions",function(){null==JV.ActionManager.actionInfo[0]&&(JV.ActionManager.newAction(0,"_assignNew",J.i18n.GT.o(J.i18n.GT.$("assign/new atom or bond (requires {0})"),"set picking assignAtom_??/assignBond_?")),JV.ActionManager.newAction(1,"_center",J.i18n.GT.$("center")),JV.ActionManager.newAction(2,"_clickFrank",J.i18n.GT.$("pop up recent context menu (click on Jmol frank)")), -JV.ActionManager.newAction(4,"_deleteAtom",J.i18n.GT.o(J.i18n.GT.$("delete atom (requires {0})"),"set picking DELETE ATOM")),JV.ActionManager.newAction(5,"_deleteBond",J.i18n.GT.o(J.i18n.GT.$("delete bond (requires {0})"),"set picking DELETE BOND")),JV.ActionManager.newAction(6,"_depth",J.i18n.GT.o(J.i18n.GT.$("adjust depth (back plane; requires {0})"),"SLAB ON")),JV.ActionManager.newAction(7,"_dragAtom",J.i18n.GT.o(J.i18n.GT.$("move atom (requires {0})"),"set picking DRAGATOM")),JV.ActionManager.newAction(8, -"_dragDrawObject",J.i18n.GT.o(J.i18n.GT.$("move whole DRAW object (requires {0})"),"set picking DRAW")),JV.ActionManager.newAction(9,"_dragDrawPoint",J.i18n.GT.o(J.i18n.GT.$("move specific DRAW point (requires {0})"),"set picking DRAW")),JV.ActionManager.newAction(10,"_dragLabel",J.i18n.GT.o(J.i18n.GT.$("move label (requires {0})"),"set picking LABEL")),JV.ActionManager.newAction(11,"_dragMinimize",J.i18n.GT.o(J.i18n.GT.$("move atom and minimize molecule (requires {0})"),"set picking DRAGMINIMIZE")), -JV.ActionManager.newAction(12,"_dragMinimizeMolecule",J.i18n.GT.o(J.i18n.GT.$("move and minimize molecule (requires {0})"),"set picking DRAGMINIMIZEMOLECULE")),JV.ActionManager.newAction(13,"_dragSelected",J.i18n.GT.o(J.i18n.GT.$("move selected atoms (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(14,"_dragZ",J.i18n.GT.o(J.i18n.GT.$("drag atoms in Z direction (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(15,"_multiTouchSimulation",J.i18n.GT.$("simulate multi-touch using the mouse)")), -JV.ActionManager.newAction(16,"_navTranslate",J.i18n.GT.o(J.i18n.GT.$("translate navigation point (requires {0} and {1})"),A(-1,["set NAVIGATIONMODE","set picking NAVIGATE"]))),JV.ActionManager.newAction(17,"_pickAtom",J.i18n.GT.$("pick an atom")),JV.ActionManager.newAction(3,"_pickConnect",J.i18n.GT.o(J.i18n.GT.$("connect atoms (requires {0})"),"set picking CONNECT")),JV.ActionManager.newAction(18,"_pickIsosurface",J.i18n.GT.o(J.i18n.GT.$("pick an ISOSURFACE point (requires {0}"),"set DRAWPICKING")), -JV.ActionManager.newAction(19,"_pickLabel",J.i18n.GT.o(J.i18n.GT.$("pick a label to toggle it hidden/displayed (requires {0})"),"set picking LABEL")),JV.ActionManager.newAction(20,"_pickMeasure",J.i18n.GT.o(J.i18n.GT.$("pick an atom to include it in a measurement (after starting a measurement or after {0})"),"set picking DISTANCE/ANGLE/TORSION")),JV.ActionManager.newAction(21,"_pickNavigate",J.i18n.GT.o(J.i18n.GT.$("pick a point or atom to navigate to (requires {0})"),"set NAVIGATIONMODE")),JV.ActionManager.newAction(22, -"_pickPoint",J.i18n.GT.o(J.i18n.GT.$("pick a DRAW point (for measurements) (requires {0}"),"set DRAWPICKING")),JV.ActionManager.newAction(23,"_popupMenu",J.i18n.GT.$("pop up the full context menu")),JV.ActionManager.newAction(24,"_reset",J.i18n.GT.$("reset (when clicked off the model)")),JV.ActionManager.newAction(25,"_rotate",J.i18n.GT.$("rotate")),JV.ActionManager.newAction(26,"_rotateBranch",J.i18n.GT.o(J.i18n.GT.$("rotate branch around bond (requires {0})"),"set picking ROTATEBOND")),JV.ActionManager.newAction(27, -"_rotateSelected",J.i18n.GT.o(J.i18n.GT.$("rotate selected atoms (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(28,"_rotateZ",J.i18n.GT.$("rotate Z")),JV.ActionManager.newAction(29,"_rotateZorZoom",J.i18n.GT.$("rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)")),JV.ActionManager.newAction(30,"_select",J.i18n.GT.o(J.i18n.GT.$("select an atom (requires {0})"),"set pickingStyle EXTENDEDSELECT")),JV.ActionManager.newAction(31,"_selectAndDrag",J.i18n.GT.o(J.i18n.GT.$("select and drag atoms (requires {0})"), -"set DRAGSELECTED")),JV.ActionManager.newAction(32,"_selectAndNot",J.i18n.GT.o(J.i18n.GT.$("unselect this group of atoms (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT")),JV.ActionManager.newAction(33,"_selectNone",J.i18n.GT.o(J.i18n.GT.$("select NONE (requires {0})"),"set pickingStyle EXTENDEDSELECT")),JV.ActionManager.newAction(34,"_selectOr",J.i18n.GT.o(J.i18n.GT.$("add this group of atoms to the set of selected atoms (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT")),JV.ActionManager.newAction(35, -"_selectToggle",J.i18n.GT.o(J.i18n.GT.$("toggle selection (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT/RASMOL")),JV.ActionManager.newAction(36,"_selectToggleOr",J.i18n.GT.o(J.i18n.GT.$("if all are selected, unselect all, otherwise add this group of atoms to the set of selected atoms (requires {0})"),"set pickingStyle DRAG")),JV.ActionManager.newAction(37,"_setMeasure",J.i18n.GT.$("pick an atom to initiate or conclude a measurement")),JV.ActionManager.newAction(38,"_slab",J.i18n.GT.o(J.i18n.GT.$("adjust slab (front plane; requires {0})"), -"SLAB ON")),JV.ActionManager.newAction(39,"_slabAndDepth",J.i18n.GT.o(J.i18n.GT.$("move slab/depth window (both planes; requires {0})"),"SLAB ON")),JV.ActionManager.newAction(40,"_slideZoom",J.i18n.GT.$("zoom (along right edge of window)")),JV.ActionManager.newAction(41,"_spinDrawObjectCCW",J.i18n.GT.o(J.i18n.GT.$("click on two points to spin around axis counterclockwise (requires {0})"),"set picking SPIN")),JV.ActionManager.newAction(42,"_spinDrawObjectCW",J.i18n.GT.o(J.i18n.GT.$("click on two points to spin around axis clockwise (requires {0})"), -"set picking SPIN")),JV.ActionManager.newAction(43,"_stopMotion",J.i18n.GT.o(J.i18n.GT.$("stop motion (requires {0})"),"set waitForMoveTo FALSE")),JV.ActionManager.newAction(44,"_swipe",J.i18n.GT.$("spin model (swipe and release button and stop motion simultaneously)")),JV.ActionManager.newAction(45,"_translate",J.i18n.GT.$("translate")),JV.ActionManager.newAction(46,"_wheelZoom",J.i18n.GT.$("zoom")))});c$.getActionName=c(c$,"getActionName",function(a){return aa||a>=JV.ActionManager.pickingModeNames.length?"off":JV.ActionManager.pickingModeNames[a]},"~N");c$.getPickingMode=c(c$,"getPickingMode",function(a){for(var b=JV.ActionManager.pickingModeNames.length;0<=--b;)if(a.equalsIgnoreCase(JV.ActionManager.pickingModeNames[b]))return b; -return-1},"~S");c$.getPickingStyleName=c(c$,"getPickingStyleName",function(a){return 0>a||a>=JV.ActionManager.pickingStyleNames.length?"toggle":JV.ActionManager.pickingStyleNames[a]},"~N");c$.getPickingStyleIndex=c(c$,"getPickingStyleIndex",function(a){for(var b=JV.ActionManager.pickingStyleNames.length;0<=--b;)if(a.equalsIgnoreCase(JV.ActionManager.pickingStyleNames[b]))return b;return-1},"~S");c(c$,"getAtomPickingMode",function(){return this.apm});c(c$,"setPickingMode",function(a){var b=!1;switch(a){case -1:b= -!0;this.bondPickingMode=35;a=1;this.vwr.setStringProperty("pickingStyle","toggle");this.vwr.setBooleanProperty("bondPicking",!1);break;case 35:case 34:case 33:case 8:this.vwr.setBooleanProperty("bondPicking",!0);this.bondPickingMode=a;this.resetMeasurement();return}b=(new Boolean(b|this.apm!=a)).valueOf();this.apm=a;b&&this.resetMeasurement()},"~N");c(c$,"getPickingState",function(){var a=";set modelkitMode "+this.vwr.getBoolean(603983903)+";set picking "+JV.ActionManager.getPickingModeName(this.apm); -32==this.apm&&(a+="_"+this.vwr.getModelkitProperty("atomType"));a+=";";0!=this.bondPickingMode&&(a+="set picking "+JV.ActionManager.getPickingModeName(this.bondPickingMode));33==this.bondPickingMode&&(a+="_"+this.vwr.getModelkitProperty("bondType"));return a+";"});c(c$,"getPickingStyle",function(){return this.pickingStyle});c(c$,"setPickingStyle",function(a){this.pickingStyle=a;4<=a?(this.pickingStyleMeasure=a,this.resetMeasurement()):(3>a&&(this.rootPickingStyle=a),this.pickingStyleSelect=a);this.rubberbandSelectionMode= -!1;switch(this.pickingStyleSelect){case 2:this.b.name.equals("extendedSelect")||this.setBinding(null==this.pfaatBinding?this.pfaatBinding=JV.binding.Binding.newBinding(this.vwr,"Pfaat"):this.pfaatBinding);break;case 3:this.b.name.equals("drag")||this.setBinding(null==this.dragBinding?this.dragBinding=JV.binding.Binding.newBinding(this.vwr,"Drag"):this.dragBinding);this.rubberbandSelectionMode=!0;break;case 1:this.b.name.equals("selectOrToggle")||this.setBinding(null==this.rasmolBinding?this.rasmolBinding= -JV.binding.Binding.newBinding(this.vwr,"Rasmol"):this.rasmolBinding);break;default:this.b!==this.jmolBinding&&this.setBinding(this.jmolBinding)}this.b.name.equals("drag")||(this.predragBinding=this.b)},"~N");c(c$,"setGestureSwipeFactor",function(a){this.gestureSwipeFactor=a},"~N");c(c$,"setMouseDragFactor",function(a){this.mouseDragFactor=a},"~N");c(c$,"setMouseWheelFactor",function(a){this.mouseWheelFactor=a},"~N");c(c$,"isDraggedIsShiftDown",function(){return 0!=(this.dragged.modifiers&1)});c(c$, -"setCurrent",function(a,b,d,c){this.vwr.hoverOff();this.current.set(a,b,d,c)},"~N,~N,~N,~N");c(c$,"getCurrentX",function(){return this.current.x});c(c$,"getCurrentY",function(){return this.current.y});c(c$,"setMouseMode",function(){this.drawMode=this.labelMode=!1;this.dragSelectedMode=this.vwr.getDragSelected();this.measuresEnabled=!this.dragSelectedMode;if(!this.dragSelectedMode)switch(this.apm){default:return;case 32:this.measuresEnabled=!this.vwr.getModelkit(!1).isPickAtomAssignCharge();return; -case 4:this.drawMode=!0;this.measuresEnabled=!1;break;case 2:this.labelMode=!0;this.measuresEnabled=!1;break;case 9:this.measuresEnabled=!1;break;case 19:case 22:case 20:case 21:this.measuresEnabled=!1;return}this.exitMeasurementMode(null)});c(c$,"clearMouseInfo",function(){this.pressedCount=this.clickedCount=0;this.dragGesture.setAction(0,0);this.exitMeasurementMode(null)});c(c$,"setDragAtomIndex",function(a){this.dragAtomIndex=a;this.setAtomsPicked(JU.BSUtil.newAndSetBit(a),"Label picked for atomIndex = "+ -a)},"~N");c(c$,"isMTClient",function(){return this.isMultiTouchClient});c(c$,"isMTServer",function(){return this.isMultiTouchServer});c(c$,"dispose",function(){this.clear()});c(c$,"clear",function(){this.startHoverWatcher(!1);null!=this.predragBinding&&(this.b=this.predragBinding);this.vwr.setPickingMode(null,1);this.vwr.setPickingStyle(null,this.rootPickingStyle);this.isAltKeyReleased=!0});c(c$,"startHoverWatcher",function(a){if(!this.vwr.isPreviewOnly)try{a?null==this.hoverWatcherThread&&(this.current.time= --1,this.hoverWatcherThread=new J.thread.HoverWatcherThread(this,this.current,this.moved,this.vwr)):null!=this.hoverWatcherThread&&(this.current.time=-1,this.hoverWatcherThread.interrupt(),this.hoverWatcherThread=null)}catch(b){if(!D(b,Exception))throw b;}},"~B");c(c$,"setModeMouse",function(a){-1==a&&this.startHoverWatcher(!1)},"~N");h(c$,"keyPressed",function(a,b){if(this.keyProcessing)return!1;this.keyProcessing=!0;switch(a){case 18:this.dragSelectedMode&&this.isAltKeyReleased&&this.vwr.moveSelected(-2147483648, -0,-2147483648,-2147483648,-2147483648,null,!1,!1,b);this.isAltKeyReleased=!1;this.moved.modifiers|=8;break;case 16:this.dragged.modifiers|=1;this.moved.modifiers|=1;break;case 17:this.moved.modifiers|=2;break;case 27:this.vwr.hoverOff();this.exitMeasurementMode("escape");break;default:this.vwr.hoverOff()}var d=8464|this.moved.modifiers;!this.labelMode&&!this.b.isUserAction(d)&&this.checkMotionRotateZoom(d,this.current.x,0,0,!1);if(this.vwr.getBoolean(603979889))switch(a){case 38:case 40:case 37:case 39:case 32:case 46:this.vwr.navigate(a, -b)}this.keyProcessing=!1;return!0},"~N,~N");h(c$,"keyTyped",function(){return!1},"~N,~N");h(c$,"keyReleased",function(a){switch(a){case 18:this.moved.modifiers&=-9;this.dragSelectedMode&&this.vwr.moveSelected(2147483647,0,-2147483648,-2147483648,-2147483648,null,!1,!1,this.moved.modifiers);this.isAltKeyReleased=!0;break;case 16:this.moved.modifiers&=-2;break;case 17:this.moved.modifiers&=-3}0==this.moved.modifiers&&this.vwr.setCursor(0);if(this.vwr.getBoolean(603979889))switch(a){case 38:case 40:case 37:case 39:this.vwr.navigate(0, -0)}},"~N");h(c$,"mouseEnterExit",function(a,b,d,c){this.vwr.tm.stereoDoubleDTI&&(b<<=1);this.setCurrent(a,b,d,0);c&&this.exitMeasurementMode("mouseExit")},"~N,~N,~N,~B");c(c$,"setMouseActions",function(a,b,d){this.pressAction=JV.binding.Binding.getMouseAction(a,b,d?5:4);this.dragAction=JV.binding.Binding.getMouseAction(a,b,1);this.clickAction=JV.binding.Binding.getMouseAction(a,b,2)},"~N,~N,~B");h(c$,"mouseAction",function(a,b,d,c,g,f){if(this.vwr.getMouseEnabled())switch(JU.Logger.debuggingHigh&& -(0!=a&&this.vwr.getBoolean(603979960))&&this.vwr.showString("mouse action: "+a+" "+f+" "+JV.binding.Binding.getMouseActionName(JV.binding.Binding.getMouseAction(g,f,a),!1),!1),this.vwr.tm.stereoDoubleDTI&&(d<<=1),a){case 0:this.setCurrent(b,d,c,f);this.moved.setCurrent(this.current,0);if(null!=this.mp||this.hoverActive){this.clickAction=JV.binding.Binding.getMouseAction(this.clickedCount,f,0);this.checkClickAction(d,c,b,0);break}if(this.isZoomArea(d)){this.checkMotionRotateZoom(this.LEFT_DRAGGED, -0,0,0,!1);break}8==this.vwr.currentCursor&&this.vwr.setCursor(0);break;case 4:this.setMouseMode();this.pressedCount=this.pressed.check(20,d,c,f,b,700)?this.pressedCount+1:1;1==this.pressedCount&&(this.vwr.checkInMotion(1),this.setCurrent(b,d,c,f));this.pressAction=JV.binding.Binding.getMouseAction(this.pressedCount,f,4);this.vwr.setCursor(12);this.pressed.setCurrent(this.current,1);this.dragged.setCurrent(this.current,1);this.vwr.setFocus();this.dragGesture.setAction(this.dragAction,b);this.checkPressedAction(d, -c,b);break;case 1:this.setMouseMode();this.setMouseActions(this.pressedCount,f,!1);a=d-this.dragged.x;g=c-this.dragged.y;this.setCurrent(b,d,c,f);this.dragged.setCurrent(this.current,-1);this.dragGesture.add(this.dragAction,d,c,b);this.checkDragWheelAction(this.dragAction,d,c,a,g,b,1);break;case 5:this.setMouseActions(this.pressedCount,f,!0);this.setCurrent(b,d,c,f);this.vwr.spinXYBy(0,0,0);f=!this.pressed.check(10,d,c,f,b,9223372036854775E3);this.checkReleaseAction(d,c,b,f);break;case 3:if(this.vwr.isApplet&& -!this.vwr.hasFocus())break;this.setCurrent(b,this.current.x,this.current.y,f);this.checkDragWheelAction(JV.binding.Binding.getMouseAction(0,f,3),this.current.x,this.current.y,0,c,b,3);break;case 2:this.setMouseMode();this.clickedCount=1b||(1==this.dragGesture.getPointCount()?this.vwr.undoMoveActionClear(b,2,!0):this.vwr.moveSelected(2147483647,0, --2147483648,-2147483648,-2147483648,null,!1,!1,h),this.dragSelected(a,c,g,!1));else{if(this.isDrawOrLabelAction(a)&&(this.setMotion(13,!0),this.vwr.checkObjectDragged(this.dragged.x,this.dragged.y,b,d,a)))return;if(this.checkMotionRotateZoom(a,b,c,g,!0))this.vwr.tm.slabEnabled&&this.bnd(a,[39])?this.vwr.slabDepthByPixels(g):this.vwr.zoomBy(g);else if(this.bnd(a,[25]))this.vwr.rotateXYBy(this.getDegrees(c,!0),this.getDegrees(g,!1));else if(this.bnd(a,[29]))0==c&&1this.dragAtomIndex?this.exitMeasurementMode(null):34==this.bondPickingMode?(this.vwr.setModelkitProperty("bondAtomIndex",Integer.$valueOf(this.dragAtomIndex)),this.exitMeasurementMode(null)):this.assignNew(a,b);else if(this.dragAtomIndex=-1,this.mkBondPressed=!1,this.isRubberBandSelect(this.dragAction)&& -this.selectRb(this.clickAction),this.rubberbandSelectionMode=this.b.name.equals("drag"),this.rectRubber.x=2147483647,c&&this.vwr.notifyMouseClicked(a,b,JV.binding.Binding.getMouseAction(this.pressedCount,0,5),5),this.isDrawOrLabelAction(this.dragAction))this.vwr.checkObjectDragged(2147483647,0,a,b,this.dragAction);else if(this.haveSelection&&(this.dragSelectedMode&&this.bnd(this.dragAction,[13]))&&this.vwr.moveSelected(2147483647,0,-2147483648,-2147483648,-2147483648,null,!1,!1,this.dragged.modifiers), -(!c||!this.checkUserAction(this.pressAction,a,b,0,0,d,5))&&this.vwr.getBoolean(603979780)&&this.bnd(this.dragAction,[44]))a=this.getExitRate(),0h&&this.reset()}}},"~N,~N,~N,~N");c(c$,"pickLabel",function(a){var b=this.vwr.ms.at[a].atomPropertyString(this.vwr,1825200146);2==this.pressedCount?(b=this.vwr.apiPlatform.prompt("Set label for atomIndex="+ -a,b,null,!1),null!=b&&(this.vwr.shm.setAtomLabel(b,a),this.vwr.refresh(1,"label atom"))):this.setAtomsPicked(JU.BSUtil.newAndSetBit(a),"Label picked for atomIndex = "+a+": "+b)},"~N");c(c$,"checkUserAction",function(a,b,d,c,g,f,j){if(!this.b.isUserAction(a))return!1;for(var h=!1,l,n=this.b.getBindings(),m=a+"\t",p,q=n.keySet().iterator();q.hasNext()&&((p=q.next())||1);)if(0==p.indexOf(m)&&JU.AU.isAS(l=n.get(p))){var u=l[1],r=null;if(0<=u.indexOf("_ATOM")){var s=this.findNearestAtom(b,d,null,!0),u= -JU.PT.rep(u,"_ATOM","({"+(0<=s?""+s:"")+"})");0<=s&&(u=JU.PT.rep(u,"_POINT",JU.Escape.eP(this.vwr.ms.at[s])))}if(!this.drawMode&&(0<=u.indexOf("_POINT")||0<=u.indexOf("_OBJECT")||0<=u.indexOf("_BOND"))){s=this.vwr.checkObjectClicked(b,d,a);if(null!=s&&null!=(r=s.get("pt")))s.get("type").equals("bond")&&(u=JU.PT.rep(u,"_BOND","[{"+s.get("index")+"}]")),u=JU.PT.rep(u,"_POINT",JU.Escape.eP(r)),u=JU.PT.rep(u,"_OBJECT",JU.Escape.escapeMap(s));u=JU.PT.rep(u,"_BOND","[{}]");u=JU.PT.rep(u,"_OBJECT","{}")}u= -JU.PT.rep(u,"_POINT","{}");u=JU.PT.rep(u,"_ACTION",""+a);u=JU.PT.rep(u,"_X",""+b);u=JU.PT.rep(u,"_Y",""+(this.vwr.getScreenHeight()-d));u=JU.PT.rep(u,"_DELTAX",""+c);u=JU.PT.rep(u,"_DELTAY",""+g);u=JU.PT.rep(u,"_TIME",""+f);u=JU.PT.rep(u,"_MODE",""+j);u.startsWith("+:")&&(h=!0,u=u.substring(2));this.vwr.evalStringQuiet(u)}return!h},"~N,~N,~N,~N,~N,~N,~N");c(c$,"checkMotionRotateZoom",function(a,b,d,c,g){b=this.bnd(a,[40])&&this.isZoomArea(this.pressed.x);var f=this.bnd(a,[25]),j=this.bnd(a,[29]); -if(!b&&!f&&!j)return!1;a=(d=j&&(0==d||Math.abs(c)>5*Math.abs(d)))||this.isZoomArea(this.moved.x)||this.bnd(a,[46])?8:f||j?13:this.bnd(a,[1])?12:0;this.setMotion(a,g);return d||b},"~N,~N,~N,~N,~B");c(c$,"getExitRate",function(){var a=this.dragGesture.getTimeDifference(2);return this.isMultiTouch?8098*this.vwr.getScreenWidth()*(this.vwr.tm.stereoDoubleFull||this.vwr.tm.stereoDoubleDTI?2:1)/100},"~N");c(c$,"getPoint",function(a){var b=new JU.Point3fi;b.setT(a.get("pt"));b.mi=a.get("modelIndex").intValue(); -return b},"java.util.Map");c(c$,"findNearestAtom",function(a,b,d,c){a=this.drawMode||null!=d?-1:this.vwr.findNearestAtomIndexMovable(a,b,!1);return 0<=a&&(c||null==this.mp)&&!this.vwr.slm.isInSelectionSubset(a)?-1:a},"~N,~N,JU.Point3fi,~B");c(c$,"isSelectAction",function(a){return this.bnd(a,[17])||!this.drawMode&&!this.labelMode&&1==this.apm&&this.bnd(a,[1])||this.dragSelectedMode&&this.bnd(this.dragAction,[27,13])||this.bnd(a,[22,35,32,34,36,30])},"~N");c(c$,"enterMeasurementMode",function(a){this.vwr.setPicked(a, -!0);this.vwr.setCursor(1);this.vwr.setPendingMeasurement(this.mp=this.getMP());this.measurementQueued=this.mp},"~N");c(c$,"getMP",function(){return J.api.Interface.getInterface("JM.MeasurementPending",this.vwr,"mouse").set(this.vwr.ms)});c(c$,"addToMeasurement",function(a,b,d){if(-1==a&&null==b||null==this.mp)return this.exitMeasurementMode(null),0;var c=this.mp.count;-2147483648!=this.mp.traceX&&2==c&&this.mp.setCount(c=1);return 4==c&&!d?c:this.mp.addPoint(a,b,!0)},"~N,JU.Point3fi,~B");c(c$,"resetMeasurement", -function(){this.exitMeasurementMode(null);this.measurementQueued=this.getMP()});c(c$,"exitMeasurementMode",function(a){null!=this.mp&&(this.vwr.setPendingMeasurement(this.mp=null),this.vwr.setCursor(0),null!=a&&this.vwr.refresh(3,a))},"~S");c(c$,"getSequence",function(){var a=this.measurementQueued.getAtomIndex(1),b=this.measurementQueued.getAtomIndex(2);if(!(0>a||0>b))try{var d=this.vwr.getSmilesOpt(null,a,b,1048576,null);this.vwr.setStatusMeasuring("measureSequence",-2,d,0)}catch(c){if(D(c,Exception))JU.Logger.error(c.toString()); -else throw c;}});c(c$,"minimize",function(a){var b=this.dragAtomIndex;a&&(this.dragAtomIndex=-1,this.mkBondPressed=!1);this.vwr.dragMinimizeAtom(b)},"~B");c(c$,"queueAtom",function(a,b){var d=this.measurementQueued.addPoint(a,b,!0);0<=a&&this.vwr.setStatusAtomPicked(a,"Atom #"+d+":"+this.vwr.getAtomInfo(a),null,!1);return d},"~N,JU.Point3fi");c(c$,"setMotion",function(a,b){switch(this.vwr.currentCursor){case 3:break;default:this.vwr.setCursor(a)}b&&this.vwr.setInMotion(!0)},"~N,~B");c(c$,"zoomByFactor", -function(a,b,d){0!=a&&(this.setMotion(8,!0),this.vwr.zoomByFactor(Math.pow(this.mouseWheelFactor,a),b,d),this.moved.setCurrent(this.current,0),this.vwr.setInMotion(!0),this.zoomTrigger=!0,this.startHoverWatcher(!0))},"~N,~N,~N");c(c$,"runScript",function(a){this.vwr.script(a)},"~S");c(c$,"atomOrPointPicked",function(a,b){if(0>a){this.resetMeasurement();if(this.bnd(this.clickAction,[33])){this.runScript("select none");return}if(5!=this.apm&&6!=this.apm)return}var d=2;switch(this.apm){case 28:case 29:return; -case 0:return;case 25:case 24:case 8:var d=8==this.apm,c=25==this.apm;if(!this.bnd(this.clickAction,[d?5:3]))return;if(null==this.measurementQueued||0==this.measurementQueued.count||2d)this.resetMeasurement(),this.enterMeasurementMode(a);this.addToMeasurement(a,b,!0);this.queueAtom(a,b);c=this.measurementQueued.count;1==c&&this.vwr.setPicked(a,!0);if(cc?d?this.vwr.scriptStatus(1==c?J.i18n.GT.$("pick one more atom in order to spin the model around an axis"):J.i18n.GT.$("pick two atoms in order to spin the model around an axis")):this.vwr.scriptStatus(1==c?J.i18n.GT.$("pick one more atom in order to display the symmetry relationship"):J.i18n.GT.$("pick two atoms in order to display the symmetry relationship between them")):(c=this.measurementQueued.getMeasurementScript(" ",!1),d?this.runScript("spin"+c+" "+ -this.vwr.getInt(553648157)):this.runScript("draw symop "+c+";show symop "+c))}},"JU.Point3fi,~N");c(c$,"reset",function(){this.runScript("!reset")});c(c$,"selectAtoms",function(a){if(!(null!=this.mp||this.selectionWorking)){this.selectionWorking=!0;var b=this.rubberbandSelectionMode||this.bnd(this.clickAction,[35])?"selected and not ("+a+") or (not selected) and ":this.bnd(this.clickAction,[32])?"selected and not ":this.bnd(this.clickAction,[34])?"selected or ":0==this.clickAction||this.bnd(this.clickAction, -[36])?"selected tog ":this.bnd(this.clickAction,[30])?"":null;if(null!=b)try{var d=this.vwr.getAtomBitSetEval(null,b+("("+a+")"));this.setAtomsPicked(d,"selected: "+JU.Escape.eBS(d));this.vwr.refresh(3,"selections set")}catch(c){if(!D(c,Exception))throw c;}this.selectionWorking=!1}},"~S");c(c$,"setAtomsPicked",function(a,b){this.vwr.select(a,!1,0,!1);this.vwr.setStatusAtomPicked(-1,b,null,!1)},"JU.BS,~S");c(c$,"selectRb",function(a){var b=this.vwr.ms.findAtomsInRectangle(this.rectRubber);0=a&&this.runScript("!measure "+this.mp.getMeasurementScript(" 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1:j=c;break;case 2:j=g;break;default:j=1}b[e]=a[6+e]*j}this.matrixCartesianToFractional=JU.M4.newA16(b);this.matrixCartesianToFractional.getTranslation(this.fractionalOrigin); +this.matrixFractionalToCartesian=JU.M4.newM4(this.matrixCartesianToFractional).invert();1==a[0]&&this.setParamsFromMatrix()}else 14this.b||0>this.c?90:b.angle(d)/0.017453292,this.beta=0>this.c?90:a.angle(d)/0.017453292,this.gamma= +0>this.b?90:a.angle(b)/0.017453292)},"JU.V3,JU.V3,JU.V3");c(c$,"setCellParams",function(){this.cosAlpha=Math.cos(0.017453292*this.alpha);this.sinAlpha=Math.sin(0.017453292*this.alpha);this.cosBeta=Math.cos(0.017453292*this.beta);this.sinBeta=Math.sin(0.017453292*this.beta);this.cosGamma=Math.cos(0.017453292*this.gamma);this.sinGamma=Math.sin(0.017453292*this.gamma);var a=Math.sqrt(this.sinAlpha*this.sinAlpha+this.sinBeta*this.sinBeta+this.sinGamma*this.sinGamma+2*this.cosAlpha*this.cosBeta*this.cosGamma- +2);this.volume=this.a*this.b*this.c*a;this.cA_=(this.cosAlpha-this.cosBeta*this.cosGamma)/this.sinGamma;this.cB_=a/this.sinGamma;this.a_=this.b*this.c*this.sinAlpha/this.volume;this.b_=this.a*this.c*this.sinBeta/this.volume;this.c_=this.a*this.b*this.sinGamma/this.volume});c(c$,"getFractionalOrigin",function(){return this.fractionalOrigin});c(c$,"toSupercell",function(a){a.x/=this.na;a.y/=this.nb;a.z/=this.nc;return a},"JU.P3");c(c$,"toCartesian",function(a,b){null!=this.matrixFractionalToCartesian&& +(b?this.matrixFtoCNoOffset:this.matrixFractionalToCartesian).rotTrans(a)},"JU.T3,~B");c(c$,"toFractionalM",function(a){null!=this.matrixCartesianToFractional&&(a.mul(this.matrixFractionalToCartesian),a.mul2(this.matrixCartesianToFractional,a))},"JU.M4");c(c$,"toFractional",function(a,b){null!=this.matrixCartesianToFractional&&(b?this.matrixCtoFNoOffset:this.matrixCartesianToFractional).rotTrans(a)},"JU.T3,~B");c(c$,"isPolymer",function(){return 1==this.dimension});c(c$,"isSlab",function(){return 2== +this.dimension});c(c$,"getUnitCellParams",function(){return this.unitCellParams});c(c$,"getUnitCellAsArray",function(a){var b=this.matrixFractionalToCartesian;return a?K(-1,[b.m00,b.m10,b.m20,b.m01,b.m11,b.m21,b.m02,b.m12,b.m22]):K(-1,[this.a,this.b,this.c,this.alpha,this.beta,this.gamma,b.m00,b.m10,b.m20,b.m01,b.m11,b.m21,b.m02,b.m12,b.m22,this.dimension,this.volume])},"~B");c(c$,"getInfo",function(a){switch(a){case 0:return this.a;case 1:return this.b;case 2:return this.c;case 3:return this.alpha; +case 4:return this.beta;case 5:return this.gamma;case 6:return this.dimension}return NaN},"~N");c$.ijkToPoint3f=c(c$,"ijkToPoint3f",function(a,b,d,c){var g=1E9=a.x||0.98<=a.x)b/=2;if(0.02>=a.y||0.98<=a.y)b/=2;if(0.02>=a.z||0.98<=a.z)b/=2;return b},"JU.P3");c$.getReciprocal=c(c$,"getReciprocal",function(a,b,d){var c=Array(4),g=4==a.length?1:0;c[0]=1==g?JU.P3.newP(a[0]):new JU.P3;for(var e=0;3>e;e++)c[e+1]=new JU.P3,c[e+1].cross(a[(e+g)%3+g],a[(e+g+1)%3+g]),c[e+1].scale(d/a[e+g].dot(c[e+1]));if(null==b)return c;for(e=0;4>e;e++)b[e]=c[e];return b},"~A,~A,~N"); +c$.setOabc=c(c$,"setOabc",function(a,b,d){if(null!=a&&(null==b&&(b=K(6,0)),a=JU.PT.split(a.$replace(",","="),"="),12<=a.length))for(var c=0;6>c;c++)b[c]=JU.PT.parseFloat(a[2*c+1]);if(null==d)return null;b=JU.SimpleUnitCell.newA(b).getUnitCellAsArray(!0);d[1].set(b[0],b[1],b[2]);d[2].set(b[3],b[4],b[5]);d[3].set(b[6],b[7],b[8]);return d},"~S,~A,~A");c$.setMinMaxLatticeParameters=c(c$,"setMinMaxLatticeParameters",function(a,b,d,c){if(d.x<=d.y&&555<=d.y){var g=new JU.P3;JU.SimpleUnitCell.ijkToPoint3f(d.x, +g,0,c);b.x=C(g.x);b.y=C(g.y);b.z=C(g.z);JU.SimpleUnitCell.ijkToPoint3f(d.y,g,1,c);d.x=C(g.x);d.y=C(g.y);d.z=C(g.z)}switch(a){case 1:b.y=0,d.y=1;case 2:b.z=0,d.z=1}},"~N,JU.P3i,JU.P3i,~N");h(c$,"toString",function(){return"["+this.a+" "+this.b+" "+this.c+" "+this.alpha+" "+this.beta+" "+this.gamma+"]"});G(c$,"toRadians",0.017453292,"INFO_DIMENSIONS",6,"INFO_GAMMA",5,"INFO_BETA",4,"INFO_ALPHA",3,"INFO_C",2,"INFO_B",1,"INFO_A",0,"SLOP",0.02,"SLOP1",0.98)});m("JU");x(null,"JU.TempArray",["java.lang.Boolean", +"$.Float","JU.P3","$.P3i"],function(){c$=u(function(){this.freeEnum=this.lengthsFreeEnum=this.freeScreens=this.lengthsFreeScreens=this.freePoints=this.lengthsFreePoints=null;t(this,arguments)},JU,"TempArray");O(c$,function(){this.lengthsFreePoints=A(6,0);this.freePoints=Array(6);this.lengthsFreeScreens=A(6,0);this.freeScreens=Array(6);this.lengthsFreeEnum=A(2,0);this.freeEnum=Array(2)});p(c$,function(){});c(c$,"clear",function(){this.clearTempPoints();this.clearTempScreens()});c$.findBestFit=c(c$, +"findBestFit",function(a,b){for(var d=-1,c=2147483647,g=b.length;0<=--g;){var e=b[g];e>=a&&ea;a++)this.lengthsFreePoints[a]=0,this.freePoints[a]=null});c(c$,"allocTempPoints",function(a){var b;b=JU.TempArray.findBestFit(a, +this.lengthsFreePoints);if(0a;a++)this.lengthsFreeScreens[a]=0,this.freeScreens[a]=null});c(c$,"allocTempScreens",function(a){var b; +b=JU.TempArray.findBestFit(a,this.lengthsFreeScreens);if(0b.indexOf("@{")&&0>b.indexOf("%{"))return b;var c=b,g=0<=c.indexOf("\\");g&&(c=JU.PT.rep(c,"\\%","\u0001"),c=JU.PT.rep(c,"\\@","\u0002"),g=!c.equals(b));for(var c=JU.PT.rep(c,"%{","@{"),e;0<=(d=c.indexOf("@{"));){d++;var j=d+1;e=c.length;for(var h=1,l="\x00", +r="\x00";0=e)return c;e=c.substring(j,d);if(0==e.length)return c;e=a.evaluateExpression(e);s(e,JU.P3)&&(e=JU.Escape.eP(e));c=c.substring(0,j-2)+e.toString()+c.substring(d+1)}g&&(c=JU.PT.rep(c,"\u0002","@"),c=JU.PT.rep(c,"\u0001","%"));return c},"J.api.JmolViewer,~S")});m("JU");x(["JU.V3"],"JU.Vibration",["JU.P3"],function(){c$=u(function(){this.modDim= +-1;this.modScale=NaN;this.showTrace=!1;this.trace=null;this.tracePt=0;t(this,arguments)},JU,"Vibration",JU.V3);c(c$,"setCalcPoint",function(a,b,d){switch(this.modDim){case -2:break;default:a.scaleAdd2(Math.cos(6.283185307179586*b.x)*d,this,a)}return a},"JU.T3,JU.T3,~N,~N");c(c$,"getInfo",function(a){a.put("vibVector",JU.V3.newV(this));a.put("vibType",-2==this.modDim?"spin":-1==this.modDim?"vib":"mod")},"java.util.Map");h(c$,"clone",function(){var a=new JU.Vibration;a.setT(this);a.modDim=this.modDim; +return a});c(c$,"setXYZ",function(a){this.setT(a)},"JU.T3");c(c$,"setType",function(a){this.modDim=a;return this},"~N");c(c$,"isNonzero",function(){return 0!=this.x||0!=this.y||0!=this.z});c(c$,"getOccupancy100",function(){return-2147483648},"~B");c(c$,"startTrace",function(a){this.trace=Array(a);this.tracePt=a},"~N");c(c$,"addTracePt",function(a,b){(null==this.trace||0==a||a!=this.trace.length)&&this.startTrace(a);if(null!=b&&2=--this.tracePt){for(var d=this.trace[this.trace.length-1],c= +this.trace.length;1<=--c;)this.trace[c]=this.trace[c-1];this.trace[1]=d;this.tracePt=1}d=this.trace[this.tracePt];null==d&&(d=this.trace[this.tracePt]=new JU.P3);d.setT(b)}return this.trace},"~N,JU.Point3fi");G(c$,"twoPI",6.283185307179586,"TYPE_VIBRATION",-1,"TYPE_SPIN",-2)});m("JV");x(["J.api.EventManager","JU.Rectangle","JV.MouseState"],["JV.MotionPoint","$.ActionManager","$.Gesture"],"java.lang.Float JU.AU $.PT J.api.Interface J.i18n.GT JS.SV $.ScriptEval J.thread.HoverWatcherThread JU.BSUtil $.Escape $.Logger $.Point3fi JV.Viewer JV.binding.Binding $.JmolBinding".split(" "), +function(){c$=u(function(){this.vwr=null;this.isMultiTouch=this.haveMultiTouchInput=!1;this.predragBinding=this.rasmolBinding=this.dragBinding=this.pfaatBinding=this.jmolBinding=this.b=null;this.LEFT_DRAGGED=this.LEFT_CLICKED=0;this.dragGesture=this.hoverWatcherThread=null;this.apm=1;this.pickingStyleSelect=this.pickingStyle=this.bondPickingMode=0;this.pickingStyleMeasure=5;this.rootPickingStyle=0;this.mouseDragFactor=this.gestureSwipeFactor=1;this.mouseWheelFactor=1.15;this.dragged=this.pressed= +this.clicked=this.moved=this.current=null;this.clickedCount=this.pressedCount=0;this.dragSelectedMode=this.labelMode=this.drawMode=!1;this.measuresEnabled=!0;this.hoverActive=this.haveSelection=!1;this.mp=null;this.dragAtomIndex=-1;this.rubberbandSelectionMode=this.mkBondPressed=!1;this.rectRubber=null;this.isAltKeyReleased=!0;this.isMultiTouchServer=this.isMultiTouchClient=this.keyProcessing=!1;this.clickAction=this.dragAction=this.pressAction=0;this.measurementQueued=null;this.selectionWorking= +this.zoomTrigger=!1;t(this,arguments)},JV,"ActionManager",null,J.api.EventManager);O(c$,function(){this.current=new JV.MouseState("current");this.moved=new JV.MouseState("moved");this.clicked=new JV.MouseState("clicked");this.pressed=new JV.MouseState("pressed");this.dragged=new JV.MouseState("dragged");this.rectRubber=new JU.Rectangle});c(c$,"setViewer",function(a){this.vwr=a;JV.Viewer.isJS||this.createActions();this.setBinding(this.jmolBinding=new JV.binding.JmolBinding);this.LEFT_CLICKED=JV.binding.Binding.getMouseAction(1, +16,2);this.LEFT_DRAGGED=JV.binding.Binding.getMouseAction(1,16,1);this.dragGesture=new JV.Gesture(20,a)},"JV.Viewer,~S");c(c$,"checkHover",function(){if(this.zoomTrigger)this.zoomTrigger=!1,8==this.vwr.currentCursor&&this.vwr.setCursor(0),this.vwr.setInMotion(!1);else if(!this.vwr.getInMotion(!0)&&!this.vwr.tm.spinOn&&!this.vwr.tm.navOn&&!this.vwr.checkObjectHovered(this.current.x,this.current.y)){var a=this.vwr.findNearestAtomIndex(this.current.x,this.current.y);if(!(0>a)){var b=2==this.apm&&this.bnd(JV.binding.Binding.getMouseAction(this.clickedCount, +this.moved.modifiers,1),[10]);this.vwr.hoverOn(a,b)}}});c(c$,"processMultitouchEvent",function(){},"~N,~N,~N,~N,JU.P3,~N");c(c$,"bind",function(a,b){var d=JV.ActionManager.getActionFromName(b),c=JV.binding.Binding.getMouseActionStr(a);0!=c&&(0<=d?this.b.bindAction(c,d):this.b.bindName(c,b))},"~S,~S");c(c$,"clearBindings",function(){this.setBinding(this.jmolBinding=new JV.binding.JmolBinding);this.rasmolBinding=this.dragBinding=this.pfaatBinding=null});c(c$,"unbindAction",function(a,b){if(null==a&& +null==b)this.clearBindings();else{var d=JV.ActionManager.getActionFromName(b),c=JV.binding.Binding.getMouseActionStr(a);0<=d?this.b.unbindAction(c,d):0!=c&&this.b.unbindName(c,b);null==b&&this.b.unbindUserAction(a)}},"~S,~S");c$.newAction=c(c$,"newAction",function(a,b,d){JV.ActionManager.actionInfo[a]=d;JV.ActionManager.actionNames[a]=b},"~N,~S,~S");c(c$,"createActions",function(){null==JV.ActionManager.actionInfo[0]&&(JV.ActionManager.newAction(0,"_assignNew",J.i18n.GT.o(J.i18n.GT.$("assign/new atom or bond (requires {0})"), +"set picking assignAtom_??/assignBond_?")),JV.ActionManager.newAction(1,"_center",J.i18n.GT.$("center")),JV.ActionManager.newAction(2,"_clickFrank",J.i18n.GT.$("pop up recent context menu (click on Jmol frank)")),JV.ActionManager.newAction(4,"_deleteAtom",J.i18n.GT.o(J.i18n.GT.$("delete atom (requires {0})"),"set picking DELETE ATOM")),JV.ActionManager.newAction(5,"_deleteBond",J.i18n.GT.o(J.i18n.GT.$("delete bond (requires {0})"),"set picking DELETE BOND")),JV.ActionManager.newAction(6,"_depth", +J.i18n.GT.o(J.i18n.GT.$("adjust depth (back plane; requires {0})"),"SLAB ON")),JV.ActionManager.newAction(7,"_dragAtom",J.i18n.GT.o(J.i18n.GT.$("move atom (requires {0})"),"set picking DRAGATOM")),JV.ActionManager.newAction(8,"_dragDrawObject",J.i18n.GT.o(J.i18n.GT.$("move whole DRAW object (requires {0})"),"set picking DRAW")),JV.ActionManager.newAction(9,"_dragDrawPoint",J.i18n.GT.o(J.i18n.GT.$("move specific DRAW point (requires {0})"),"set picking DRAW")),JV.ActionManager.newAction(10,"_dragLabel", +J.i18n.GT.o(J.i18n.GT.$("move label (requires {0})"),"set picking LABEL")),JV.ActionManager.newAction(11,"_dragMinimize",J.i18n.GT.o(J.i18n.GT.$("move atom and minimize molecule (requires {0})"),"set picking DRAGMINIMIZE")),JV.ActionManager.newAction(12,"_dragMinimizeMolecule",J.i18n.GT.o(J.i18n.GT.$("move and minimize molecule (requires {0})"),"set picking DRAGMINIMIZEMOLECULE")),JV.ActionManager.newAction(13,"_dragSelected",J.i18n.GT.o(J.i18n.GT.$("move selected atoms (requires {0})"),"set DRAGSELECTED")), +JV.ActionManager.newAction(14,"_dragZ",J.i18n.GT.o(J.i18n.GT.$("drag atoms in Z direction (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(15,"_multiTouchSimulation",J.i18n.GT.$("simulate multi-touch using the mouse)")),JV.ActionManager.newAction(16,"_navTranslate",J.i18n.GT.o(J.i18n.GT.$("translate navigation point (requires {0} and {1})"),v(-1,["set NAVIGATIONMODE","set picking NAVIGATE"]))),JV.ActionManager.newAction(17,"_pickAtom",J.i18n.GT.$("pick an atom")),JV.ActionManager.newAction(3, +"_pickConnect",J.i18n.GT.o(J.i18n.GT.$("connect atoms (requires {0})"),"set picking CONNECT")),JV.ActionManager.newAction(18,"_pickIsosurface",J.i18n.GT.o(J.i18n.GT.$("pick an ISOSURFACE point (requires {0}"),"set DRAWPICKING")),JV.ActionManager.newAction(19,"_pickLabel",J.i18n.GT.o(J.i18n.GT.$("pick a label to toggle it hidden/displayed (requires {0})"),"set picking LABEL")),JV.ActionManager.newAction(20,"_pickMeasure",J.i18n.GT.o(J.i18n.GT.$("pick an atom to include it in a measurement (after starting a measurement or after {0})"), +"set picking DISTANCE/ANGLE/TORSION")),JV.ActionManager.newAction(21,"_pickNavigate",J.i18n.GT.o(J.i18n.GT.$("pick a point or atom to navigate to (requires {0})"),"set NAVIGATIONMODE")),JV.ActionManager.newAction(22,"_pickPoint",J.i18n.GT.o(J.i18n.GT.$("pick a DRAW point (for measurements) (requires {0}"),"set DRAWPICKING")),JV.ActionManager.newAction(23,"_popupMenu",J.i18n.GT.$("pop up the full context menu")),JV.ActionManager.newAction(24,"_reset",J.i18n.GT.$("reset (when clicked off the model)")), +JV.ActionManager.newAction(25,"_rotate",J.i18n.GT.$("rotate")),JV.ActionManager.newAction(26,"_rotateBranch",J.i18n.GT.o(J.i18n.GT.$("rotate branch around bond (requires {0})"),"set picking ROTATEBOND")),JV.ActionManager.newAction(27,"_rotateSelected",J.i18n.GT.o(J.i18n.GT.$("rotate selected atoms (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(28,"_rotateZ",J.i18n.GT.$("rotate Z")),JV.ActionManager.newAction(29,"_rotateZorZoom",J.i18n.GT.$("rotate Z (horizontal motion of mouse) or zoom (vertical motion of mouse)")), +JV.ActionManager.newAction(30,"_select",J.i18n.GT.o(J.i18n.GT.$("select an atom (requires {0})"),"set pickingStyle EXTENDEDSELECT")),JV.ActionManager.newAction(31,"_selectAndDrag",J.i18n.GT.o(J.i18n.GT.$("select and drag atoms (requires {0})"),"set DRAGSELECTED")),JV.ActionManager.newAction(32,"_selectAndNot",J.i18n.GT.o(J.i18n.GT.$("unselect this group of atoms (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT")),JV.ActionManager.newAction(33,"_selectNone",J.i18n.GT.o(J.i18n.GT.$("select NONE (requires {0})"), +"set pickingStyle EXTENDEDSELECT")),JV.ActionManager.newAction(34,"_selectOr",J.i18n.GT.o(J.i18n.GT.$("add this group of atoms to the set of selected atoms (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT")),JV.ActionManager.newAction(35,"_selectToggle",J.i18n.GT.o(J.i18n.GT.$("toggle selection (requires {0})"),"set pickingStyle DRAG/EXTENDEDSELECT/RASMOL")),JV.ActionManager.newAction(36,"_selectToggleOr",J.i18n.GT.o(J.i18n.GT.$("if all are selected, unselect all, otherwise add this group of atoms to the set of selected atoms (requires {0})"), +"set pickingStyle DRAG")),JV.ActionManager.newAction(37,"_setMeasure",J.i18n.GT.$("pick an atom to initiate or conclude a measurement")),JV.ActionManager.newAction(38,"_slab",J.i18n.GT.o(J.i18n.GT.$("adjust slab (front plane; requires {0})"),"SLAB ON")),JV.ActionManager.newAction(39,"_slabAndDepth",J.i18n.GT.o(J.i18n.GT.$("move slab/depth window (both planes; requires {0})"),"SLAB ON")),JV.ActionManager.newAction(40,"_slideZoom",J.i18n.GT.$("zoom (along right edge of window)")),JV.ActionManager.newAction(41, +"_spinDrawObjectCCW",J.i18n.GT.o(J.i18n.GT.$("click on two points to spin around axis counterclockwise (requires {0})"),"set picking SPIN")),JV.ActionManager.newAction(42,"_spinDrawObjectCW",J.i18n.GT.o(J.i18n.GT.$("click on two points to spin around axis clockwise (requires {0})"),"set picking SPIN")),JV.ActionManager.newAction(43,"_stopMotion",J.i18n.GT.o(J.i18n.GT.$("stop motion (requires {0})"),"set waitForMoveTo FALSE")),JV.ActionManager.newAction(44,"_swipe",J.i18n.GT.$("spin model (swipe and release button and stop motion simultaneously)")), +JV.ActionManager.newAction(45,"_translate",J.i18n.GT.$("translate")),JV.ActionManager.newAction(46,"_wheelZoom",J.i18n.GT.$("zoom")))});c$.getActionName=c(c$,"getActionName",function(a){return aa||a>=JV.ActionManager.pickingModeNames.length? +"off":JV.ActionManager.pickingModeNames[a]},"~N");c$.getPickingMode=c(c$,"getPickingMode",function(a){for(var b=JV.ActionManager.pickingModeNames.length;0<=--b;)if(a.equalsIgnoreCase(JV.ActionManager.pickingModeNames[b]))return b;return-1},"~S");c$.getPickingStyleName=c(c$,"getPickingStyleName",function(a){return 0>a||a>=JV.ActionManager.pickingStyleNames.length?"toggle":JV.ActionManager.pickingStyleNames[a]},"~N");c$.getPickingStyleIndex=c(c$,"getPickingStyleIndex",function(a){for(var b=JV.ActionManager.pickingStyleNames.length;0<= +--b;)if(a.equalsIgnoreCase(JV.ActionManager.pickingStyleNames[b]))return b;return-1},"~S");c(c$,"getAtomPickingMode",function(){return this.apm});c(c$,"setPickingMode",function(a){var b=!1;switch(a){case -1:b=!0;this.bondPickingMode=35;a=1;this.vwr.setStringProperty("pickingStyle","toggle");this.vwr.setBooleanProperty("bondPicking",!1);break;case 35:case 34:case 33:case 8:this.vwr.setBooleanProperty("bondPicking",!0);this.bondPickingMode=a;this.resetMeasurement();return}b=(new Boolean(b|this.apm!= +a)).valueOf();this.apm=a;b&&this.resetMeasurement()},"~N");c(c$,"getPickingState",function(){var a=";set modelkitMode "+this.vwr.getBoolean(603983903)+";set picking "+JV.ActionManager.getPickingModeName(this.apm);32==this.apm&&(a+="_"+this.vwr.getModelkitProperty("atomType"));a+=";";0!=this.bondPickingMode&&(a+="set picking "+JV.ActionManager.getPickingModeName(this.bondPickingMode));33==this.bondPickingMode&&(a+="_"+this.vwr.getModelkitProperty("bondType"));return a+";"});c(c$,"getPickingStyle", +function(){return this.pickingStyle});c(c$,"setPickingStyle",function(a){this.pickingStyle=a;4<=a?(this.pickingStyleMeasure=a,this.resetMeasurement()):(3>a&&(this.rootPickingStyle=a),this.pickingStyleSelect=a);this.rubberbandSelectionMode=!1;switch(this.pickingStyleSelect){case 2:this.b.name.equals("extendedSelect")||this.setBinding(null==this.pfaatBinding?this.pfaatBinding=JV.binding.Binding.newBinding(this.vwr,"Pfaat"):this.pfaatBinding);break;case 3:this.b.name.equals("drag")||this.setBinding(null== +this.dragBinding?this.dragBinding=JV.binding.Binding.newBinding(this.vwr,"Drag"):this.dragBinding);this.rubberbandSelectionMode=!0;break;case 1:this.b.name.equals("selectOrToggle")||this.setBinding(null==this.rasmolBinding?this.rasmolBinding=JV.binding.Binding.newBinding(this.vwr,"Rasmol"):this.rasmolBinding);break;default:this.b!==this.jmolBinding&&this.setBinding(this.jmolBinding)}this.b.name.equals("drag")||(this.predragBinding=this.b)},"~N");c(c$,"setGestureSwipeFactor",function(a){this.gestureSwipeFactor= +a},"~N");c(c$,"setMouseDragFactor",function(a){this.mouseDragFactor=a},"~N");c(c$,"setMouseWheelFactor",function(a){this.mouseWheelFactor=a},"~N");c(c$,"isDraggedIsShiftDown",function(){return 0!=(this.dragged.modifiers&1)});c(c$,"setCurrent",function(a,b,d,c){this.vwr.hoverOff();this.current.set(a,b,d,c)},"~N,~N,~N,~N");c(c$,"getCurrentX",function(){return this.current.x});c(c$,"getCurrentY",function(){return this.current.y});c(c$,"setMouseMode",function(){this.drawMode=this.labelMode=!1;this.dragSelectedMode= +this.vwr.getDragSelected();this.measuresEnabled=!this.dragSelectedMode;if(!this.dragSelectedMode)switch(this.apm){default:return;case 32:this.measuresEnabled=!this.vwr.getModelkit(!1).isPickAtomAssignCharge();return;case 4:this.drawMode=!0;this.measuresEnabled=!1;break;case 2:this.labelMode=!0;this.measuresEnabled=!1;break;case 9:this.measuresEnabled=!1;break;case 19:case 22:case 20:case 21:this.measuresEnabled=!1;return}this.exitMeasurementMode(null)});c(c$,"clearMouseInfo",function(){this.pressedCount= +this.clickedCount=0;this.dragGesture.setAction(0,0);this.exitMeasurementMode(null)});c(c$,"setDragAtomIndex",function(a){this.dragAtomIndex=a;this.setAtomsPicked(JU.BSUtil.newAndSetBit(a),"Label picked for atomIndex = "+a)},"~N");c(c$,"isMTClient",function(){return this.isMultiTouchClient});c(c$,"isMTServer",function(){return this.isMultiTouchServer});c(c$,"dispose",function(){this.clear()});c(c$,"clear",function(){this.startHoverWatcher(!1);null!=this.predragBinding&&(this.b=this.predragBinding); +this.vwr.setPickingMode(null,1);this.vwr.setPickingStyle(null,this.rootPickingStyle);this.isAltKeyReleased=!0});c(c$,"startHoverWatcher",function(a){if(!this.vwr.isPreviewOnly)try{a?null==this.hoverWatcherThread&&(this.current.time=-1,this.hoverWatcherThread=new J.thread.HoverWatcherThread(this,this.current,this.moved,this.vwr)):null!=this.hoverWatcherThread&&(this.current.time=-1,this.hoverWatcherThread.interrupt(),this.hoverWatcherThread=null)}catch(b){if(!D(b,Exception))throw b;}},"~B");c(c$,"setModeMouse", +function(a){-1==a&&this.startHoverWatcher(!1)},"~N");h(c$,"keyPressed",function(a,b){if(this.keyProcessing)return!1;this.keyProcessing=!0;switch(a){case 18:this.dragSelectedMode&&this.isAltKeyReleased&&this.vwr.moveSelected(-2147483648,0,-2147483648,-2147483648,-2147483648,null,!1,!1,b);this.isAltKeyReleased=!1;this.moved.modifiers|=8;break;case 16:this.dragged.modifiers|=1;this.moved.modifiers|=1;break;case 17:this.moved.modifiers|=2;break;case 27:this.vwr.hoverOff();this.exitMeasurementMode("escape"); +break;default:this.vwr.hoverOff()}var d=8464|this.moved.modifiers;!this.labelMode&&!this.b.isUserAction(d)&&this.checkMotionRotateZoom(d,this.current.x,0,0,!1);if(this.vwr.getBoolean(603979889))switch(a){case 38:case 40:case 37:case 39:case 32:case 46:this.vwr.navigate(a,b)}this.keyProcessing=!1;return!0},"~N,~N");h(c$,"keyTyped",function(){return!1},"~N,~N");h(c$,"keyReleased",function(a){switch(a){case 18:this.moved.modifiers&=-9;this.dragSelectedMode&&this.vwr.moveSelected(2147483647,0,-2147483648, +-2147483648,-2147483648,null,!1,!1,this.moved.modifiers);this.isAltKeyReleased=!0;break;case 16:this.moved.modifiers&=-2;break;case 17:this.moved.modifiers&=-3}0==this.moved.modifiers&&this.vwr.setCursor(0);if(this.vwr.getBoolean(603979889))switch(a){case 38:case 40:case 37:case 39:this.vwr.navigate(0,0)}},"~N");h(c$,"mouseEnterExit",function(a,b,d,c){this.vwr.tm.stereoDoubleDTI&&(b<<=1);this.setCurrent(a,b,d,0);c&&this.exitMeasurementMode("mouseExit")},"~N,~N,~N,~B");c(c$,"setMouseActions",function(a, +b,d){this.pressAction=JV.binding.Binding.getMouseAction(a,b,d?5:4);this.dragAction=JV.binding.Binding.getMouseAction(a,b,1);this.clickAction=JV.binding.Binding.getMouseAction(a,b,2)},"~N,~N,~B");h(c$,"mouseAction",function(a,b,d,c,g,e){if(this.vwr.getMouseEnabled())switch(JU.Logger.debuggingHigh&&(0!=a&&this.vwr.getBoolean(603979960))&&this.vwr.showString("mouse action: "+a+" "+e+" "+JV.binding.Binding.getMouseActionName(JV.binding.Binding.getMouseAction(g,e,a),!1),!1),this.vwr.tm.stereoDoubleDTI&& +(d<<=1),a){case 0:this.setCurrent(b,d,c,e);this.moved.setCurrent(this.current,0);if(null!=this.mp||this.hoverActive){this.clickAction=JV.binding.Binding.getMouseAction(this.clickedCount,e,0);this.checkClickAction(d,c,b,0);break}if(this.isZoomArea(d)){this.checkMotionRotateZoom(this.LEFT_DRAGGED,0,0,0,!1);break}8==this.vwr.currentCursor&&this.vwr.setCursor(0);break;case 4:this.setMouseMode();this.pressedCount=this.pressed.check(20,d,c,e,b,700)?this.pressedCount+1:1;1==this.pressedCount&&(this.vwr.checkInMotion(1), +this.setCurrent(b,d,c,e));this.pressAction=JV.binding.Binding.getMouseAction(this.pressedCount,e,4);this.vwr.setCursor(12);this.pressed.setCurrent(this.current,1);this.dragged.setCurrent(this.current,1);this.vwr.setFocus();this.dragGesture.setAction(this.dragAction,b);this.checkPressedAction(d,c,b);break;case 1:this.setMouseMode();this.setMouseActions(this.pressedCount,e,!1);a=d-this.dragged.x;g=c-this.dragged.y;this.setCurrent(b,d,c,e);this.dragged.setCurrent(this.current,-1);this.dragGesture.add(this.dragAction, +d,c,b);this.checkDragWheelAction(this.dragAction,d,c,a,g,b,1);break;case 5:this.setMouseActions(this.pressedCount,e,!0);this.setCurrent(b,d,c,e);this.vwr.spinXYBy(0,0,0);e=!this.pressed.check(10,d,c,e,b,9223372036854775E3);this.checkReleaseAction(d,c,b,e);break;case 3:if(this.vwr.isApplet&&!this.vwr.hasFocus())break;this.setCurrent(b,this.current.x,this.current.y,e);this.checkDragWheelAction(JV.binding.Binding.getMouseAction(0,e,3),this.current.x,this.current.y,0,c,b,3);break;case 2:this.setMouseMode(); +this.clickedCount=1b||(1==this.dragGesture.getPointCount()?this.vwr.undoMoveActionClear(b,2,!0):this.vwr.moveSelected(2147483647,0,-2147483648,-2147483648,-2147483648,null,!1,!1,h),this.dragSelected(a,c,g,!1));else{if(this.isDrawOrLabelAction(a)&&(this.setMotion(13,!0),this.vwr.checkObjectDragged(this.dragged.x,this.dragged.y,b,d,a)))return;if(this.checkMotionRotateZoom(a,b,c,g,!0))this.vwr.tm.slabEnabled&&this.bnd(a, +[39])?this.vwr.slabDepthByPixels(g):this.vwr.zoomBy(g);else if(this.bnd(a,[25]))this.vwr.rotateXYBy(this.getDegrees(c,!0),this.getDegrees(g,!1));else if(this.bnd(a,[29]))0==c&&1this.dragAtomIndex?this.exitMeasurementMode(null):34==this.bondPickingMode? +(this.vwr.setModelkitProperty("bondAtomIndex",Integer.$valueOf(this.dragAtomIndex)),this.exitMeasurementMode(null)):this.assignNew(a,b);else if(this.dragAtomIndex=-1,this.mkBondPressed=!1,this.isRubberBandSelect(this.dragAction)&&this.selectRb(this.clickAction),this.rubberbandSelectionMode=this.b.name.equals("drag"),this.rectRubber.x=2147483647,c&&this.vwr.notifyMouseClicked(a,b,JV.binding.Binding.getMouseAction(this.pressedCount,0,5),5),this.isDrawOrLabelAction(this.dragAction))this.vwr.checkObjectDragged(2147483647, +0,a,b,this.dragAction);else if(this.haveSelection&&(this.dragSelectedMode&&this.bnd(this.dragAction,[13]))&&this.vwr.moveSelected(2147483647,0,-2147483648,-2147483648,-2147483648,null,!1,!1,this.dragged.modifiers),(!c||!this.checkUserAction(this.pressAction,a,b,0,0,d,5))&&this.vwr.getBoolean(603979780)&&this.bnd(this.dragAction,[44]))a=this.getExitRate(),0h&&this.reset()}}},"~N,~N,~N,~N");c(c$,"pickLabel",function(a){var b=this.vwr.ms.at[a].atomPropertyString(this.vwr,1825200146);2==this.pressedCount?(b=this.vwr.apiPlatform.prompt("Set label for atomIndex="+a,b,null,!1),null!=b&&(this.vwr.shm.setAtomLabel(b,a),this.vwr.refresh(1,"label atom"))):this.setAtomsPicked(JU.BSUtil.newAndSetBit(a),"Label picked for atomIndex = "+a+": "+b)},"~N");c(c$,"checkUserAction",function(a,b,d,c,g,e,j){if(!this.b.isUserAction(a))return!1; +for(var h=!1,l,r=this.b.getBindings(),n=a+"\t",q,m=r.keySet().iterator();m.hasNext()&&((q=m.next())||1);)if(0==q.indexOf(n)&&JU.AU.isAS(l=r.get(q))){var p=l[1],s=null;if(0<=p.indexOf("_ATOM")){var t=this.findNearestAtom(b,d,null,!0),p=JU.PT.rep(p,"_ATOM","({"+(0<=t?""+t:"")+"})");0<=t&&(p=JU.PT.rep(p,"_POINT",JU.Escape.eP(this.vwr.ms.at[t])))}if(!this.drawMode&&(0<=p.indexOf("_POINT")||0<=p.indexOf("_OBJECT")||0<=p.indexOf("_BOND"))){t=this.vwr.checkObjectClicked(b,d,a);if(null!=t&&null!=(s=t.get("pt")))t.get("type").equals("bond")&& +(p=JU.PT.rep(p,"_BOND","[{"+t.get("index")+"}]")),p=JU.PT.rep(p,"_POINT",JU.Escape.eP(s)),p=JU.PT.rep(p,"_OBJECT",JU.Escape.escapeMap(t));p=JU.PT.rep(p,"_BOND","[{}]");p=JU.PT.rep(p,"_OBJECT","{}")}p=JU.PT.rep(p,"_POINT","{}");p=JU.PT.rep(p,"_ACTION",""+a);p=JU.PT.rep(p,"_X",""+b);p=JU.PT.rep(p,"_Y",""+(this.vwr.getScreenHeight()-d));p=JU.PT.rep(p,"_DELTAX",""+c);p=JU.PT.rep(p,"_DELTAY",""+g);p=JU.PT.rep(p,"_TIME",""+e);p=JU.PT.rep(p,"_MODE",""+j);p.startsWith("+:")&&(h=!0,p=p.substring(2));this.vwr.evalStringQuiet(p)}return!h}, +"~N,~N,~N,~N,~N,~N,~N");c(c$,"checkMotionRotateZoom",function(a,b,d,c,g){b=this.bnd(a,[40])&&this.isZoomArea(this.pressed.x);var e=this.bnd(a,[25]),j=this.bnd(a,[29]);if(!b&&!e&&!j)return!1;a=(d=j&&(0==d||Math.abs(c)>5*Math.abs(d)))||this.isZoomArea(this.moved.x)||this.bnd(a,[46])?8:e||j?13:this.bnd(a,[1])?12:0;this.setMotion(a,g);return d||b},"~N,~N,~N,~N,~B");c(c$,"getExitRate",function(){var a=this.dragGesture.getTimeDifference(2);return this.isMultiTouch?8098*this.vwr.getScreenWidth()* +(this.vwr.tm.stereoDoubleFull||this.vwr.tm.stereoDoubleDTI?2:1)/100},"~N");c(c$,"getPoint",function(a){var b=new JU.Point3fi;b.setT(a.get("pt"));b.mi=a.get("modelIndex").intValue();return b},"java.util.Map");c(c$,"findNearestAtom",function(a,b,d,c){a=this.drawMode||null!=d?-1:this.vwr.findNearestAtomIndexMovable(a,b,!1);return 0<=a&&(c||null==this.mp)&&!this.vwr.slm.isInSelectionSubset(a)?-1:a},"~N,~N,JU.Point3fi,~B");c(c$,"isSelectAction",function(a){return this.bnd(a,[17])||!this.drawMode&&!this.labelMode&& +1==this.apm&&this.bnd(a,[1])||this.dragSelectedMode&&this.bnd(this.dragAction,[27,13])||this.bnd(a,[22,35,32,34,36,30])},"~N");c(c$,"enterMeasurementMode",function(a){this.vwr.setPicked(a,!0);this.vwr.setCursor(1);this.vwr.setPendingMeasurement(this.mp=this.getMP());this.measurementQueued=this.mp},"~N");c(c$,"getMP",function(){return J.api.Interface.getInterface("JM.MeasurementPending",this.vwr,"mouse").set(this.vwr.ms)});c(c$,"addToMeasurement",function(a,b,d){if(-1==a&&null==b||null==this.mp)return this.exitMeasurementMode(null), +0;var c=this.mp.count;-2147483648!=this.mp.traceX&&2==c&&this.mp.setCount(c=1);return 4==c&&!d?c:this.mp.addPoint(a,b,!0)},"~N,JU.Point3fi,~B");c(c$,"resetMeasurement",function(){this.exitMeasurementMode(null);this.measurementQueued=this.getMP()});c(c$,"exitMeasurementMode",function(a){null!=this.mp&&(this.vwr.setPendingMeasurement(this.mp=null),this.vwr.setCursor(0),null!=a&&this.vwr.refresh(3,a))},"~S");c(c$,"getSequence",function(){var a=this.measurementQueued.getAtomIndex(1),b=this.measurementQueued.getAtomIndex(2); +if(!(0>a||0>b))try{var d=this.vwr.getSmilesOpt(null,a,b,1048576,null);this.vwr.setStatusMeasuring("measureSequence",-2,d,0)}catch(c){if(D(c,Exception))JU.Logger.error(c.toString());else throw c;}});c(c$,"minimize",function(a){var b=this.dragAtomIndex;a&&(this.dragAtomIndex=-1,this.mkBondPressed=!1);this.vwr.dragMinimizeAtom(b)},"~B");c(c$,"queueAtom",function(a,b){var d=this.measurementQueued.addPoint(a,b,!0);0<=a&&this.vwr.setStatusAtomPicked(a,"Atom #"+d+":"+this.vwr.getAtomInfo(a),null,!1);return d}, +"~N,JU.Point3fi");c(c$,"setMotion",function(a,b){switch(this.vwr.currentCursor){case 3:break;default:this.vwr.setCursor(a)}b&&this.vwr.setInMotion(!0)},"~N,~B");c(c$,"zoomByFactor",function(a,b,d){0!=a&&(this.setMotion(8,!0),this.vwr.zoomByFactor(Math.pow(this.mouseWheelFactor,a),b,d),this.moved.setCurrent(this.current,0),this.vwr.setInMotion(!0),this.zoomTrigger=!0,this.startHoverWatcher(!0))},"~N,~N,~N");c(c$,"runScript",function(a){this.vwr.script(a)},"~S");c(c$,"atomOrPointPicked",function(a, +b){if(0>a){this.resetMeasurement();if(this.bnd(this.clickAction,[33])){this.runScript("select none");return}if(5!=this.apm&&6!=this.apm)return}var d=2;switch(this.apm){case 28:case 29:return;case 0:return;case 25:case 24:case 8:var d=8==this.apm,c=25==this.apm;if(!this.bnd(this.clickAction,[d?5:3]))return;if(null==this.measurementQueued||0==this.measurementQueued.count||2d)this.resetMeasurement(),this.enterMeasurementMode(a);this.addToMeasurement(a,b,!0);this.queueAtom(a,b);c=this.measurementQueued.count; +1==c&&this.vwr.setPicked(a,!0);if(cc?d?this.vwr.scriptStatus(1==c?J.i18n.GT.$("pick one more atom in order to spin the model around an axis"):J.i18n.GT.$("pick two atoms in order to spin the model around an axis")):this.vwr.scriptStatus(1==c?J.i18n.GT.$("pick one more atom in order to display the symmetry relationship"): +J.i18n.GT.$("pick two atoms in order to display the symmetry relationship between them")):(c=this.measurementQueued.getMeasurementScript(" ",!1),d?this.runScript("spin"+c+" "+this.vwr.getInt(553648157)):this.runScript("draw symop "+c+";show symop "+c))}},"JU.Point3fi,~N");c(c$,"reset",function(){this.runScript("!reset")});c(c$,"selectAtoms",function(a){if(!(null!=this.mp||this.selectionWorking)){this.selectionWorking=!0;var b=this.rubberbandSelectionMode||this.bnd(this.clickAction,[35])?"selected and not ("+ +a+") or (not selected) and ":this.bnd(this.clickAction,[32])?"selected and not ":this.bnd(this.clickAction,[34])?"selected or ":0==this.clickAction||this.bnd(this.clickAction,[36])?"selected tog ":this.bnd(this.clickAction,[30])?"":null;if(null!=b)try{var d=this.vwr.getAtomBitSetEval(null,b+("("+a+")"));this.setAtomsPicked(d,"selected: "+JU.Escape.eBS(d));this.vwr.refresh(3,"selections set")}catch(c){if(!D(c,Exception))throw c;}this.selectionWorking=!1}},"~S");c(c$,"setAtomsPicked",function(a,b){this.vwr.select(a, +!1,0,!1);this.vwr.setStatusAtomPicked(-1,b,null,!1)},"JU.BS,~S");c(c$,"selectRb",function(a){var b=this.vwr.ms.findAtomsInRectangle(this.rectRubber);0=a&&this.runScript("!measure "+this.mp.getMeasurementScript(" ",!0));this.exitMeasurementMode(null)}});c(c$,"zoomTo",function(a){this.runScript("zoomTo (atomindex="+a+")");this.vwr.setStatusAtomPicked(a,null,null,!1)},"~N");c(c$,"userActionEnabled",function(a){return this.vwr.isFunction(JV.ActionManager.getActionName(a).toLowerCase())},"~N");c(c$,"userAction",function(a,b){if(!this.userActionEnabled(a))return!1;var d=JS.ScriptEval.runUserAction(JV.ActionManager.getActionName(a), +b,this.vwr);return!JS.SV.vF.equals(d)},"~N,~A");G(c$);c$.actionInfo=c$.prototype.actionInfo=Array(47);c$.actionNames=c$.prototype.actionNames=Array(47);G(c$);JV.ActionManager.pickingModeNames="off identify label center draw spin symmetry deleteatom deletebond atom group chain molecule polymer structure site model element measure distance angle torsion sequence navigate connect struts dragselected dragmolecule dragatom dragminimize dragminimizemolecule invertstereo assignatom assignbond rotatebond identifybond dragligand dragmodel".$plit(" "); +G(c$,"pickingStyleNames",null);JV.ActionManager.pickingStyleNames="toggle selectOrToggle extendedSelect drag measure measureoff".$plit(" ");G(c$,"MAX_DOUBLE_CLICK_MILLIS",700,"MININUM_GESTURE_DELAY_MILLISECONDS",10,"SLIDE_ZOOM_X_PERCENT",98,"DEFAULT_MOUSE_DRAG_FACTOR",1,"DEFAULT_MOUSE_WHEEL_FACTOR",1.15,"DEFAULT_GESTURE_SWIPE_FACTOR",1,"XY_RANGE",10);c$=u(function(){this.time=this.y=this.x=this.index=0;t(this,arguments)},JV,"MotionPoint");c(c$,"set",function(a,b,d,c){this.index=a;this.x=b;this.y= +d;this.time=c},"~N,~N,~N,~N");h(c$,"toString",function(){return"[x = "+this.x+" y = "+this.y+" time = "+this.time+" ]"});c$=u(function(){this.action=0;this.nodes=null;this.time0=this.ptNext=0;this.vwr=null;t(this,arguments)},JV,"Gesture");p(c$,function(a,b){this.vwr=b;this.nodes=Array(a);for(var d=0;da)return 0;var b=this.getNode(this.ptNext-1);a=this.getNode(this.ptNext-a);return b.time-a.time},"~N");c(c$,"getSpeedPixelsPerMillisecond",function(a,b){a=this.getPointCount2(a,b);if(2>a)return 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this.fileName})});r("JV");x(null,"JV.ModelManager",["JM.ModelLoader"],function(){c$=v(function(){this.fileName=this.modelSetPathName=this.modelSet=this.vwr=null;s(this,arguments)},JV,"ModelManager");t(c$,function(a){this.vwr=a},"JV.Viewer");c(c$,"zap",function(){this.modelSetPathName=this.fileName=null;new JM.ModelLoader(this.vwr,this.vwr.getZapName(), -null,null,null,null)});c(c$,"createModelSet",function(a,b,d,c,g,f){var j=null;f?(j=this.modelSet.modelSetName,j.equals("zapped")?j=null:0>j.indexOf(" (modified)")&&(j+=" (modified)")):null==c?this.zap():(this.modelSetPathName=a,this.fileName=b);null!=c&&(null==j&&(j=this.vwr.getModelAdapter().getAtomSetCollectionName(c),null!=j&&(j=j.trim(),0==j.length&&(j=null)),null==j&&(j=JV.ModelManager.reduceFilename(b))),new JM.ModelLoader(this.vwr,j,d,c,f?this.modelSet:null,g));0==this.modelSet.ac&&!this.modelSet.getMSInfoB("isPyMOL")&& -this.zap()},"~S,~S,JU.SB,~O,JU.BS,~B");c$.reduceFilename=c(c$,"reduceFilename",function(a){if(null==a)return null;var b=a.indexOf(".");0b&&(this.x=a.x,this.y=a.y);this.modifiers=a.modifiers},"JV.MouseState,~N");c(c$,"inRange",function(a,b,d){return Math.abs(this.x-b)<=a&&Math.abs(this.y-d)<=a},"~N,~N,~N");c(c$,"check",function(a,b,d,c,g,f){return this.modifiers==c&&(2147483647<=f?this.inRange(a,b,d):g-this.timea?this.selectionChanged(!0):null!=this.bsSubset&&!this.bsSubset.get(a)||null!=this.bsDeleted&&this.bsDeleted.get(a)||(this.bsSelection.setBitTo(a,b),this.empty=b?0:-1)},"~N,~B");c(c$,"setSelectionSubset",function(a){this.bsSubset=a},"JU.BS");c(c$,"isInSelectionSubset",function(a){return 0>a||null==this.bsSubset||this.bsSubset.get(a)},"~N");c(c$,"invertSelection",function(){JU.BSUtil.invertInPlace(this.bsSelection,this.vwr.ms.ac);this.empty=0b;++b)if(null!=this.shapes[b]&&0<=this.shapes[b].getIndexFromName(a))return b;return-1},"~S");c(c$,"loadDefaultShapes",function(a){this.ms=a;if(null!=this.shapes)for(var b=0;bg;g++)null!=this.shapes[g]&&this.setShapePropertyBs(g,"refreshTrajectories",A(-1,[c,b,d]),a)},"~N,JU.BS,JU.M4");c(c$,"releaseShape",function(a){null!=this.shapes&&(this.shapes[a]=null)},"~N"); -c(c$,"resetShapes",function(){this.shapes=Array(37)});c(c$,"setShapeSizeBs",function(a,b,d,c){if(null!=this.shapes){if(null==c&&(1!=a||2147483647!=b))c=this.vwr.bsA();null!=d&&(0!=d.value&&d.vdwType===J.c.VDW.TEMP)&&this.ms.getBfactor100Lo();this.vwr.setShapeErrorState(a,"set size");(null==d?0!=b:0!=d.value)&&this.loadShape(a);null!=this.shapes[a]&&this.shapes[a].setShapeSizeRD(b,d,c);this.vwr.setShapeErrorState(-1,null)}},"~N,~N,J.atomdata.RadiusData,JU.BS");c(c$,"setLabel",function(a,b){if(null== -a){if(null==this.shapes[5])return}else this.loadShape(5),this.setShapeSizeBs(5,0,null,b);this.setShapePropertyBs(5,"label",a,b)},"~O,JU.BS");c(c$,"setShapePropertyBs",function(a,b,d,c){null==this.shapes||null==this.shapes[a]||(null==c&&(c=this.vwr.bsA()),this.vwr.setShapeErrorState(a,"set "+b),this.shapes[a].setProperty(b.intern(),d,c),this.vwr.setShapeErrorState(-1,null))},"~N,~S,~O,JU.BS");c(c$,"checkFrankclicked",function(a,b){var d=this.shapes[36];return null!=d&&d.wasClicked(a,b)},"~N,~N");c(c$, -"checkObjectClicked",function(a,b,d,c,g){var f,j=null;if(2==this.vwr.getPickingMode())return this.shapes[5].checkObjectClicked(a,b,d,c,!1);if(0!=d&&this.vwr.getBondsPickable()&&null!=(j=this.shapes[1].checkObjectClicked(a,b,d,c,!1)))return j;for(var h=0;hd;d++)null!=this.shapes[d]&& -this.setShapePropertyBs(d,"deleteModelAtoms",a,b)},"~A,JU.BS");c(c$,"deleteVdwDependentShapes",function(a){null==a&&(a=this.vwr.bsA());null!=this.shapes[24]&&this.shapes[24].setProperty("deleteVdw",null,a);null!=this.shapes[25]&&this.shapes[25].setProperty("deleteVdw",null,a)},"JU.BS");c(c$,"getAtomShapeValue",function(a,b,d){a=JV.JC.shapeTokenIndex(a);if(0>a||null==this.shapes[a])return 0;d=this.shapes[a].getSize(d);if(0==d){if(0==(b.shapeVisibilityFlags&this.shapes[a].vf))return 0;d=this.shapes[a].getSizeG(b)}return d/ -2E3},"~N,JM.Group,~N");c(c$,"replaceGroup",function(a,b){if(null!=this.shapes)for(var d=9;16>d;d++)null!=this.shapes[d]&&this.shapes[d].replaceGroup(a,b)},"JM.Group,JM.Group");c(c$,"getObjectMap",function(a,b){if(null!=this.shapes)for(var d=Boolean.$valueOf(b),c=16;30>c;++c)this.getShapePropertyData(c,"getNames",A(-1,[a,d]))},"java.util.Map,~B");c(c$,"getProperty",function(a){return a.equals("getShapes")?this.shapes:null},"~O");c(c$,"getShape",function(a){return null==this.shapes?null:this.shapes[a]}, -"~N");c(c$,"resetBioshapes",function(a){if(null!=this.shapes)for(var b=0;bd;d++)null!=a[d]&&a[d].setModelVisibilityFlags(b);var a=this.vwr.getBoolean(603979922),c=this.vwr.slm.bsDeleted,g=this.ms.at;this.ms.clearVisibleSets();if(0a;++a){var b= -this.shapes[a];null!=b&&b.setAtomClickability()}});c(c$,"finalizeAtoms",function(a,b){var d=this.vwr,c=d.tm;b&&d.finalizeTransformParameters();if(null!=a){var g=this.ms.getAtomSetCenter(a),f=new JU.P3;c.transformPt3f(g,f);f.add(c.ptOffset);c.unTransformPoint(f,f);f.sub(g);d.setAtomCoordsRelative(f,a);c.ptOffset.set(0,0,0);c.bsSelectedAtoms=null}g=this.bsRenderableAtoms;this.ms.getAtomsInFrame(g);var j=this.ms.vibrations,h=null!=j&&c.vibrationOn,l=null!=this.ms.bsModulated&&null!=this.ms.occupancies, -n=this.ms.at,m,p=!1,q=this.bsSlabbedInternal;q.clearAll();for(var u=g.nextSetBit(0);0<=u;u=g.nextSetBit(u+1)){var f=n[u],r=h&&f.hasVibration()?c.transformPtVib(f,j[u]):c.transformPt(f);1==r.z&&(c.internalSlab&&c.xyzIsSlabbedInternal(f))&&q.set(u);f.sX=r.x;f.sY=r.y;f.sZ=r.z;var s=Math.abs(f.madAtom);s==JM.Atom.MAD_GLOBAL&&(s=C(2E3*d.getFloat(1140850689)));f.sD=ca(d.tm.scaleToScreen(r.z,s));if(l&&null!=j[u]&&-2147483648!=(m=j[u].getOccupancy100(h)))p=!0,f.setShapeVisibility(2,!1),0<=m&&50>m?f.setShapeVisibility(24, -!1):f.setShapeVisibility(8|(0>1));r++,f++);if(r!=q.ac){f=q.firstAtomIndex;for(r=0;r>1:0)))f.setClickable(0),l=w((c?-1:1)*f.sD/2),(f.sZ+lh||!m.isInDisplayRange(f.sX,f.sY))&&g.clear(u)}if(0==this.ms.ac||!d.getShowNavigationPoint())return null;d=2147483647;m=-2147483648;c=2147483647;j=-2147483648;for(u=g.nextSetBit(0);0<=u;u=g.nextSetBit(u+1))f=n[u],f.sXm&&(m=f.sX),f.sYj&&(j=f.sY);this.navMinMax[0]=d;this.navMinMax[1]=m;this.navMinMax[2]=c;this.navMinMax[3]=j;return this.navMinMax},"JU.BS,~B"); -c(c$,"setModelSet",function(a){this.ms=this.vwr.ms=a},"JM.ModelSet");c(c$,"checkInheritedShapes",function(){null!=this.shapes[24]&&this.setShapePropertyBs(24,"remapInherited",null,null)});c(c$,"restrictSelected",function(a,b){var d=this.vwr.slm.getSelectedAtomsNoSubset();if(b){this.vwr.slm.invertSelection();var c=this.vwr.slm.bsSubset;null!=c&&(d=this.vwr.slm.getSelectedAtomsNoSubset(),d.and(c),this.vwr.select(d,!1,0,!0),JU.BSUtil.invertInPlace(d,this.vwr.ms.ac),d.and(c))}JU.BSUtil.andNot(d,this.vwr.slm.bsDeleted); -c=this.vwr.getBoolean(603979812);a||this.vwr.setBooleanProperty("bondModeOr",!0);this.setShapeSizeBs(1,0,null,null);this.setShapePropertyBs(1,"type",Integer.$valueOf(32768),null);this.setShapeSizeBs(1,0,null,null);this.setShapePropertyBs(1,"type",Integer.$valueOf(1023),null);for(var g=this.vwr.bsA(),f=21;0<=--f;)6!=f&&null!=this.getShape(f)&&this.setShapeSizeBs(f,0,null,g);null!=this.getShape(21)&&this.setShapePropertyBs(21,"off",g,null);this.setLabel(null,g);a||this.vwr.setBooleanProperty("bondModeOr", -c);this.vwr.select(d,!1,0,!0)},"~B,~B");F(c$,"hoverable",B(-1,[31,20,25,24,22,36]));c$.clickableMax=c$.prototype.clickableMax=JV.ShapeManager.hoverable.length-1});r("JV");x(["java.util.Hashtable"],["JV.Connection","$.Scene","$.StateManager","$.Connections"],["java.util.Arrays","JU.BS","$.SB","JM.Orientation","JU.BSUtil"],function(){c$=v(function(){this.saved=this.vwr=null;this.lastCoordinates=this.lastShape=this.lastState=this.lastSelected=this.lastScene=this.lastConnections=this.lastContext=this.lastOrientation= -"";s(this,arguments)},JV,"StateManager");O(c$,function(){this.saved=new java.util.Hashtable});c$.getVariableList=c(c$,"getVariableList",function(a,b,d,c){var g=new JU.SB,f=0,j=Array(a.size()),h;for(a=a.entrySet().iterator();a.hasNext()&&((h=a.next())||1);){var l=h.getKey(),n=h.getValue();if((d||!l.startsWith("site_"))&&(!c||"@"==l.charAt(0)))j[f++]=l+("@"==l.charAt(0)?" "+n.asString():" = "+JV.StateManager.varClip(l,n.escape(),b))}java.util.Arrays.sort(j,0,f);for(b=0;ba?a:w(a/11)},"~S");c$.getObjectNameFromId=c(c$,"getObjectNameFromId",function(a){return 0>a||7<=a?null:"background axis1 axis2 axis3 boundbox unitcell frank ".substring(11* -a,11*a+11).trim()},"~N");t(c$,function(a){this.vwr=a},"JV.Viewer");c(c$,"clear",function(a){this.vwr.setShowAxes(!1);this.vwr.setShowBbcage(!1);this.vwr.setShowUnitCell(!1);a.clear()},"JV.GlobalSettings");c(c$,"resetLighting",function(){this.vwr.setIntProperty("ambientPercent",45);this.vwr.setIntProperty("celShadingPower",10);this.vwr.setIntProperty("diffusePercent",84);this.vwr.setIntProperty("phongExponent",64);this.vwr.setIntProperty("specularExponent",6);this.vwr.setIntProperty("specularPercent", -22);this.vwr.setIntProperty("specularPower",40);this.vwr.setIntProperty("zDepth",0);this.vwr.setIntProperty("zShadePower",3);this.vwr.setIntProperty("zSlab",50);this.vwr.setBooleanProperty("specular",!0);this.vwr.setBooleanProperty("celShading",!1);this.vwr.setBooleanProperty("zshade",!1)});c(c$,"setCrystallographicDefaults",function(){this.vwr.setAxesMode(603979808);this.vwr.setShowAxes(!0);this.vwr.setShowUnitCell(!0);this.vwr.setBooleanProperty("perspectiveDepth",!1)});c(c$,"setCommonDefaults", -function(){this.vwr.setBooleanProperty("perspectiveDepth",!0);this.vwr.setFloatProperty("bondTolerance",0.45);this.vwr.setFloatProperty("minBondDistance",0.4);this.vwr.setIntProperty("bondingVersion",0);this.vwr.setBooleanProperty("translucent",!0)});c(c$,"setJmolDefaults",function(){this.setCommonDefaults();this.vwr.setStringProperty("defaultColorScheme","Jmol");this.vwr.setBooleanProperty("axesOrientationRasmol",!1);this.vwr.setBooleanProperty("zeroBasedXyzRasmol",!1);this.vwr.setIntProperty("percentVdwAtom", -23);this.vwr.setIntProperty("bondRadiusMilliAngstroms",150);this.vwr.setVdwStr("auto")});c(c$,"setRasMolDefaults",function(){this.setCommonDefaults();this.vwr.setStringProperty("defaultColorScheme","RasMol");this.vwr.setBooleanProperty("axesOrientationRasmol",!0);this.vwr.setBooleanProperty("zeroBasedXyzRasmol",!0);this.vwr.setIntProperty("percentVdwAtom",0);this.vwr.setIntProperty("bondRadiusMilliAngstroms",1);this.vwr.setVdwStr("Rasmol")});c(c$,"setPyMOLDefaults",function(){this.setCommonDefaults(); -this.vwr.setStringProperty("measurementUnits","ANGSTROMS");this.vwr.setBooleanProperty("zoomHeight",!0)});c$.getNoCase=c(c$,"getNoCase",function(a,b){for(var d,c=a.entrySet().iterator();c.hasNext()&&((d=c.next())||1);)if(d.getKey().equalsIgnoreCase(b))return d.getValue();return null},"java.util.Map,~S");c(c$,"listSavedStates",function(){for(var a="",b,d=this.saved.keySet().iterator();d.hasNext()&&((b=d.next())||1);)a+="\n"+b;return a});c(c$,"deleteSavedType",function(a){for(var b=this.saved.keySet().iterator();b.hasNext();)b.next().startsWith(a)&& -b.remove()},"~S");c(c$,"deleteSaved",function(a){for(var b=this.saved.keySet().iterator();b.hasNext();){var d=b.next();(d.startsWith(a)||d.endsWith("_"+a)&&d.indexOf("_")==d.lastIndexOf("_"+a))&&b.remove()}},"~S");c(c$,"saveSelection",function(a,b){a.equalsIgnoreCase("DELETE")?this.deleteSavedType("Selected_"):(a=this.lastSelected="Selected_"+a,this.saved.put(a,JU.BSUtil.copy(b)))},"~S,JU.BS");c(c$,"restoreSelection",function(a){a=JV.StateManager.getNoCase(this.saved,0 -d&&(b=b.substring(0,d)+" #...more ("+b.length+" bytes -- use SHOW "+a+" or MESSAGE @"+a+" to view)");return b},"~S,~S,~N");F(c$,"OBJ_BACKGROUND",0,"OBJ_AXIS1",1,"OBJ_AXIS2",2,"OBJ_AXIS3",3,"OBJ_BOUNDBOX",4,"OBJ_UNITCELL",5,"OBJ_FRANK",6,"OBJ_MAX",7,"objectNameList","background axis1 axis2 axis3 boundbox unitcell frank ");c$=v(function(){this.scene=this.saveName=null;s(this,arguments)},JV,"Scene");t(c$,function(a){this.scene=a},"java.util.Map");c(c$,"restore",function(a,b){var d= -this.scene.get("generator");null!=d&&d.generateScene(this.scene);d=this.scene.get("pymolView");return null!=d&&a.tm.moveToPyMOL(a.eval,b,d)},"JV.Viewer,~N");c$=v(function(){this.saveName=null;this.bondCount=0;this.vwr=this.connections=null;s(this,arguments)},JV,"Connections");t(c$,function(a){var b=a.ms;if(null!=b){this.vwr=a;this.bondCount=b.bondCount;this.connections=Array(this.bondCount+1);a=b.bo;for(b=this.bondCount;0<=--b;){var d=a[b];this.connections[b]=new JV.Connection(d.atom1.i,d.atom2.i, -d.mad,d.colix,d.order,d.getEnergy(),d.shapeVisibilityFlags)}}},"JV.Viewer");c(c$,"restore",function(){var a=this.vwr.ms;if(null==a)return!1;a.deleteAllBonds();for(var b=this.bondCount;0<=--b;){var d=this.connections[b],c=a.ac;d.atomIndex1>=c||d.atomIndex2>=c||(c=a.bondAtoms(a.at[d.atomIndex1],a.at[d.atomIndex2],d.order,d.mad,null,d.energy,!1,!0),c.colix=d.colix,c.shapeVisibilityFlags=d.shapeVisibilityFlags)}for(b=a.bondCount;0<=--b;)a.bo[b].index=b;this.vwr.setShapeProperty(1,"reportAll",null);return!0}); -c$=v(function(){this.shapeVisibilityFlags=this.energy=this.order=this.colix=this.mad=this.atomIndex2=this.atomIndex1=0;s(this,arguments)},JV,"Connection");t(c$,function(a,b,d,c,g,f,j){this.atomIndex1=a;this.atomIndex2=b;this.mad=d;this.colix=c;this.order=g;this.energy=f;this.shapeVisibilityFlags=j},"~N,~N,~N,~N,~N,~N,~N")});r("JV");x(["java.util.Hashtable"],"JV.StatusManager","java.lang.Boolean $.Float JU.Lst $.PT J.api.Interface J.c.CBK JS.SV JU.Logger JV.JC".split(" "),function(){c$=v(function(){this.cbl= -this.jsl=this.vwr=null;this.statusList="";this.allowStatusReporting=!1;this.messageQueue=null;this.statusPtr=0;this.imageMap=this.jmolScriptCallbacks=null;this.minSyncRepeatMs=100;this.stereoSync=this.syncDisabled=this.isSynced=this.drivingSync=this.syncingMouse=this.syncingScripts=!1;this.qualityPNG=this.qualityJPG=-1;this.audios=this.imageType=null;s(this,arguments)},JV,"StatusManager");O(c$,function(){this.messageQueue=new java.util.Hashtable;this.jmolScriptCallbacks=new java.util.Hashtable}); -t(c$,function(a){this.vwr=a},"JV.Viewer");c(c$,"recordStatus",function(a){return this.allowStatusReporting&&0d.length?"Jmol":3>d.length||d[2].equals("null")?d[1].substring(d[1].lastIndexOf("/")+1):d[2];d=this.jmolScriptCallback(J.c.CBK.IMAGE);this.notifyEnabled(J.c.CBK.IMAGE)&&this.cbl.notifyCallback(J.c.CBK.IMAGE,A(-1,[d,a,b]));if(Boolean.TRUE.equals(b)){if(null!=this.imageMap){for(var d=new JU.Lst,c,g=this.imageMap.keySet().iterator();g.hasNext()&&((c=g.next())||1);)d.addLast(c);for(c=d.size();0<=--c;)this.imageMap.get(d.get(c)).closeMe()}}else null==this.imageMap&& -(this.imageMap=new java.util.Hashtable),c=this.imageMap.get(a),Boolean.FALSE.equals(b)?null!=c&&c.closeMe():(null==c&&null!=b&&(c=this.vwr.apiPlatform.getImageDialog(a,this.imageMap)),null!=c&&(null==b?c.closeMe():c.setImage(b)))},"~S,~O");c(c$,"setFileLoadStatus",function(a,b,d,c,g,f,j){null==a&&"resetUndo".equals(b)&&(b=this.vwr.getProperty("DATA_API","getAppConsole",null),null!=b&&b.zap(),b=this.vwr.getZapName());this.setStatusChanged("fileLoaded",g,a,!1);null!=c&&this.setStatusChanged("fileLoadError", -g,c,!1);var h=this.jmolScriptCallback(J.c.CBK.LOADSTRUCT);f&&this.notifyEnabled(J.c.CBK.LOADSTRUCT)&&(f=this.vwr.getP("_smilesString"),0!=f.length&&(b=f),this.cbl.notifyCallback(J.c.CBK.LOADSTRUCT,A(-1,[h,a,b,d,c,Integer.$valueOf(g),this.vwr.getP("_modelNumber"),this.vwr.getModelNumberDotted(this.vwr.ms.mc-1),j])))},"~S,~S,~S,~S,~N,~B,Boolean");c(c$,"setStatusFrameChanged",function(a,b,d,c,g,f,j){if(null!=this.vwr.ms){var h=this.vwr.am.animationOn,l=h?-2-g:g;this.setStatusChanged("frameChanged",l, -0<=g?this.vwr.getModelNumberDotted(g):"",!1);var n=this.jmolScriptCallback(J.c.CBK.ANIMFRAME);this.notifyEnabled(J.c.CBK.ANIMFRAME)&&this.cbl.notifyCallback(J.c.CBK.ANIMFRAME,A(-1,[n,B(-1,[l,a,b,d,c,g]),j,Float.$valueOf(f)]));h||this.vwr.checkMenuUpdate()}},"~N,~N,~N,~N,~N,~N,~S");c(c$,"setStatusDragDropped",function(a,b,d,c){this.setStatusChanged("dragDrop",0,"",!1);var g=this.jmolScriptCallback(J.c.CBK.DRAGDROP);if(!this.notifyEnabled(J.c.CBK.DRAGDROP))return!1;this.cbl.notifyCallback(J.c.CBK.DRAGDROP, -A(-1,[g,Integer.$valueOf(a),Integer.$valueOf(b),Integer.$valueOf(d),c]));return!0},"~N,~N,~N,~S");c(c$,"setScriptEcho",function(a,b){if(null!=a){this.setStatusChanged("scriptEcho",0,a,!1);var d=this.jmolScriptCallback(J.c.CBK.ECHO);this.notifyEnabled(J.c.CBK.ECHO)&&this.cbl.notifyCallback(J.c.CBK.ECHO,A(-1,[d,a,Integer.$valueOf(b?1:0)]))}},"~S,~B");c(c$,"setStatusMeasuring",function(a,b,d,c){this.setStatusChanged(a,b,d,!1);var g=null;a.equals("measureCompleted")?(JU.Logger.info("measurement["+b+"] = "+ -d),g=this.jmolScriptCallback(J.c.CBK.MEASURE)):a.equals("measurePicked")&&(this.setStatusChanged("measurePicked",b,d,!1),JU.Logger.info("measurePicked "+b+" "+d));this.notifyEnabled(J.c.CBK.MEASURE)&&this.cbl.notifyCallback(J.c.CBK.MEASURE,A(-1,[g,d,Integer.$valueOf(b),a,Float.$valueOf(c)]))},"~S,~N,~S,~N");c(c$,"notifyError",function(a,b,d){var c=this.jmolScriptCallback(J.c.CBK.ERROR);this.notifyEnabled(J.c.CBK.ERROR)&&this.cbl.notifyCallback(J.c.CBK.ERROR,A(-1,[c,a,b,this.vwr.getShapeErrorState(), -d]))},"~S,~S,~S");c(c$,"notifyMinimizationStatus",function(a,b,d,c,g){var f=this.jmolScriptCallback(J.c.CBK.MINIMIZATION);this.notifyEnabled(J.c.CBK.MINIMIZATION)&&this.cbl.notifyCallback(J.c.CBK.MINIMIZATION,A(-1,[f,a,b,d,c,g]))},"~S,Integer,Float,Float,~S");c(c$,"setScriptStatus",function(a,b,d,c){if(-1>d)a=-2-d,this.setStatusChanged("scriptStarted",a,b,!1),a="script "+a+" started";else if(null==a)return;var g=0==d?this.jmolScriptCallback(J.c.CBK.SCRIPT):null,f="Script completed"===a;if(this.recordStatus("script")){var j= -null!=c;this.setStatusChanged(j?"scriptError":"scriptStatus",0,a,!1);if(j||f)this.setStatusChanged("scriptTerminated",1,"Jmol script terminated"+(j?" unsuccessfully: "+a:" successfully"),!1)}f&&(this.vwr.getBoolean(603979879)&&this.vwr.getBoolean(603979825))&&(a=this.vwr.getChimeMessenger().scriptCompleted(this,b,c));b=A(-1,[g,a,b,Integer.$valueOf(f?-1:d),c]);this.notifyEnabled(J.c.CBK.SCRIPT)&&this.cbl.notifyCallback(J.c.CBK.SCRIPT,b);this.processScript(b)},"~S,~S,~N,~S");c(c$,"processScript",function(a){var b= -a[3].intValue();this.vwr.notifyScriptEditor(b,a);0==b&&this.vwr.sendConsoleMessage(null==a[1]?null:a[1].toString())},"~A");c(c$,"doSync",function(){return this.isSynced&&this.drivingSync&&!this.syncDisabled});c(c$,"setSync",function(a){this.syncingMouse?null!=a&&this.syncSend(a,"*",0):this.syncingScripts||this.syncSend("!"+this.vwr.tm.getMoveToText(this.minSyncRepeatMs/1E3,!1),"*",0)},"~S");c(c$,"setSyncDriver",function(a){this.stereoSync&&4!=a&&(this.syncSend("SET_GRAPHICS_OFF","*",0),this.stereoSync= -!1);switch(a){case 4:if(!this.syncDisabled)return;this.syncDisabled=!1;break;case 3:this.syncDisabled=!0;break;case 5:this.stereoSync=this.isSynced=this.drivingSync=!0;break;case 1:this.isSynced=this.drivingSync=!0;break;case 2:this.drivingSync=!1;this.isSynced=!0;break;default:this.isSynced=this.drivingSync=!1}JU.Logger.debugging&&JU.Logger.debug(this.vwr.appletName+" sync mode="+a+"; synced? 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a},"java.util.Map");c(c$,"getSyncMode",function(){return!this.isSynced?0:this.drivingSync?1:2});c(c$,"showUrl",function(a){null!=this.jsl&&this.jsl.showUrl(a)},"~S");c(c$,"clearConsole",function(){this.vwr.sendConsoleMessage(null); -null!=this.jsl&&this.cbl.notifyCallback(J.c.CBK.MESSAGE,null)});c(c$,"functionXY",function(a,b,d){return null==this.jsl?K(Math.abs(b),Math.abs(d),0):this.jsl.functionXY(a,b,d)},"~S,~N,~N");c(c$,"functionXYZ",function(a,b,d,c){return null==this.jsl?K(Math.abs(b),Math.abs(d),Math.abs(d),0):this.jsl.functionXYZ(a,b,d,c)},"~S,~N,~N,~N");c(c$,"jsEval",function(a){return null==this.jsl?"":this.jsl.eval(a)},"~S");c(c$,"createImage",function(a,b,d,c,g){return null==this.jsl?null:this.jsl.createImage(a,b, -null==d?c:d,g)},"~S,~S,~S,~A,~N");c(c$,"getRegistryInfo",function(){return null==this.jsl?null:this.jsl.getRegistryInfo()});c(c$,"dialogAsk",function(a,b,d){var c=a.equals("Save 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this.fileName})});m("JV");x(null,"JV.ModelManager",["JM.ModelLoader"],function(){c$=u(function(){this.fileName=this.modelSetPathName=this.modelSet=this.vwr=null;t(this,arguments)},JV,"ModelManager");p(c$,function(a){this.vwr=a},"JV.Viewer");c(c$,"zap",function(){this.modelSetPathName= +this.fileName=null;new JM.ModelLoader(this.vwr,this.vwr.getZapName(),null,null,null,null)});c(c$,"createModelSet",function(a,b,d,c,g,e){var j=null;e?(j=this.modelSet.modelSetName,j.equals("zapped")?j=null:0>j.indexOf(" (modified)")&&(j+=" (modified)")):null==c?this.zap():(this.modelSetPathName=a,this.fileName=b);null!=c&&(null==j&&(j=this.vwr.getModelAdapter().getAtomSetCollectionName(c),null!=j&&(j=j.trim(),0==j.length&&(j=null)),null==j&&(j=JV.ModelManager.reduceFilename(b))),new JM.ModelLoader(this.vwr, +j,d,c,e?this.modelSet:null,g));0==this.modelSet.ac&&!this.modelSet.getMSInfoB("isPyMOL")&&this.zap()},"~S,~S,JU.SB,~O,JU.BS,~B");c$.reduceFilename=c(c$,"reduceFilename",function(a){if(null==a)return null;var b=a.indexOf(".");0b&&(this.x=a.x,this.y=a.y);this.modifiers=a.modifiers},"JV.MouseState,~N");c(c$,"inRange",function(a,b,d){return Math.abs(this.x-b)<=a&&Math.abs(this.y-d)<=a},"~N,~N,~N");c(c$,"check",function(a,b,d,c,g,e){return this.modifiers==c&&(2147483647<=e?this.inRange(a, +b,d):g-this.timea?this.selectionChanged(!0):null!=this.bsSubset&&!this.bsSubset.get(a)||null!=this.bsDeleted&&this.bsDeleted.get(a)||(this.bsSelection.setBitTo(a,b),this.empty=b?0:-1)},"~N,~B");c(c$,"setSelectionSubset",function(a){this.bsSubset=a},"JU.BS");c(c$,"isInSelectionSubset",function(a){return 0>a||null==this.bsSubset||this.bsSubset.get(a)},"~N");c(c$,"invertSelection",function(){JU.BSUtil.invertInPlace(this.bsSelection, +this.vwr.ms.ac);this.empty=0b;++b)if(null!=this.shapes[b]&&0<=this.shapes[b].getIndexFromName(a))return b;return null!=this.shapes[6]&&0<=this.shapes[6].getIndexFromName(a)?6:-1},"~S");c(c$,"loadDefaultShapes",function(a){this.ms=a;if(null!=this.shapes)for(var 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"+b),this.shapes[a].setProperty(b.intern(),d,c),this.vwr.setShapeErrorState(-1,null))},"~N,~S,~O,JU.BS");c(c$,"checkFrankclicked", +function(a,b){var d=this.shapes[36];return null!=d&&d.wasClicked(a,b)},"~N,~N");c(c$,"checkObjectClicked",function(a,b,d,c,g){var e,j=null;if(2==this.vwr.getPickingMode())return this.shapes[5].checkObjectClicked(a,b,d,c,!1);if(0!=d&&this.vwr.getBondsPickable()&&null!=(j=this.shapes[1].checkObjectClicked(a,b,d,c,!1)))return j;for(var h=0;hd;d++)null!=this.shapes[d]&&this.setShapePropertyBs(d,"deleteModelAtoms",a,b)},"~A,JU.BS");c(c$,"deleteVdwDependentShapes",function(a){null==a&&(a=this.vwr.bsA());null!=this.shapes[24]&&this.shapes[24].setProperty("deleteVdw",null,a);null!=this.shapes[25]&&this.shapes[25].setProperty("deleteVdw",null,a)},"JU.BS");c(c$,"getAtomShapeValue",function(a,b,d){a=JV.JC.shapeTokenIndex(a);if(0>a||null==this.shapes[a])return 0;d=this.shapes[a].getSize(d);if(0== +d){if(0==(b.shapeVisibilityFlags&this.shapes[a].vf))return 0;d=this.shapes[a].getSizeG(b)}return d/2E3},"~N,JM.Group,~N");c(c$,"replaceGroup",function(a,b){if(null!=this.shapes)for(var d=9;16>d;d++)null!=this.shapes[d]&&this.shapes[d].replaceGroup(a,b)},"JM.Group,JM.Group");c(c$,"getObjectMap",function(a,b){if(null!=this.shapes)for(var d=Boolean.$valueOf(b),c=16;30>c;++c)this.getShapePropertyData(c,"getNames",v(-1,[a,d]))},"java.util.Map,~B");c(c$,"getProperty",function(a){return a.equals("getShapes")? +this.shapes:null},"~O");c(c$,"getShape",function(a){return null==this.shapes?null:this.shapes[a]},"~N");c(c$,"resetBioshapes",function(a){if(null!=this.shapes)for(var b=0;bd;d++)null!=a[d]&&a[d].setModelVisibilityFlags(b);var a=this.vwr.getBoolean(603979922),c=this.vwr.slm.bsDeleted,g=this.ms.at;this.ms.clearVisibleSets();if(0a;++a){var b=this.shapes[a];null!=b&&b.setAtomClickability()}});c(c$,"finalizeAtoms",function(a,b){var d=this.vwr,c=d.tm;b&&d.finalizeTransformParameters();if(null!=a){var g=this.ms.getAtomSetCenter(a),e=new JU.P3;c.transformPt3f(g,e);e.add(c.ptOffset);c.unTransformPoint(e,e);e.sub(g);d.setAtomCoordsRelative(e,a);c.ptOffset.set(0,0,0);c.bsSelectedAtoms=null}g=this.bsRenderableAtoms;this.ms.getAtomsInFrame(g); +var j=this.ms.vibrations,h=null!=j&&c.vibrationOn,l=null!=this.ms.bsModulated&&null!=this.ms.occupancies,r=this.ms.at,n,q=!1,p=this.bsSlabbedInternal;p.clearAll();for(var m=g.nextSetBit(0);0<=m;m=g.nextSetBit(m+1)){var e=r[m],s=h&&e.hasVibration()?c.transformPtVib(e,j[m]):c.transformPt(e);1==s.z&&(c.internalSlab&&c.xyzIsSlabbedInternal(e))&&p.set(m);e.sX=s.x;e.sY=s.y;e.sZ=s.z;var t=Math.abs(e.madAtom);t==JM.Atom.MAD_GLOBAL&&(t=C(2E3*d.getFloat(1140850689)));e.sD=ea(d.tm.scaleToScreen(s.z,t));if(l&& +null!=j[m]&&-2147483648!=(n=j[m].getOccupancy100(h)))q=!0,e.setShapeVisibility(2,!1),0<=n&&50>n?e.setShapeVisibility(24,!1):e.setShapeVisibility(8|(0> +1));s++,e++);if(s!=p.ac){e=p.firstAtomIndex;for(s=0;s>1:0)))e.setClickable(0),l=w((c?-1:1)*e.sD/2),(e.sZ+lh||!n.isInDisplayRange(e.sX,e.sY))&&g.clear(m)}if(0==this.ms.ac||!d.getShowNavigationPoint())return null;d=2147483647;n=-2147483648;c=2147483647;j=-2147483648;for(m=g.nextSetBit(0);0<=m;m=g.nextSetBit(m+1))e=r[m],e.sXn&&(n=e.sX),e.sYj&&(j=e.sY);this.navMinMax[0]=d;this.navMinMax[1]=n;this.navMinMax[2]=c;this.navMinMax[3]=j;return this.navMinMax},"JU.BS,~B");c(c$,"setModelSet",function(a){this.ms=this.vwr.ms=a},"JM.ModelSet");c(c$,"checkInheritedShapes",function(){null!=this.shapes[24]&&this.setShapePropertyBs(24,"remapInherited",null,null)});c(c$,"restrictSelected",function(a,b){var d=this.vwr.slm.getSelectedAtomsNoSubset();if(b){this.vwr.slm.invertSelection();var c=this.vwr.slm.bsSubset;null!=c&&(d=this.vwr.slm.getSelectedAtomsNoSubset(), +d.and(c),this.vwr.select(d,!1,0,!0),JU.BSUtil.invertInPlace(d,this.vwr.ms.ac),d.and(c))}JU.BSUtil.andNot(d,this.vwr.slm.bsDeleted);c=this.vwr.getBoolean(603979812);a||this.vwr.setBooleanProperty("bondModeOr",!0);this.setShapeSizeBs(1,0,null,null);this.setShapePropertyBs(1,"type",Integer.$valueOf(32768),null);this.setShapeSizeBs(1,0,null,null);this.setShapePropertyBs(1,"type",Integer.$valueOf(1023),null);for(var g=this.vwr.bsA(),e=21;0<=--e;)6!=e&&null!=this.getShape(e)&&this.setShapeSizeBs(e,0,null, +g);null!=this.getShape(21)&&this.setShapePropertyBs(21,"off",g,null);this.setLabel(null,g);a||this.vwr.setBooleanProperty("bondModeOr",c);this.vwr.select(d,!1,0,!0)},"~B,~B");G(c$,"hoverable",A(-1,[31,20,25,24,22,36]));c$.clickableMax=c$.prototype.clickableMax=JV.ShapeManager.hoverable.length-1});m("JV");x(["java.util.Hashtable"],["JV.Connection","$.Scene","$.StateManager","$.Connections"],["java.util.Arrays","JU.BS","$.SB","JM.Orientation","JU.BSUtil"],function(){c$=u(function(){this.saved=this.vwr= +null;this.lastCoordinates=this.lastShape=this.lastState=this.lastSelected=this.lastScene=this.lastConnections=this.lastContext=this.lastOrientation="";t(this,arguments)},JV,"StateManager");O(c$,function(){this.saved=new java.util.Hashtable});c$.getVariableList=c(c$,"getVariableList",function(a,b,d,c){var g=new JU.SB,e=0,j=Array(a.size()),h;for(a=a.entrySet().iterator();a.hasNext()&&((h=a.next())||1);){var l=h.getKey(),r=h.getValue();if((d||!l.startsWith("site_"))&&(!c||"@"==l.charAt(0)))j[e++]=l+ +("@"==l.charAt(0)?" "+r.asString():" = "+JV.StateManager.varClip(l,r.escape(),b))}java.util.Arrays.sort(j,0,e);for(b=0;ba?a:w(a/11)}, +"~S");c$.getObjectNameFromId=c(c$,"getObjectNameFromId",function(a){return 0>a||7<=a?null:"background axis1 axis2 axis3 boundbox unitcell frank ".substring(11*a,11*a+11).trim()},"~N");p(c$,function(a){this.vwr=a},"JV.Viewer");c(c$,"clear",function(a){this.vwr.setShowAxes(!1);this.vwr.setShowBbcage(!1);this.vwr.setShowUnitCell(!1);a.clear()},"JV.GlobalSettings");c(c$,"resetLighting",function(){this.vwr.setIntProperty("ambientPercent",45);this.vwr.setIntProperty("celShadingPower", +10);this.vwr.setIntProperty("diffusePercent",84);this.vwr.setIntProperty("phongExponent",64);this.vwr.setIntProperty("specularExponent",6);this.vwr.setIntProperty("specularPercent",22);this.vwr.setIntProperty("specularPower",40);this.vwr.setIntProperty("zDepth",0);this.vwr.setIntProperty("zShadePower",3);this.vwr.setIntProperty("zSlab",50);this.vwr.setBooleanProperty("specular",!0);this.vwr.setBooleanProperty("celShading",!1);this.vwr.setBooleanProperty("zshade",!1)});c(c$,"setCrystallographicDefaults", +function(){this.vwr.setAxesMode(603979808);this.vwr.setShowAxes(!0);this.vwr.setShowUnitCell(!0);this.vwr.setBooleanProperty("perspectiveDepth",!1)});c(c$,"setCommonDefaults",function(){this.vwr.setBooleanProperty("perspectiveDepth",!0);this.vwr.setFloatProperty("bondTolerance",0.45);this.vwr.setFloatProperty("minBondDistance",0.4);this.vwr.setIntProperty("bondingVersion",0);this.vwr.setBooleanProperty("translucent",!0)});c(c$,"setJmolDefaults",function(){this.setCommonDefaults();this.vwr.setStringProperty("defaultColorScheme", +"Jmol");this.vwr.setBooleanProperty("axesOrientationRasmol",!1);this.vwr.setBooleanProperty("zeroBasedXyzRasmol",!1);this.vwr.setIntProperty("percentVdwAtom",23);this.vwr.setIntProperty("bondRadiusMilliAngstroms",150);this.vwr.setVdwStr("auto")});c(c$,"setRasMolDefaults",function(){this.setCommonDefaults();this.vwr.setStringProperty("defaultColorScheme","RasMol");this.vwr.setBooleanProperty("axesOrientationRasmol",!0);this.vwr.setBooleanProperty("zeroBasedXyzRasmol",!0);this.vwr.setIntProperty("percentVdwAtom", +0);this.vwr.setIntProperty("bondRadiusMilliAngstroms",1);this.vwr.setVdwStr("Rasmol")});c(c$,"setPyMOLDefaults",function(){this.setCommonDefaults();this.vwr.setStringProperty("measurementUnits","ANGSTROMS");this.vwr.setBooleanProperty("zoomHeight",!0)});c$.getNoCase=c(c$,"getNoCase",function(a,b){for(var d,c=a.entrySet().iterator();c.hasNext()&&((d=c.next())||1);)if(d.getKey().equalsIgnoreCase(b))return d.getValue();return null},"java.util.Map,~S");c(c$,"listSavedStates",function(){for(var a="",b, +d=this.saved.keySet().iterator();d.hasNext()&&((b=d.next())||1);)a+="\n"+b;return a});c(c$,"deleteSavedType",function(a){for(var b=this.saved.keySet().iterator();b.hasNext();)b.next().startsWith(a)&&b.remove()},"~S");c(c$,"deleteSaved",function(a){for(var b=this.saved.keySet().iterator();b.hasNext();){var d=b.next();(d.startsWith(a)||d.endsWith("_"+a)&&d.indexOf("_")==d.lastIndexOf("_"+a))&&b.remove()}},"~S");c(c$,"saveSelection",function(a,b){a.equalsIgnoreCase("DELETE")?this.deleteSavedType("Selected_"): +(a=this.lastSelected="Selected_"+a,this.saved.put(a,JU.BSUtil.copy(b)))},"~S,JU.BS");c(c$,"restoreSelection",function(a){a=JV.StateManager.getNoCase(this.saved,0d&&(b=b.substring(0,d)+" #...more ("+b.length+" bytes -- use SHOW "+a+" or MESSAGE @"+a+" to view)");return b},"~S,~S,~N");G(c$,"OBJ_BACKGROUND",0,"OBJ_AXIS1",1,"OBJ_AXIS2",2,"OBJ_AXIS3",3,"OBJ_BOUNDBOX",4,"OBJ_UNITCELL",5,"OBJ_FRANK",6,"OBJ_MAX",7,"objectNameList","background axis1 axis2 axis3 boundbox unitcell frank "); +c$=u(function(){this.scene=this.saveName=null;t(this,arguments)},JV,"Scene");p(c$,function(a){this.scene=a},"java.util.Map");c(c$,"restore",function(a,b){var d=this.scene.get("generator");null!=d&&d.generateScene(this.scene);d=this.scene.get("pymolView");return null!=d&&a.tm.moveToPyMOL(a.eval,b,d)},"JV.Viewer,~N");c$=u(function(){this.saveName=null;this.bondCount=0;this.vwr=this.connections=null;t(this,arguments)},JV,"Connections");p(c$,function(a){var b=a.ms;if(null!=b){this.vwr=a;this.bondCount= +b.bondCount;this.connections=Array(this.bondCount+1);a=b.bo;for(b=this.bondCount;0<=--b;){var d=a[b];this.connections[b]=new JV.Connection(d.atom1.i,d.atom2.i,d.mad,d.colix,d.order,d.getEnergy(),d.shapeVisibilityFlags)}}},"JV.Viewer");c(c$,"restore",function(){var a=this.vwr.ms;if(null==a)return!1;a.deleteAllBonds();for(var b=this.bondCount;0<=--b;){var d=this.connections[b],c=a.ac;d.atomIndex1>=c||d.atomIndex2>=c||(c=a.bondAtoms(a.at[d.atomIndex1],a.at[d.atomIndex2],d.order,d.mad,null,d.energy,!1, +!0),c.colix=d.colix,c.shapeVisibilityFlags=d.shapeVisibilityFlags)}for(b=a.bondCount;0<=--b;)a.bo[b].index=b;this.vwr.setShapeProperty(1,"reportAll",null);return!0});c$=u(function(){this.shapeVisibilityFlags=this.energy=this.order=this.colix=this.mad=this.atomIndex2=this.atomIndex1=0;t(this,arguments)},JV,"Connection");p(c$,function(a,b,d,c,g,e,j){this.atomIndex1=a;this.atomIndex2=b;this.mad=d;this.colix=c;this.order=g;this.energy=e;this.shapeVisibilityFlags=j},"~N,~N,~N,~N,~N,~N,~N")});m("JV");x(["java.util.Hashtable"], +"JV.StatusManager","java.lang.Boolean $.Float JU.Lst $.PT J.api.Interface J.c.CBK JS.SV JU.Logger JV.JC".split(" "),function(){c$=u(function(){this.cbl=this.jsl=this.vwr=null;this.statusList="";this.allowStatusReporting=!1;this.messageQueue=null;this.statusPtr=0;this.imageMap=this.jmolScriptCallbacks=null;this.minSyncRepeatMs=100;this.stereoSync=this.syncDisabled=this.isSynced=this.drivingSync=this.syncingMouse=this.syncingScripts=!1;this.qualityPNG=this.qualityJPG=-1;this.audios=this.imageType=null; +t(this,arguments)},JV,"StatusManager");O(c$,function(){this.messageQueue=new java.util.Hashtable;this.jmolScriptCallbacks=new java.util.Hashtable});p(c$,function(a){this.vwr=a},"JV.Viewer");c(c$,"recordStatus",function(a){return this.allowStatusReporting&&0d.length?"Jmol":3>d.length||d[2].equals("null")?d[1].substring(d[1].lastIndexOf("/")+1):d[2];d=this.jmolScriptCallback(J.c.CBK.IMAGE);this.notifyEnabled(J.c.CBK.IMAGE)&&this.cbl.notifyCallback(J.c.CBK.IMAGE,v(-1,[d,a,b]));if(Boolean.TRUE.equals(b)){if(null!=this.imageMap){for(var d=new JU.Lst, +c,g=this.imageMap.keySet().iterator();g.hasNext()&&((c=g.next())||1);)d.addLast(c);for(c=d.size();0<=--c;)this.imageMap.get(d.get(c)).closeMe()}}else null==this.imageMap&&(this.imageMap=new java.util.Hashtable),c=this.imageMap.get(a),Boolean.FALSE.equals(b)?null!=c&&c.closeMe():(null==c&&null!=b&&(c=this.vwr.apiPlatform.getImageDialog(a,this.imageMap)),null!=c&&(null==b?c.closeMe():c.setImage(b)))},"~S,~O");c(c$,"setFileLoadStatus",function(a,b,d,c,g,e,j){null==a&&"resetUndo".equals(b)&&(b=this.vwr.getProperty("DATA_API", +"getAppConsole",null),null!=b&&b.zap(),b=this.vwr.getZapName());this.setStatusChanged("fileLoaded",g,a,!1);null!=c&&this.setStatusChanged("fileLoadError",g,c,!1);var h=this.jmolScriptCallback(J.c.CBK.LOADSTRUCT);e&&this.notifyEnabled(J.c.CBK.LOADSTRUCT)&&(e=this.vwr.getP("_smilesString"),0!=e.length&&(b=e),this.cbl.notifyCallback(J.c.CBK.LOADSTRUCT,v(-1,[h,a,b,d,c,Integer.$valueOf(g),this.vwr.getP("_modelNumber"),this.vwr.getModelNumberDotted(this.vwr.ms.mc-1),j])))},"~S,~S,~S,~S,~N,~B,Boolean"); +c(c$,"setStatusModelKit",function(a){var b=1==a?"ON":"OFF";this.setStatusChanged("modelkit",a,b,!1);a=this.jmolScriptCallback(J.c.CBK.MODELKIT);this.notifyEnabled(J.c.CBK.MODELKIT)&&this.cbl.notifyCallback(J.c.CBK.MODELKIT,v(-1,[a,b]))},"~N");c(c$,"setStatusFrameChanged",function(a,b,d,c,g,e,j){if(null!=this.vwr.ms){var h=this.vwr.am.animationOn,l=h?-2-g:g;this.setStatusChanged("frameChanged",l,0<=g?this.vwr.getModelNumberDotted(g):"",!1);var r=this.jmolScriptCallback(J.c.CBK.ANIMFRAME);this.notifyEnabled(J.c.CBK.ANIMFRAME)&& +this.cbl.notifyCallback(J.c.CBK.ANIMFRAME,v(-1,[r,A(-1,[l,a,b,d,c,g]),j,Float.$valueOf(e)]));h||this.vwr.checkMenuUpdate()}},"~N,~N,~N,~N,~N,~N,~S");c(c$,"setStatusDragDropped",function(a,b,d,c){this.setStatusChanged("dragDrop",0,"",!1);var g=this.jmolScriptCallback(J.c.CBK.DRAGDROP);if(!this.notifyEnabled(J.c.CBK.DRAGDROP))return!1;this.cbl.notifyCallback(J.c.CBK.DRAGDROP,v(-1,[g,Integer.$valueOf(a),Integer.$valueOf(b),Integer.$valueOf(d),c]));return!0},"~N,~N,~N,~S");c(c$,"setScriptEcho",function(a, +b){if(null!=a){this.setStatusChanged("scriptEcho",0,a,!1);var d=this.jmolScriptCallback(J.c.CBK.ECHO);this.notifyEnabled(J.c.CBK.ECHO)&&this.cbl.notifyCallback(J.c.CBK.ECHO,v(-1,[d,a,Integer.$valueOf(b?1:0)]))}},"~S,~B");c(c$,"setStatusMeasuring",function(a,b,d,c){this.setStatusChanged(a,b,d,!1);var g=null;a.equals("measureCompleted")?(JU.Logger.info("measurement["+b+"] = "+d),g=this.jmolScriptCallback(J.c.CBK.MEASURE)):a.equals("measurePicked")&&(this.setStatusChanged("measurePicked",b,d,!1),JU.Logger.info("measurePicked "+ +b+" "+d));this.notifyEnabled(J.c.CBK.MEASURE)&&this.cbl.notifyCallback(J.c.CBK.MEASURE,v(-1,[g,d,Integer.$valueOf(b),a,Float.$valueOf(c)]))},"~S,~N,~S,~N");c(c$,"notifyError",function(a,b,d){var c=this.jmolScriptCallback(J.c.CBK.ERROR);this.notifyEnabled(J.c.CBK.ERROR)&&this.cbl.notifyCallback(J.c.CBK.ERROR,v(-1,[c,a,b,this.vwr.getShapeErrorState(),d]))},"~S,~S,~S");c(c$,"notifyMinimizationStatus",function(a,b,d,c,g){var e=this.jmolScriptCallback(J.c.CBK.MINIMIZATION);this.notifyEnabled(J.c.CBK.MINIMIZATION)&& +this.cbl.notifyCallback(J.c.CBK.MINIMIZATION,v(-1,[e,a,b,d,c,g]))},"~S,Integer,Float,Float,~S");c(c$,"setScriptStatus",function(a,b,d,c){if(-1>d)a=-2-d,this.setStatusChanged("scriptStarted",a,b,!1),a="script "+a+" started";else if(null==a)return;var g=0==d?this.jmolScriptCallback(J.c.CBK.SCRIPT):null,e="Script completed"===a;if(this.recordStatus("script")){var j=null!=c;this.setStatusChanged(j?"scriptError":"scriptStatus",0,a,!1);if(j||e)this.setStatusChanged("scriptTerminated",1,"Jmol script terminated"+ +(j?" unsuccessfully: "+a:" successfully"),!1)}e&&(this.vwr.getBoolean(603979879)&&this.vwr.getBoolean(603979825))&&(a=this.vwr.getChimeMessenger().scriptCompleted(this,b,c));b=v(-1,[g,a,b,Integer.$valueOf(e?-1:d),c]);this.notifyEnabled(J.c.CBK.SCRIPT)&&this.cbl.notifyCallback(J.c.CBK.SCRIPT,b);this.processScript(b)},"~S,~S,~N,~S");c(c$,"processScript",function(a){var b=a[3].intValue();this.vwr.notifyScriptEditor(b,a);0==b&&this.vwr.sendConsoleMessage(null==a[1]?null:a[1].toString())},"~A");c(c$,"doSync", +function(){return this.isSynced&&this.drivingSync&&!this.syncDisabled});c(c$,"setSync",function(a){this.syncingMouse?null!=a&&this.syncSend(a,"*",0):this.syncingScripts||this.syncSend("!"+this.vwr.tm.getMoveToText(this.minSyncRepeatMs/1E3,!1),"*",0)},"~S");c(c$,"setSyncDriver",function(a){this.stereoSync&&4!=a&&(this.syncSend("SET_GRAPHICS_OFF","*",0),this.stereoSync=!1);switch(a){case 4:if(!this.syncDisabled)return;this.syncDisabled=!1;break;case 3:this.syncDisabled=!0;break;case 5:this.stereoSync= +this.isSynced=this.drivingSync=!0;break;case 1:this.isSynced=this.drivingSync=!0;break;case 2:this.drivingSync=!1;this.isSynced=!0;break;default:this.isSynced=this.drivingSync=!1}JU.Logger.debugging&&JU.Logger.debug(this.vwr.appletName+" sync mode="+a+"; synced? "+this.isSynced+"; driving? "+this.drivingSync+"; disabled? "+this.syncDisabled)},"~N");c(c$,"syncSend",function(a,b,d){return 0!=d||this.notifyEnabled(J.c.CBK.SYNC)?(a=v(-1,[null,a,b,Integer.$valueOf(d)]),null!=this.cbl&&this.cbl.notifyCallback(J.c.CBK.SYNC, +a),a[0]):null},"~S,~O,~N");c(c$,"modifySend",function(a,b,d,c){var g=this.jmolScriptCallback(J.c.CBK.STRUCTUREMODIFIED);this.notifyEnabled(J.c.CBK.STRUCTUREMODIFIED)&&this.cbl.notifyCallback(J.c.CBK.STRUCTUREMODIFIED,v(-1,[g,Integer.$valueOf(d),Integer.$valueOf(a),Integer.$valueOf(b),c]))},"~N,~N,~N,~S");c(c$,"processService",function(a){var b=a.get("service");if(null==b)return null;if(s(b,JS.SV)){var b=new java.util.Hashtable,d;for(a=a.entrySet().iterator();a.hasNext()&&((d=a.next())||1);)b.put(d.getKey(), +JS.SV.oValue(d.getValue()));a=b}this.notifyEnabled(J.c.CBK.SERVICE)&&this.cbl.notifyCallback(J.c.CBK.SERVICE,v(-1,[null,a]));return a},"java.util.Map");c(c$,"getSyncMode",function(){return!this.isSynced?0:this.drivingSync?1:2});c(c$,"showUrl",function(a){null!=this.jsl&&this.jsl.showUrl(a)},"~S");c(c$,"clearConsole",function(){this.vwr.sendConsoleMessage(null);null!=this.jsl&&this.cbl.notifyCallback(J.c.CBK.MESSAGE,null)});c(c$,"functionXY",function(a,b,d){return null==this.jsl?K(Math.abs(b),Math.abs(d), +0):this.jsl.functionXY(a,b,d)},"~S,~N,~N");c(c$,"functionXYZ",function(a,b,d,c){return null==this.jsl?K(Math.abs(b),Math.abs(d),Math.abs(d),0):this.jsl.functionXYZ(a,b,d,c)},"~S,~N,~N,~N");c(c$,"jsEval",function(a){return null==this.jsl?"":this.jsl.eval(a)},"~S");c(c$,"createImage",function(a,b,d,c,g){return null==this.jsl?null:this.jsl.createImage(a,b,null==d?c:d,g)},"~S,~S,~S,~A,~N");c(c$,"getRegistryInfo",function(){return null==this.jsl?null:this.jsl.getRegistryInfo()});c(c$,"dialogAsk",function(a, +b,d){var c=a.equals("Save Image"),g=J.api.Interface.getOption("dialog.Dialog",this.vwr,"status");if(null==g)return null;g.setupUI(!1);c&&g.setImageInfo(this.qualityJPG,this.qualityPNG,this.imageType);a=g.getFileNameFromDialog(this.vwr,a,b);c&&null!=a&&(this.qualityJPG=g.getQuality("JPG"),this.qualityPNG=g.getQuality("PNG"),c=g.getType(),null!=d&&(d.put("qualityJPG",Integer.$valueOf(this.qualityJPG)),d.put("qualityPNG",Integer.$valueOf(this.qualityPNG)),null!=c&&d.put("dialogImageType",c)),null!=c&& +(this.imageType=c));return a},"~S,~S,java.util.Map");c(c$,"getJspecViewProperties",function(a){return null==this.jsl?null:this.jsl.getJSpecViewProperty(null==a||0==a.length?"":":"+a)},"~S");c(c$,"resizeInnerPanel",function(a,b){return null==this.jsl||a==this.vwr.getScreenWidth()&&b==this.vwr.getScreenHeight()?A(-1,[a,b]):this.jsl.resizeInnerPanel("preferredWidthHeight "+a+" "+b+";")},"~N,~N");c(c$,"resizeInnerPanelString",function(a){null!=this.jsl&&this.jsl.resizeInnerPanel(a)},"~S");c(c$,"registerAudio", +function(a,b){this.stopAudio(a);null==this.audios&&(this.audios=new java.util.Hashtable);null==b?this.audios.remove(a):this.audios.put(a,b.get("audioPlayer"))},"~S,java.util.Map");c(c$,"stopAudio",function(a){null!=this.audios&&(a=this.audios.get(a),null!=a&&a.action("kill"))},"~S");c(c$,"playAudio",function(a){if(this.vwr.getBoolean(603979797))try{var b=null==a?"close":a.get("action"),d=null==a?null:a.get("id");if(null!=b&&0n.length())&&(j?Float.isNaN(c)||0==c:0==g))return!1;var u=null;null==p&&(u=JU.V3.newVsub(d,b),f&&u.scale(-1),this.internalRotationCenter.setT(b),this.rotationAxis.setT(u),this.internalTranslation=null==n?null:JU.V3.newV(n));b=null!=h;if(j)return null==p?(0==g&&(g=NaN),Float.isNaN(g)?this.rotationRate= -c:(q=w(Math.abs(g)/Math.abs(c)*this.spinFps+0.5),this.rotationRate=g/q*this.spinFps,null!=n&&this.internalTranslation.scale(1/q)),this.internalRotationAxis.setVA(u,0.017453292*(Float.isNaN(this.rotationRate)?0:this.rotationRate)),this.isSpinInternal=!0,this.isSpinFixed=!1,this.isSpinSelected=b):g=c,this.setSpin(a,!0,g,m,p,h,l),!Float.isNaN(g);a=0.017453292*g;this.internalRotationAxis.setVA(u,a);this.rotateAxisAngleRadiansInternal(a,h,q);return!1},"J.api.JmolScriptEvaluator,JU.T3,JU.T3,~N,~N,~B,~B,JU.BS,~B,JU.V3,JU.Lst,~A,JU.M4"); +null,!1,null)},"~N");c(c$,"rotateAxisAngle",function(a,b){this.axisangleT.setVA(a,b);this.rotateAxisAngle2(this.axisangleT,null)},"JU.V3,~N");c(c$,"rotateAxisAngle2",function(a,b){this.applyRotation(this.matrixTemp3.setAA(a),!1,b,null,!1,null)},"JU.A4,JU.BS");c(c$,"rotateAxisAngleAtCenter",function(a,b,d,c,g,e,j){null!=b&&this.moveRotationCenter(b,!0);e&&this.setSpinOff();this.setNavOn(!1);if(this.vwr.headless){if(e&&3.4028235E38==g)return!1;e=!1}if(Float.isNaN(c)||0==c||0==g)return!1;null!=b&&this.setRotationPointXY(b); +this.setFixedRotationCenter(b);this.rotationAxis.setT(d);this.rotationRate=c;if(e)return this.fixedRotationAxis.setVA(d,0.017453292*c),this.isSpinInternal=!1,this.isSpinFixed=!0,this.isSpinSelected=null!=j,this.setSpin(a,!0,g,null,null,j,!1),3.4028235E38!=g;a=0.017453292*g;this.fixedRotationAxis.setVA(d,g);this.rotateAxisAngleRadiansFixed(a,j);return!0},"J.api.JmolScriptEvaluator,JU.P3,JU.V3,~N,~N,~B,JU.BS");c(c$,"rotateAxisAngleRadiansFixed",function(a,b){this.axisangleT.setAA(this.fixedRotationAxis); +this.axisangleT.angle=a;this.rotateAxisAngle2(this.axisangleT,b)},"~N,JU.BS");c(c$,"rotateAboutPointsInternal",function(a,b,d,c,g,e,j,h,l,r,n,q,m){j&&this.setSpinOff();this.setNavOn(!1);if(null==q&&(null==r||0.001>r.length())&&(j?Float.isNaN(c)||0==c:0==g))return!1;var p=null;null==q&&(p=JU.V3.newVsub(d,b),e&&p.scale(-1),this.internalRotationCenter.setT(b),this.rotationAxis.setT(p),this.internalTranslation=null==r?null:JU.V3.newV(r));b=null!=h;if(j)return null==q?(0==g&&(g=NaN),Float.isNaN(g)?this.rotationRate= +c:(m=w(Math.abs(g)/Math.abs(c)*this.spinFps+0.5),this.rotationRate=g/m*this.spinFps,null!=r&&this.internalTranslation.scale(1/m)),this.internalRotationAxis.setVA(p,0.017453292*(Float.isNaN(this.rotationRate)?0:this.rotationRate)),this.isSpinInternal=!0,this.isSpinFixed=!1,this.isSpinSelected=b):g=c,this.setSpin(a,!0,g,n,q,h,l),!Float.isNaN(g);a=0.017453292*g;this.internalRotationAxis.setVA(p,a);this.rotateAxisAngleRadiansInternal(a,h,m);return!1},"J.api.JmolScriptEvaluator,JU.T3,JU.T3,~N,~N,~B,~B,JU.BS,~B,JU.V3,JU.Lst,~A,JU.M4"); c(c$,"rotateAxisAngleRadiansInternal",function(a,b,d){this.internalRotationAngle=a;this.vectorT.set(this.internalRotationAxis.x,this.internalRotationAxis.y,this.internalRotationAxis.z);this.matrixRotate.rotate2(this.vectorT,this.vectorT2);this.axisangleT.setVA(this.vectorT2,a);this.applyRotation(this.matrixTemp3.setAA(this.axisangleT),!0,b,this.internalTranslation,1E6this.zSlabPercentSetting&&(this.zDepthPercentSetting=a)},"~N");c(c$,"zDepthToPercent",function(a){this.zDepthPercentSetting=a;this.zDepthPercentSetting>this.zSlabPercentSetting&&(this.zSlabPercentSetting=a)},"~N");c(c$,"slabInternal",function(a,b){b?(this.depthPlane=a,this.depthPercentSetting=0):(this.slabPlane=a,this.slabPercentSetting=100);this.slabDepthChanged()}, "JU.P4,~B");c(c$,"setSlabDepthInternal",function(a){a?this.depthPlane=null:this.slabPlane=null;this.finalizeTransformParameters();this.slabInternal(this.getSlabDepthPlane(a),a)},"~B");c(c$,"getSlabDepthPlane",function(a){if(a){if(null!=this.depthPlane)return this.depthPlane}else if(null!=this.slabPlane)return this.slabPlane;var b=this.matrixTransform;return JU.P4.new4(-b.m20,-b.m21,-b.m22,-b.m23+(a?this.depthValue:this.slabValue))},"~B");c(c$,"getCameraFactors",function(){this.aperatureAngle=360* Math.atan2(this.screenPixelCount/2,this.referencePlaneOffset)/3.141592653589793;this.cameraDistanceFromCenter=this.referencePlaneOffset/this.scalePixelsPerAngstrom;var a=JU.P3.new3(w(this.screenWidth/2),w(this.screenHeight/2),this.referencePlaneOffset);this.unTransformPoint(a,a);var b=JU.P3.new3(w(this.screenWidth/2),w(this.screenHeight/2),0);this.unTransformPoint(b,b);b.sub(this.fixedRotationCenter);var d=JU.P3.new3(w(this.screenWidth/2),w(this.screenHeight/2),this.cameraDistanceFromCenter*this.scalePixelsPerAngstrom); -this.unTransformPoint(d,d);d.sub(this.fixedRotationCenter);b.add(d);return A(-1,[a,b,this.fixedRotationCenter,JU.P3.new3(this.cameraDistanceFromCenter,this.aperatureAngle,this.scalePixelsPerAngstrom)])});c(c$,"setPerspectiveDepth",function(a){this.perspectiveDepth!=a&&(this.perspectiveDepth=a,this.vwr.g.setB("perspectiveDepth",a),this.resetFitToScreen(!1))},"~B");c(c$,"getPerspectiveDepth",function(){return this.perspectiveDepth});c(c$,"setCameraDepthPercent",function(a,b){this.resetNavigationPoint(b); -var d=0>a?-a/100:a;0!=d&&(this.cameraDepthSetting=d,this.vwr.g.setF("cameraDepth",this.cameraDepthSetting),this.cameraDepth=NaN)},"~N,~B");c(c$,"getCameraDepth",function(){return this.cameraDepthSetting});c(c$,"setScreenParameters0",function(a,b,d,c,g,f){2147483647!=a&&(this.screenWidth=a,this.screenHeight=b,this.useZoomLarge=d,this.width=(this.antialias=c)?2*a:a,this.height=c?2*b:b,this.scaleFitToScreen(!1,d,g,f))},"~N,~N,~B,~B,~B,~B");c(c$,"setAntialias",function(a){var b=this.antialias!=a;this.width= +this.unTransformPoint(d,d);d.sub(this.fixedRotationCenter);b.add(d);return v(-1,[a,b,this.fixedRotationCenter,JU.P3.new3(this.cameraDistanceFromCenter,this.aperatureAngle,this.scalePixelsPerAngstrom)])});c(c$,"setPerspectiveDepth",function(a){this.perspectiveDepth!=a&&(this.perspectiveDepth=a,this.vwr.g.setB("perspectiveDepth",a),this.resetFitToScreen(!1))},"~B");c(c$,"getPerspectiveDepth",function(){return this.perspectiveDepth});c(c$,"setCameraDepthPercent",function(a,b){this.resetNavigationPoint(b); +var d=0>a?-a/100:a;0!=d&&(this.cameraDepthSetting=d,this.vwr.g.setF("cameraDepth",this.cameraDepthSetting),this.cameraDepth=NaN)},"~N,~B");c(c$,"getCameraDepth",function(){return this.cameraDepthSetting});c(c$,"setScreenParameters0",function(a,b,d,c,g,e){2147483647!=a&&(this.screenWidth=a,this.screenHeight=b,this.useZoomLarge=d,this.width=(this.antialias=c)?2*a:a,this.height=c?2*b:b,this.scaleFitToScreen(!1,d,g,e))},"~N,~N,~B,~B,~B,~B");c(c$,"setAntialias",function(a){var b=this.antialias!=a;this.width= (this.antialias=a)?2*this.screenWidth:this.screenWidth;this.height=this.antialias?2*this.screenHeight:this.screenHeight;b&&this.scaleFitToScreen(!1,this.useZoomLarge,!1,!1)},"~B");c(c$,"defaultScaleToScreen",function(a){return this.screenPixelCount/2/a},"~N");c(c$,"resetFitToScreen",function(a){this.scaleFitToScreen(a,this.vwr.g.zoomLarge,!0,!0)},"~B");c(c$,"scaleFitToScreen",function(a,b,d,c){0==this.width||0==this.height?this.screenPixelCount=1:(this.fixedTranslation.set(this.width*(a?0.5:this.xTranslationFraction), this.height*(a?0.5:this.yTranslationFraction),0),this.setTranslationFractions(),a&&this.camera.set(0,0,0),c&&this.resetNavigationPoint(d),this.zoomHeight&&(b=this.height>this.width),this.screenPixelCount=b==this.height>this.width?this.height:this.width);2a)return 0;var d=this.scaleToPerspective(a,b*this.scalePixelsPerAngstrom/ 1E3);return 0=d&&(d=this.fScrPt.z=1);switch(this.mode){case 1:this.fScrPt.x-= this.navigationShiftXY.x;this.fScrPt.y-=this.navigationShiftXY.y;break;case 2:this.fScrPt.x+=this.perspectiveShiftXY.x,this.fScrPt.y+=this.perspectiveShiftXY.y}this.perspectiveDepth&&(d=this.getPerspectiveFactor(d),this.fScrPt.x*=d,this.fScrPt.y*=d);switch(this.mode){case 1:this.fScrPt.x+=this.navigationOffset.x;this.fScrPt.y+=this.navigationOffset.y;break;case 2:this.fScrPt.x-=this.perspectiveShiftXY.x,this.fScrPt.y-=this.perspectiveShiftXY.y;case 0:this.fScrPt.x+=this.fixedRotationOffset.x,this.fScrPt.y+= this.fixedRotationOffset.y}Float.isNaN(this.fScrPt.x)&&!this.haveNotifiedNaN&&(JU.Logger.debugging&&JU.Logger.debug("NaN found in transformPoint "),this.haveNotifiedNaN=!0);this.iScrPt.set(C(this.fScrPt.x),C(this.fScrPt.y),C(this.fScrPt.z));null!=b&&this.xyzIsSlabbedInternal(b)&&(this.fScrPt.z=this.iScrPt.z=1);return this.iScrPt},"JU.T3,JU.T3");c(c$,"xyzIsSlabbedInternal",function(a){return null!=this.slabPlane&&0a.x*this.depthPlane.x+a.y*this.depthPlane.y+a.z*this.depthPlane.z+this.depthPlane.w},"JU.T3");c(c$,"move",function(a,b,d,c,g,f,j){this.movetoThread=J.api.Interface.getOption("thread.MoveToThread",this.vwr,"tm");this.movetoThread.setManager(this,this.vwr,A(-1,[b,c,K(-1,[d,g,f,j])]));0this.ptTest3.distance(this.ptTest2)},"JU.V3,~N");c(c$,"moveToPyMOL",function(a,b,d){var c=JU.M3.newA9(d);c.invert();var g=d[9],f=-d[10],j=-d[11],h=JU.P3.new3(d[12],d[13],d[14]),l=d[15],n=d[16],m=d[17];this.setPerspectiveDepth(!(0<=m));var m=Math.abs(m)/2,p=Math.tan(3.141592653589793*m/180),m=j* -p,p=0.5/p-0.5,q=50/m;0g&&-0.01=b)this.setAll(d,f,m,j,h,l,n,g,u,p,q,r,s,t),this.vwr.moveUpdate(b),this.vwr.finalizeTransformParameters();else try{null==this.movetoThread&&(this.movetoThread=J.api.Interface.getOption("thread.MoveToThread",this.vwr,"tm"));var w=this.movetoThread.setManager(this,this.vwr,A(-1,[d,f,m,K(-1,[b,j,h,l,n,g,u,p,q,r,s,t])]));0>=w||this.vwr.g.waitForMoveTo?(0a.x*this.depthPlane.x+a.y*this.depthPlane.y+a.z*this.depthPlane.z+this.depthPlane.w},"JU.T3");c(c$,"move",function(a,b,d,c,g,e,j){this.movetoThread=J.api.Interface.getOption("thread.MoveToThread",this.vwr,"tm");this.movetoThread.setManager(this,this.vwr,v(-1,[b,c,K(-1,[d,g,e,j])]));0this.ptTest3.distance(this.ptTest2)},"JU.V3,~N");c(c$,"moveToPyMOL",function(a,b,d){var c=JU.M3.newA9(d);c.invert();var g=d[9],e=-d[10],j=-d[11],h=JU.P3.new3(d[12],d[13],d[14]),l=d[15],r=d[16],n=d[17];this.setPerspectiveDepth(!(0<=n));var n=Math.abs(n)/2,q=Math.tan(3.141592653589793*n/180),n=j* +q,q=0.5/q-0.5,m=50/n;0g&&-0.01=b)this.setAll(d,e,n,j,h,l,r,g,p,q,m,s,t,u),this.vwr.moveUpdate(b),this.vwr.finalizeTransformParameters();else try{null==this.movetoThread&&(this.movetoThread=J.api.Interface.getOption("thread.MoveToThread",this.vwr,"tm"));var x=this.movetoThread.setManager(this,this.vwr,v(-1,[d,e,n,K(-1,[b,j,h,l,r,g,p,q,m,s,t,u])]));0>=x||this.vwr.g.waitForMoveTo?(0a)return"{0 0 1 0}";this.vectorT.normalize();this.vectorT.scale(1E3);b.append("{");JV.TransformManager.truncate0(b,this.vectorT.x);JV.TransformManager.truncate0(b,this.vectorT.y);JV.TransformManager.truncate0(b,this.vectorT.z);JV.TransformManager.truncate2(b,a);b.append("}");return b.toString()});c(c$,"getMoveToText",function(a,b){this.finalizeTransformParameters();var d=new JU.SB;d.append("moveto ");b&&d.append("/* time, axisAngle */ "); d.appendF(a);d.append(" ").append(this.getRotationText());b&&d.append(" /* zoom, translation */ ");JV.TransformManager.truncate2(d,this.zmPctSet);JV.TransformManager.truncate2(d,this.getTranslationXPercent());JV.TransformManager.truncate2(d,this.getTranslationYPercent());d.append(" ");b&&d.append(" /* center, rotationRadius */ ");d.append(this.getCenterText());d.append(" ").appendF(this.modelRadius);d.append(this.getNavigationText(b));b&&d.append(" /* cameraDepth, cameraX, cameraY */ ");JV.TransformManager.truncate2(d, this.cameraDepth);JV.TransformManager.truncate2(d,this.cameraSetting.x);JV.TransformManager.truncate2(d,this.cameraSetting.y);d.append(";");return d.toString()},"~N,~B");c(c$,"getCenterText",function(){return JU.Escape.eP(this.fixedRotationCenter)});c(c$,"getRotateXyzText",function(){var a=new JU.SB,b=this.matrixRotate.m20,d=-(57.29577951308232*Math.asin(b)),c;0.999b?(b=-(57.29577951308232*Math.atan2(this.matrixRotate.m12,this.matrixRotate.m11)),c=0):(b=57.29577951308232*Math.atan2(this.matrixRotate.m21, @@ -2317,8 +2339,8 @@ this.matrixRotate.m22),c=57.29577951308232*Math.atan2(this.matrixRotate.m10,this a.append(";navigate 0 translate"),JV.TransformManager.truncate2(a,this.getNavigationOffsetPercent("X")),JV.TransformManager.truncate2(a,this.getNavigationOffsetPercent("Y")),a.append(";navigate 0 depth "),JV.TransformManager.truncate2(a,this.navigationDepthPercent),a.append(";"))},"JU.SB");c(c$,"getRotateZyzText",function(a){var b=new JU.SB,d=this.vwr.ms.getInfoM("defaultOrientationMatrix");null==d?d=this.matrixRotate:(d=JU.M3.newM3(d),d.invert(),d.mul2(this.matrixRotate,d));var c=d.m22,g=57.29577951308232* Math.acos(c);0.999c?(c=57.29577951308232*Math.atan2(d.m10,d.m11),d=0):(c=57.29577951308232*Math.atan2(d.m21,-d.m20),d=57.29577951308232*Math.atan2(d.m12,d.m02));0!=c&&(0!=g&&0!=d&&a)&&b.append("#Follows Z-Y-Z convention for Euler angles\n");b.append("reset");b.append(";center ").append(this.getCenterText());0!=c&&(b.append("; rotate z"),JV.TransformManager.truncate2(b,c));0!=g&&(b.append("; rotate y"),JV.TransformManager.truncate2(b,g));0!=d&&(b.append("; rotate z"),JV.TransformManager.truncate2(b, d));b.append(";");this.addZoomTranslationNavigationText(b);return b.toString()},"~B");c$.truncate0=c(c$,"truncate0",function(a,b){a.appendC(" ");a.appendI(Math.round(b))},"JU.SB,~N");c$.truncate2=c(c$,"truncate2",function(a,b){a.appendC(" ");a.appendF(Math.round(100*b)/100)},"JU.SB,~N");c(c$,"setSpinXYZ",function(a,b,d){Float.isNaN(a)||(this.spinX=a);Float.isNaN(b)||(this.spinY=b);Float.isNaN(d)||(this.spinZ=d);(this.isSpinInternal||this.isSpinFixed)&&this.clearSpin()},"~N,~N,~N");c(c$,"setSpinFps", -function(a){0>=a?a=1:50=a?a=1:50this.vwr.ms.mc?(this.vibrationOn=!1,this.vibrationT.x=0):(null==this.vibrationThread&&(this.vibrationThread=J.api.Interface.getOption("thread.VibrationThread",this.vwr,"tm"),this.vibrationThread.setManager(this,this.vwr,null),this.vibrationThread.start()),this.vibrationOn= @@ -2335,25 +2357,25 @@ function(a,b){this.untransformedPoint.setT(a);switch(this.mode){case 1:this.untr d}switch(this.mode){case 1:this.untransformedPoint.x+=this.navigationShiftXY.x;this.untransformedPoint.y+=this.navigationShiftXY.y;break;case 2:this.untransformedPoint.x-=this.perspectiveShiftXY.x,this.untransformedPoint.y-=this.perspectiveShiftXY.y}this.matrixTransformInv.rotTrans2(this.untransformedPoint,b)},"JU.T3,JU.T3");c(c$,"resetNavigationPoint",function(a){5>this.zmPct&&1!=this.mode?(this.perspectiveDepth=!0,this.mode=1):(1==this.mode?(this.navMode=1,this.slabPercentSetting=0,this.perspectiveDepth= !0):a&&(this.slabPercentSetting=100),this.vwr.setFloatProperty("slabRange",0),a&&this.setSlabEnabled(1==this.mode),this.zoomFactor=3.4028235E38,this.zmPctSet=this.zmPct)},"~B");c(c$,"setNavigatePt",function(a){this.navigationCenter.setT(a);this.navMode=3;this.navigating=!0;this.finalizeTransformParameters();this.navigating=!1},"JU.P3");c(c$,"setNavigationSlabOffsetPercent",function(a){this.vwr.g.setF("navigationSlab",a);this.calcCameraFactors();this.navigationSlabOffset=a/50*this.modelRadiusPixels}, "~N");c(c$,"getNavigationOffset",function(){this.transformPt3f(this.navigationCenter,this.navigationOffset);return this.navigationOffset});c(c$,"getNavPtHeight",function(){return this.height/2});c(c$,"getNavigationOffsetPercent",function(a){this.getNavigationOffset();return 0==this.width||0==this.height?0:"X"==a?100*(this.navigationOffset.x-this.width/2)/this.width:100*(this.navigationOffset.y-this.getNavPtHeight())/this.height},"~S");c(c$,"getNavigationText",function(a){a=a?" /* navigation center, translation, depth */ ": -" ";if(1!=this.mode)return a+"{0 0 0} 0 0 0";this.getNavigationOffset();return a+JU.Escape.eP(this.navigationCenter)+" "+this.getNavigationOffsetPercent("X")+" "+this.getNavigationOffsetPercent("Y")+" "+this.navigationDepthPercent},"~B");c(c$,"setScreenParameters",function(a,b,d,c,g,f){var j=1==this.mode?JU.P3.newP(this.navigationCenter):null,h=JU.P3.newP(this.navigationOffset);h.x/=this.width;h.y/=this.height;this.setScreenParameters0(a,b,d,c,g,f);null!=j&&(this.navigationCenter.setT(j),this.navTranslatePercentOrTo(-1, +" ";if(1!=this.mode)return a+"{0 0 0} 0 0 0";this.getNavigationOffset();return a+JU.Escape.eP(this.navigationCenter)+" "+this.getNavigationOffsetPercent("X")+" "+this.getNavigationOffsetPercent("Y")+" "+this.navigationDepthPercent},"~B");c(c$,"setScreenParameters",function(a,b,d,c,g,e){var j=1==this.mode?JU.P3.newP(this.navigationCenter):null,h=JU.P3.newP(this.navigationOffset);h.x/=this.width;h.y/=this.height;this.setScreenParameters0(a,b,d,c,g,e);null!=j&&(this.navigationCenter.setT(j),this.navTranslatePercentOrTo(-1, h.x*this.width,h.y*this.height),this.setNavigatePt(j))},"~N,~N,~B,~B,~B,~B");c(c$,"navInterrupt",function(){null!=this.nav&&this.nav.interrupt()});c(c$,"getNav",function(){if(null!=this.nav)return!0;this.nav=J.api.Interface.getOption("navigate.Navigator",this.vwr,"tm");if(null==this.nav)return!1;this.nav.set(this,this.vwr);return!0});c(c$,"navigateList",function(a,b){this.getNav()&&this.nav.navigateList(a,b)},"J.api.JmolScriptEvaluator,JU.Lst");c(c$,"navigateAxis",function(a,b){this.getNav()&&this.nav.navigateAxis(a, b)},"JU.V3,~N");c(c$,"setNavigationOffsetRelative",function(){this.getNav()&&this.nav.setNavigationOffsetRelative()});c(c$,"navigateKey",function(a,b){this.getNav()&&this.nav.navigateKey(a,b)},"~N,~N");c(c$,"setNavigationDepthPercent",function(a){this.getNav()&&this.nav.setNavigationDepthPercent(a)},"~N");c(c$,"navTranslatePercentOrTo",function(a,b,d){this.getNav()&&this.nav.navTranslatePercentOrTo(a,b,d)},"~N,~N,~N");c(c$,"calcNavigationPoint",function(){this.getNav()&&this.nav.calcNavigationPoint()}); -c(c$,"getNavigationState",function(){return 1==this.mode&&this.getNav()?this.nav.getNavigationState():""});F(c$,"DEFAULT_SPIN_Y",30,"DEFAULT_SPIN_FPS",30,"DEFAULT_NAV_FPS",10,"DEFAULT_VISUAL_RANGE",5,"DEFAULT_STEREO_DEGREES",-5,"MODE_STANDARD",0,"MODE_NAVIGATION",1,"MODE_PERSPECTIVE_PYMOL",2,"DEFAULT_PERSPECTIVE_MODEL",11,"DEFAULT_PERSPECTIVE_DEPTH",!0,"DEFAULT_CAMERA_DEPTH",3,"degreesPerRadian",57.29577951308232,"MAXIMUM_ZOOM_PERCENTAGE",2E5,"MAXIMUM_ZOOM_PERSPECTIVE_DEPTH",1E4,"NAV_MODE_IGNORE", --2,"NAV_MODE_ZOOMED",-1,"NAV_MODE_NONE",0,"NAV_MODE_RESET",1,"NAV_MODE_NEWXY",2,"NAV_MODE_NEWXYZ",3,"NAV_MODE_NEWZ",4)});r("JV");x(["java.lang.Enum","J.api.JmolViewer","$.PlatformViewer","J.atomdata.AtomDataServer","java.util.Hashtable"],"JV.Viewer","java.io.BufferedInputStream $.BufferedReader $.Reader java.lang.Boolean $.Character $.Float $.NullPointerException java.util.Arrays JU.AU $.BS $.CU $.DF $.Lst $.P3 $.P3i $.PT $.Quat $.Rdr $.SB J.adapter.smarter.SmarterJmolAdapter J.api.Interface $.JmolAppConsoleInterface J.atomdata.RadiusData J.c.FIL $.STER $.VDW J.i18n.GT JM.ModelSet JS.SV $.T J.thread.TimeoutThread JU.BSUtil $.C $.CommandHistory $.Elements $.Escape $.GData $.JmolMolecule $.Logger $.Parser $.TempArray JV.ActionManager $.AnimationManager $.ColorManager $.FileManager $.GlobalSettings $.JC $.ModelManager $.SelectionManager $.ShapeManager $.StateManager $.StatusManager $.TransformManager JV.binding.Binding".split(" "), -function(){c$=v(function(){this.queueOnHold=this.isSingleThreaded=this.haveDisplay=this.autoExit=this.testAsync=!1;this.fullName="";this.fm=this.ms=this.definedAtomSets=this.compiler=null;this.mustRender=this.listCommands=this.isSyntaxCheck=this.isSyntaxAndFileCheck=this.isJNLP=this.isApplet=!1;this.appletName=this.htmlName="";this.tryPt=0;this.insertedCommand="";this.tm=this.sm=this.g=this.rm=this.slm=this.shm=this.dm=this.cm=this.am=this.acm=this.html5Applet=this.gdata=null;this.logFilePath=this.syncId= +c(c$,"getNavigationState",function(){return 1==this.mode&&this.getNav()?this.nav.getNavigationState():""});G(c$,"DEFAULT_SPIN_Y",30,"DEFAULT_SPIN_FPS",30,"DEFAULT_NAV_FPS",10,"DEFAULT_VISUAL_RANGE",5,"DEFAULT_STEREO_DEGREES",-5,"MODE_STANDARD",0,"MODE_NAVIGATION",1,"MODE_PERSPECTIVE_PYMOL",2,"DEFAULT_PERSPECTIVE_MODEL",11,"DEFAULT_PERSPECTIVE_DEPTH",!0,"DEFAULT_CAMERA_DEPTH",3,"degreesPerRadian",57.29577951308232,"MAXIMUM_ZOOM_PERCENTAGE",2E5,"MAXIMUM_ZOOM_PERSPECTIVE_DEPTH",1E4,"NAV_MODE_IGNORE", +-2,"NAV_MODE_ZOOMED",-1,"NAV_MODE_NONE",0,"NAV_MODE_RESET",1,"NAV_MODE_NEWXY",2,"NAV_MODE_NEWXYZ",3,"NAV_MODE_NEWZ",4)});m("JV");x(["java.lang.Enum","J.api.JmolViewer","$.PlatformViewer","J.atomdata.AtomDataServer","java.util.Hashtable"],"JV.Viewer","java.io.BufferedInputStream $.BufferedReader $.Reader java.lang.Boolean $.Character $.Float $.NullPointerException java.util.Arrays JU.AU $.BS $.CU $.DF $.Lst $.P3 $.P3i $.PT $.Quat $.Rdr $.SB J.adapter.smarter.SmarterJmolAdapter J.api.Interface $.JmolAppConsoleInterface J.atomdata.RadiusData J.c.FIL $.STER $.VDW J.i18n.GT JM.ModelSet JS.SV $.T J.thread.TimeoutThread JU.BSUtil $.C $.CommandHistory $.Elements $.Escape $.GData $.JmolMolecule $.Logger $.Parser $.TempArray JV.ActionManager $.AnimationManager $.ColorManager $.FileManager $.GlobalSettings $.JC $.ModelManager $.SelectionManager $.ShapeManager $.StateManager $.StatusManager $.TransformManager JV.binding.Binding".split(" "), +function(){c$=u(function(){this.queueOnHold=this.isSingleThreaded=this.haveDisplay=this.autoExit=this.testAsync=!1;this.fullName="";this.fm=this.ms=this.definedAtomSets=this.compiler=null;this.mustRender=this.listCommands=this.isSyntaxCheck=this.isSyntaxAndFileCheck=this.isJNLP=this.isApplet=!1;this.appletName=this.htmlName="";this.tryPt=0;this.insertedCommand="";this.tm=this.sm=this.g=this.rm=this.slm=this.shm=this.dm=this.cm=this.am=this.acm=this.html5Applet=this.gdata=null;this.logFilePath=this.syncId= "";this.useCommandThread=this.noGraphicsAllowed=this.multiTouch=this.isSilent=this.isSignedAppletLocal=this.isSignedApplet=this.isPrintOnly=this.allowScripting=!1;this.tempArray=this.eval=this.scm=this.stm=this.mm=this.commandHistory=this.access=this.modelAdapter=this.display=this.vwrOptions=this.commandOptions=null;this.async=this.allowArrayDotNotation=!1;this.executor=null;this.screenHeight=this.screenWidth=0;this.errorMessageUntranslated=this.errorMessage=this.chainList=this.chainMap=this.rd=this.defaultVdw= -this.actionStatesRedo=this.actionStates=null;this.privateKey=0;this.headless=this.isPreviewOnly=this.dataOnly=!1;this.lastData=this.jsc=this.smilesMatcher=this.minimizer=this.dssrParser=this.annotationParser=this.ligandModelSet=this.ligandModels=this.mouse=this.movableBitSet=null;this.motionEventNumber=0;this.inMotion=!1;this.refreshing=!0;this.axesAreTainted=!1;this.maximumSize=2147483647;this.gRight=null;this.isStereoSlave=!1;this.imageFontScaling=1;this.jsParams=this.captureParams=null;this.antialiased= -!1;this.hoverAtomIndex=-1;this.hoverText=null;this.hoverLabel="%U";this.hoverEnabled=!0;this.currentCursor=0;this.ptTemp=null;this.prevFrame=-2147483648;this.prevMorphModel=0;this.haveJDX=!1;this.jsv=null;this.selectionHalosEnabled=!1;this.noFrankEcho=this.frankOn=!0;this.scriptEditorVisible=!1;this.pm=this.headlessImageParams=this.modelkit=this.jmolpopup=this.scriptEditor=this.appConsole=null;this.isTainted=!0;this.showSelected=this.movingSelected=!1;this.atomHighlighted=-1;this.creatingImage=!1; -this.userVdwMars=this.userVdws=this.bsUserVdws=this.outputManager=null;this.currentShapeID=-1;this.localFunctions=this.currentShapeState=null;this.$isKiosk=!1;this.displayLoadErrors=!0;this.$isParallel=!1;this.stateScriptVersionInt=0;this.timeouts=this.jsExporter3D=null;this.chainCaseSpecified=!1;this.macros=this.nboParser=this.triangulator=this.jsonParser=this.jcm=this.jbr=this.jzt=this.logFileName=this.nmrCalculation=null;s(this,arguments)},JV,"Viewer",J.api.JmolViewer,[J.atomdata.AtomDataServer, -J.api.PlatformViewer]);c(c$,"finalize",function(){JU.Logger.debugging&&JU.Logger.debug("vwr finalize "+this);W(this,JV.Viewer,"finalize",[])});c(c$,"setInsertedCommand",function(a){this.insertedCommand=a},"~S");c$.getJmolVersion=h(c$,"getJmolVersion",function(){return null==JV.Viewer.version_date?JV.Viewer.version_date=JV.JC.version+" "+JV.JC.date:JV.Viewer.version_date});c$.allocateViewer=c(c$,"allocateViewer",function(a,b,d,c,g,f,j,h){var l=new java.util.Hashtable;l.put("display",a);l.put("adapter", -b);l.put("statusListener",j);l.put("platform",h);l.put("options",f);l.put("fullName",d);l.put("documentBase",c);l.put("codeBase",g);return new JV.Viewer(l)},"~O,J.api.JmolAdapter,~S,java.net.URL,java.net.URL,~S,J.api.JmolStatusListener,J.api.GenericPlatform");t(c$,function(a){H(this,JV.Viewer,[]);this.commandHistory=new JU.CommandHistory;this.rd=new J.atomdata.RadiusData(null,0,null,null);this.defaultVdw=J.c.VDW.JMOL;this.localFunctions=new java.util.Hashtable;this.privateKey=Math.random();this.actionStates= -new JU.Lst;this.actionStatesRedo=new JU.Lst;this.chainMap=new java.util.Hashtable;this.chainList=new JU.Lst;this.setOptions(a)},"java.util.Map");c(c$,"haveAccess",function(a){return this.access===a},"JV.Viewer.ACCESS");h(c$,"getModelAdapter",function(){return null==this.modelAdapter?this.modelAdapter=new J.adapter.smarter.SmarterJmolAdapter:this.modelAdapter});h(c$,"getSmartsMatch",function(a,b){null==b&&(b=this.bsA());return this.getSmilesMatcher().getSubstructureSet(a,this.ms.at,this.ms.ac,b,2)}, -"~S,JU.BS");c(c$,"getSmartsMatchForNodes",function(a,b){return this.getSmilesMatcher().getSubstructureSet(a,b,b.length,null,2)},"~S,~A");c(c$,"getSmartsMap",function(a,b,d){null==b&&(b=this.bsA());0==d&&(d=2);return this.getSmilesMatcher().getCorrelationMaps(a,this.ms.at,this.ms.ac,b,d)},"~S,JU.BS,~N");c(c$,"setOptions",function(a){this.vwrOptions=a;JU.Logger.debugging&&JU.Logger.debug("Viewer constructor "+this);this.modelAdapter=a.get("adapter");var b=a.get("statusListener");this.fullName=a.get("fullName"); -null==this.fullName&&(this.fullName="");var d=a.get("codePath");null==d&&(d="../java/");JV.Viewer.appletCodeBase=d.toString();JV.Viewer.appletIdiomaBase=JV.Viewer.appletCodeBase.substring(0,JV.Viewer.appletCodeBase.lastIndexOf("/",JV.Viewer.appletCodeBase.length-2)+1)+"idioma";d=a.get("documentBase");JV.Viewer.appletDocumentBase=null==d?"":d.toString();d=a.get("options");this.commandOptions=null==d?"":d.toString();(a.containsKey("debug")||0<=this.commandOptions.indexOf("-debug"))&&JU.Logger.setLogLevel(5); -this.isApplet&&a.containsKey("maximumSize")&&this.setMaximumSize(a.get("maximumSize").intValue());(this.isJNLP=this.checkOption2("isJNLP","-jnlp"))&&JU.Logger.info("setting JNLP mode TRUE");this.isApplet=(this.isSignedApplet=this.isJNLP||this.checkOption2("signedApplet","-signed"))||this.checkOption2("applet","-applet");this.allowScripting=!this.checkOption2("noscripting","-noscripting");var c=this.fullName.indexOf("__");this.htmlName=0>c?this.fullName:this.fullName.substring(0,c);this.appletName= -JU.PT.split(this.htmlName+"_","_")[0];this.syncId=0>c?"":this.fullName.substring(c+2,this.fullName.length-2);this.access=this.checkOption2("access:READSPT","-r")?JV.Viewer.ACCESS.READSPT:this.checkOption2("access:NONE","-R")?JV.Viewer.ACCESS.NONE:JV.Viewer.ACCESS.ALL;(this.isPreviewOnly=a.containsKey("previewOnly"))&&a.remove("previewOnly");this.isPrintOnly=this.checkOption2("printOnly","-p");this.dataOnly=this.checkOption2("isDataOnly","\x00");this.autoExit=this.checkOption2("exit","-x");d=a.get("platform"); -c="unknown";null==d&&(d=this.commandOptions.contains("platform=")?this.commandOptions.substring(this.commandOptions.indexOf("platform=")+9):"J.awt.Platform");if(q(d,String)){c=d;JV.Viewer.isWebGL=0<=c.indexOf(".awtjs.");JV.Viewer.isJS=JV.Viewer.isJSNoAWT=JV.Viewer.isWebGL||0<=c.indexOf(".awtjs2d.");this.async=!this.dataOnly&&!this.autoExit&&(this.testAsync||JV.Viewer.isJS&&a.containsKey("async"));var g=d=null,f="?";self.Jmol&&(g=Jmol,d=Jmol._applets[this.htmlName.split("_object")[0]],f=Jmol._version); -null!=f&&(this.html5Applet=d,JV.Viewer.jmolObject=g,JV.Viewer.strJavaVersion=f,JV.Viewer.strJavaVendor="Java2Script "+((this,JV.Viewer).isWebGL?"(WebGL)":"(HTML5)"));d=J.api.Interface.getInterface(c,this,"setOptions")}this.apiPlatform=d;this.display=a.get("display");this.isSingleThreaded=this.apiPlatform.isSingleThreaded();this.noGraphicsAllowed=this.checkOption2("noDisplay","-n");this.headless=this.apiPlatform.isHeadless();this.haveDisplay=JV.Viewer.isWebGL||null!=this.display&&!this.noGraphicsAllowed&& +this.actionStatesRedo=this.actionStates=null;this.privateKey=0;this.dataOnly=!1;this.maximumSize=2147483647;this.gRight=null;this.isStereoSlave=!1;this.imageFontScaling=1;this.antialiased=!1;this.prevFrame=-2147483648;this.prevMorphModel=0;this.haveJDX=!1;this.jzt=this.outputManager=this.jsv=null;this.headless=this.isPreviewOnly=!1;this.lastData=this.jsc=this.smilesMatcher=this.minimizer=this.dssrParser=this.annotationParser=this.ligandModelSet=this.ligandModels=this.mouse=this.movableBitSet=null; +this.motionEventNumber=0;this.inMotion=!1;this.refreshing=!0;this.axesAreTainted=!1;this.jsParams=this.captureParams=null;this.cirChecked=!1;this.hoverAtomIndex=-1;this.hoverText=null;this.hoverLabel="%U";this.hoverEnabled=!0;this.currentCursor=0;this.ptTemp=null;this.selectionHalosEnabled=!1;this.noFrankEcho=this.frankOn=!0;this.scriptEditorVisible=!1;this.pm=this.headlessImageParams=this.modelkit=this.jmolpopup=this.scriptEditor=this.appConsole=null;this.isTainted=!0;this.showSelected=this.movingSelected= +!1;this.atomHighlighted=-1;this.creatingImage=!1;this.userVdwMars=this.userVdws=this.bsUserVdws=null;this.currentShapeID=-1;this.localFunctions=this.currentShapeState=null;this.$isKiosk=!1;this.displayLoadErrors=!0;this.$isParallel=!1;this.stateScriptVersionInt=0;this.timeouts=this.jsExporter3D=null;this.chainCaseSpecified=!1;this.macros=this.nboParser=this.triangulator=this.jsonParser=this.jcm=this.jbr=this.logFileName=this.nmrCalculation=null;this.consoleFontScale=1;t(this,arguments)},JV,"Viewer", +J.api.JmolViewer,[J.atomdata.AtomDataServer,J.api.PlatformViewer]);c(c$,"finalize",function(){JU.Logger.debugging&&JU.Logger.debug("vwr finalize "+this);T(this,JV.Viewer,"finalize",[])});c(c$,"setInsertedCommand",function(a){this.insertedCommand=a},"~S");c$.getJmolVersion=h(c$,"getJmolVersion",function(){return null==JV.Viewer.version_date?JV.Viewer.version_date=JV.JC.version+" "+JV.JC.date:JV.Viewer.version_date});c$.allocateViewer=c(c$,"allocateViewer",function(a,b,d,c,g,e,j,h){var l=new java.util.Hashtable; +l.put("display",a);l.put("adapter",b);l.put("statusListener",j);l.put("platform",h);l.put("options",e);l.put("fullName",d);l.put("documentBase",c);l.put("codeBase",g);return new JV.Viewer(l)},"~O,J.api.JmolAdapter,~S,java.net.URL,java.net.URL,~S,J.api.JmolStatusListener,J.api.GenericPlatform");p(c$,function(a){H(this,JV.Viewer,[]);this.commandHistory=new JU.CommandHistory;this.rd=new J.atomdata.RadiusData(null,0,null,null);this.defaultVdw=J.c.VDW.JMOL;this.localFunctions=new java.util.Hashtable;this.privateKey= +Math.random();this.actionStates=new JU.Lst;this.actionStatesRedo=new JU.Lst;this.chainMap=new java.util.Hashtable;this.chainList=new JU.Lst;this.setOptions(a)},"java.util.Map");c(c$,"haveAccess",function(a){return this.access===a},"JV.Viewer.ACCESS");h(c$,"getModelAdapter",function(){return null==this.modelAdapter?this.modelAdapter=new J.adapter.smarter.SmarterJmolAdapter:this.modelAdapter});h(c$,"getSmartsMatch",function(a,b){null==b&&(b=this.bsA());return this.getSmilesMatcher().getSubstructureSet(a, +this.ms.at,this.ms.ac,b,2)},"~S,JU.BS");c(c$,"getSmartsMatchForNodes",function(a,b){return this.getSmilesMatcher().getSubstructureSet(a,b,b.length,null,2)},"~S,~A");c(c$,"getSmartsMap",function(a,b,d){null==b&&(b=this.bsA());0==d&&(d=2);return this.getSmilesMatcher().getCorrelationMaps(a,this.ms.at,this.ms.ac,b,d)},"~S,JU.BS,~N");c(c$,"setOptions",function(a){this.vwrOptions=a;JU.Logger.debugging&&JU.Logger.debug("Viewer constructor "+this);this.modelAdapter=a.get("adapter");var b=a.get("statusListener"); +this.fullName=a.get("fullName");null==this.fullName&&(this.fullName="");var d=a.get("codePath");null==d&&(d="../java/");JV.Viewer.appletCodeBase=d.toString();JV.Viewer.appletIdiomaBase=JV.Viewer.appletCodeBase.substring(0,JV.Viewer.appletCodeBase.lastIndexOf("/",JV.Viewer.appletCodeBase.length-2)+1)+"idioma";d=a.get("documentBase");JV.Viewer.appletDocumentBase=null==d?"":d.toString();d=a.get("options");this.commandOptions=null==d?"":d.toString();(a.containsKey("debug")||0<=this.commandOptions.indexOf("-debug"))&& +JU.Logger.setLogLevel(5);this.isApplet&&a.containsKey("maximumSize")&&this.setMaximumSize(a.get("maximumSize").intValue());(this.isJNLP=this.checkOption2("isJNLP","-jnlp"))&&JU.Logger.info("setting JNLP mode TRUE");this.isApplet=(this.isSignedApplet=this.isJNLP||this.checkOption2("signedApplet","-signed"))||this.checkOption2("applet","-applet");this.allowScripting=!this.checkOption2("noscripting","-noscripting");var c=this.fullName.indexOf("__");this.htmlName=0>c?this.fullName:this.fullName.substring(0, +c);this.appletName=JU.PT.split(this.htmlName+"_","_")[0];this.syncId=0>c?"":this.fullName.substring(c+2,this.fullName.length-2);this.access=this.checkOption2("access:READSPT","-r")?JV.Viewer.ACCESS.READSPT:this.checkOption2("access:NONE","-R")?JV.Viewer.ACCESS.NONE:JV.Viewer.ACCESS.ALL;(this.isPreviewOnly=a.containsKey("previewOnly"))&&a.remove("previewOnly");this.isPrintOnly=this.checkOption2("printOnly","-p");this.dataOnly=this.checkOption2("isDataOnly","\x00");this.autoExit=this.checkOption2("exit", +"-x");d=a.get("platform");c="unknown";null==d&&(d=this.commandOptions.contains("platform=")?this.commandOptions.substring(this.commandOptions.indexOf("platform=")+9):"J.awt.Platform");if(s(d,String)){c=d;JV.Viewer.isWebGL=0<=c.indexOf(".awtjs.");JV.Viewer.isJS=JV.Viewer.isJSNoAWT=JV.Viewer.isWebGL||0<=c.indexOf(".awtjs2d.");this.async=!this.dataOnly&&!this.autoExit&&(this.testAsync||JV.Viewer.isJS&&a.containsKey("async"));var g=d=null,e="?";self.Jmol&&(g=Jmol,d=Jmol._applets[this.htmlName.split("_object")[0]], +e=Jmol._version);null!=e&&(this.html5Applet=d,JV.Viewer.jmolObject=g,JV.Viewer.strJavaVersion=e,JV.Viewer.strJavaVendor="Java2Script "+(JV.Viewer.isWebGL?"(WebGL)":"(HTML5)"));d=J.api.Interface.getInterface(c,this,"setOptions")}this.apiPlatform=d;this.display=a.get("display");this.isSingleThreaded=this.apiPlatform.isSingleThreaded();this.noGraphicsAllowed=this.checkOption2("noDisplay","-n");this.headless=this.apiPlatform.isHeadless();this.haveDisplay=JV.Viewer.isWebGL||null!=this.display&&!this.noGraphicsAllowed&& !this.headless&&!this.dataOnly;this.noGraphicsAllowed=(new Boolean(this.noGraphicsAllowed&null==this.display)).valueOf();this.headless=(new Boolean(this.headless|this.noGraphicsAllowed)).valueOf();this.haveDisplay?(this.mustRender=!0,this.multiTouch=this.checkOption2("multiTouch","-multitouch"),this.isWebGL||(this.display=document.getElementById(this.display))):this.display=null;this.apiPlatform.setViewer(this,this.display);d=a.get("graphicsAdapter");null==d&&!JV.Viewer.isWebGL&&(d=J.api.Interface.getOption("g3d.Graphics3D", this,"setOptions"));this.gdata=null==d&&(JV.Viewer.isWebGL||!JV.Viewer.isJS)?new JU.GData:d;this.gdata.initialize(this,this.apiPlatform);this.stm=new JV.StateManager(this);this.cm=new JV.ColorManager(this,this.gdata);this.sm=new JV.StatusManager(this);c=a.containsKey("4DMouse");this.tm=JV.TransformManager.getTransformManager(this,2147483647,0,c);this.slm=new JV.SelectionManager(this);this.haveDisplay&&(this.acm=this.multiTouch?J.api.Interface.getOption("multitouch.ActionManagerMT",null,null):new JV.ActionManager, this.acm.setViewer(this,this.commandOptions+"-multitouch-"+a.get("multiTouch")),this.mouse=this.apiPlatform.getMouseManager(this.privateKey,this.display),this.multiTouch&&!this.checkOption2("-simulated","-simulated")&&this.apiPlatform.setTransparentCursor(this.display));this.mm=new JV.ModelManager(this);this.shm=new JV.ShapeManager(this);this.tempArray=new JU.TempArray;this.am=new JV.AnimationManager(this);d=a.get("repaintManager");null==d&&(d=J.api.Interface.getOption("render.RepaintManager",this, @@ -2361,377 +2383,384 @@ this.acm.setViewer(this,this.commandOptions+"-multitouch-"+a.get("multiTouch")), JU.Logger.info("setting current directory to "+b),this.cd(b)),b=JV.Viewer.appletDocumentBase,c=b.indexOf("#"),0<=c&&(b=b.substring(0,c)),c=b.lastIndexOf("?"),0<=c&&(b=b.substring(0,c)),c=b.lastIndexOf("/"),0<=c&&(b=b.substring(0,c)),JV.Viewer.jsDocumentBase=b,this.fm.setAppletContext(JV.Viewer.appletDocumentBase),b=a.get("appletProxy"),null!=b&&this.setStringProperty("appletProxy",b),this.isSignedApplet?(this.logFilePath=JU.PT.rep(JV.Viewer.appletCodeBase,"file://",""),this.logFilePath=JU.PT.rep(this.logFilePath, "file:/",""),0<=this.logFilePath.indexOf("//")?this.logFilePath=null:this.isSignedAppletLocal=!0):JV.Viewer.isJS||(this.logFilePath=null),new J.i18n.GT(this,a.get("language")),JV.Viewer.isJS&&this.acm.createActions()):(this.gdata.setBackgroundTransparent(this.checkOption2("backgroundTransparent","-b")),(this.isSilent=this.checkOption2("silent","-i"))&&JU.Logger.setLogLevel(3),this.headless&&!this.isSilent&&JU.Logger.info("Operating headless display="+this.display+" nographicsallowed="+this.noGraphicsAllowed), this.isSyntaxCheck=(this.isSyntaxAndFileCheck=this.checkOption2("checkLoad","-C"))||this.checkOption2("check","-c"),this.listCommands=this.checkOption2("listCommands","-l"),this.cd("."),this.headless&&(this.headlessImageParams=a.get("headlessImage"),d=a.get("headlistMaxTimeMs"),null==d&&(d=Integer.$valueOf(6E4)),this.setTimeout(""+Math.random(),d.intValue(),"exitJmol")));this.useCommandThread=!this.headless&&this.checkOption2("useCommandThread","-threaded");this.setStartupBooleans();this.setIntProperty("_nProcessors", -JV.Viewer.nProcessors);this.isSilent||JU.Logger.info("(C) 2015 Jmol Development\nJmol Version: "+JV.Viewer.getJmolVersion()+"\njava.vendor: "+JV.Viewer.strJavaVendor+"\njava.version: "+JV.Viewer.strJavaVersion+"\nos.name: "+JV.Viewer.strOSName+"\nAccess: "+this.access+"\nmemory: "+this.getP("_memory")+"\nprocessors available: "+JV.Viewer.nProcessors+"\nuseCommandThread: "+this.useCommandThread+(!this.isApplet?"":"\nappletId:"+this.htmlName+(this.isSignedApplet?" (signed)":"")));this.allowScripting&& -this.getScriptManager();this.zap(!1,!0,!1);this.g.setO("language",J.i18n.GT.getLanguage());this.g.setO("_hoverLabel",this.hoverLabel);this.stm.setJmolDefaults();JU.Elements.covalentVersion=1;this.allowArrayDotNotation=!0},"java.util.Map");c(c$,"setDisplay",function(a){this.display=a;this.apiPlatform.setViewer(this,a)},"~O");c(c$,"newMeasurementData",function(a,b){return J.api.Interface.getInterface("JM.MeasurementData",this,"script").init(a,this,b)},"~S,JU.Lst");c(c$,"getDataManager",function(){return null== -this.dm?this.dm=J.api.Interface.getInterface("JV.DataManager",this,"script").set(this):this.dm});c(c$,"getScriptManager",function(){if(this.allowScripting&&null==this.scm){this.scm=J.api.Interface.getInterface("JS.ScriptManager",this,"setOptions");if(JV.Viewer.isJS&&null==this.scm)throw new NullPointerException;if(null==this.scm)return this.allowScripting=!1,null;this.eval=this.scm.setViewer(this);this.useCommandThread&&this.scm.startCommandWatcher(!0)}return this.scm});c(c$,"checkOption2",function(a, -b){return this.vwrOptions.containsKey(a)||0<=this.commandOptions.indexOf(b)},"~S,~S");c(c$,"setStartupBooleans",function(){this.setBooleanProperty("_applet",this.isApplet);this.setBooleanProperty("_jspecview",!1);this.setBooleanProperty("_signedApplet",this.isSignedApplet);this.setBooleanProperty("_headless",this.headless);this.setStringProperty("_restrict",'"'+this.access+'"');this.setBooleanProperty("_useCommandThread",this.useCommandThread)});c(c$,"getExportDriverList",function(){return this.haveAccess(JV.Viewer.ACCESS.ALL)? 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a=this.tm,b=a.fixedRotationCenter,d=a.getRotationQ();return{center:b,quaternion:d,xtrans:a.xTranslationFraction,ytrans:a.yTranslationFraction,scale:a.scalePixelsPerAngstrom,zoom:a.zmPctSet,cameraDistance:a.cameraDistance,pixelCount:a.screenPixelCount,perspective:a.perspectiveDepth,width:a.width,height:a.height}});c(c$,"setRotationRadius",function(a,b){b&&(a=this.tm.setRotationRadius(a, -!1));this.ms.setRotationRadius(this.am.cmi,a)&&this.g.setF("rotationRadius",a)},"~N,~B");c(c$,"setCenterBitSet",function(a,b){this.isJmolDataFrame()||this.tm.setNewRotationCenter(0d?"spin":"nav")+a,b)}},"~S,~N");c(c$,"getSpinState",function(){return this.getStateCreator().getSpinState(!1)});c(c$,"getOrientationText",function(a,b,d){switch(a){case 1312817669:case 1814695966:case 1073741864:case 1111492629:case 1111492630:case 1111492631:case 134221850:null== -d&&(d=this.bsA());if(d.isEmpty())return 1312817669==a?"0":1814695966==a?null:new JU.Quat;d=this.ms.getBoundBoxOrientation(a,d);return"best"===b&&1312817669!=a?d.div(this.tm.getRotationQ()):d;case 1073742034:return this.stm.getSavedOrientationText(b);default:return this.tm.getOrientationText(a,"best"===b)}},"~N,~S,JU.BS");c(c$,"getCurrentColorRange",function(){return this.cm.getPropertyColorRange()});c(c$,"setDefaultColors",function(a){this.cm.setDefaultColors(a);this.g.setB("colorRasmol",a);this.g.setO("defaultColorScheme", -a?"rasmol":"jmol")},"~B");c(c$,"setElementArgb",function(a,b){this.g.setO("=color "+JU.Elements.elementNameFromNumber(a),JU.Escape.escapeColor(b));this.cm.setElementArgb(a,b)},"~N,~N");h(c$,"setVectorScale",function(a){this.g.setF("vectorScale",a);this.g.vectorScale=a},"~N");h(c$,"setVibrationScale",function(a){this.tm.setVibrationScale(a);this.g.vibrationScale=a;this.g.setF("vibrationScale",a)},"~N");h(c$,"setVibrationPeriod",function(a){this.tm.setVibrationPeriod(a);a=Math.abs(a);this.g.vibrationPeriod= 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java.util.Hashtable);a.put("vwr",this);0=a?1:1*(this.g.zoomLarge==b>a?b:a)/this.getScreenDim());0this.screenWidth?this.screenHeight:this.screenWidth});c(c$,"setWidthHeightVar",function(){this.g.setI("_width",this.screenWidth);this.g.setI("_height",this.screenHeight)});c(c$,"getBoundBoxCenterX",function(){return w(this.screenWidth/2)});c(c$,"getBoundBoxCenterY",function(){return w(this.screenHeight/2)});c(c$,"updateWindow",function(a,b){if(!this.refreshing||this.creatingImage)return this.refreshing?!1:!JV.Viewer.isJS;(this.isTainted||this.tm.slabEnabled)&&this.setModelVisibility(); +this.isTainted=!1;null!=this.rm&&0!=a&&this.setScreenDimension(a,b);return!0},"~N,~N");c(c$,"getImage",function(a,b){var d=null;try{this.beginRendering(a,b),this.render(),this.gdata.endRendering(),d=this.gdata.getScreenImage(b)}catch(c){if(D(c,Error))this.gdata.getScreenImage(b),this.handleError(c,!1),this.setErrorMessage("Error during rendering: "+c,null);else if(D(c,Exception))System.out.println("render 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this.getScreenImageBuffer(null,!0)});h(c$,"getScreenImageBuffer",function(a,b){if(JV.Viewer.isWebGL)return b?this.apiPlatform.allocateRgbImage(0,0,null,0,!1,!0):null;var d=this.tm.stereoDoubleFull||this.tm.stereoDoubleDTI, +c=this.tm.stereoMode.isBiColor(),g=null==a&&d;c?(this.beginRendering(!0,b),this.render(),this.gdata.endRendering(),this.gdata.snapshotAnaglyphChannelBytes(),this.beginRendering(!1,b),this.render(),this.gdata.endRendering(),this.gdata.applyAnaglygh(this.tm.stereoMode,this.tm.stereoColors),c=this.gdata.getScreenImage(b)):c=this.getImage(d,b);var e=null;g&&(e=this.apiPlatform.newBufferedImage(c,this.tm.stereoDoubleDTI?this.screenWidth:this.screenWidth<<1,this.screenHeight),a=this.apiPlatform.getGraphics(e)); +null!=a&&(d&&(this.tm.stereoMode===J.c.STER.DTI?(this.drawImage(a,c,this.screenWidth>>1,0,!0),c=this.getImage(!1,!1),this.drawImage(a,c,0,0,!0),a=null):(this.drawImage(a,c,this.screenWidth,0,!1),c=this.getImage(!1,!1))),null!=a&&this.drawImage(a,c,0,0,!1));return g?e:c},"~O,~B");c(c$,"evalStringWaitStatusQueued",function(a,b,d,c,g){return 0==b.indexOf("JSCONSOLE")?(this.html5Applet._showInfo(0>b.indexOf("CLOSE")),0<=b.indexOf("CLEAR")&&this.html5Applet._clearConsole(),null):null==this.getScriptManager()? +null:this.scm.evalStringWaitStatusQueued(a,b,d,c,g)},"~S,~S,~S,~B,~B");c(c$,"popupMenu",function(a,b,d){if(this.haveDisplay&&this.refreshing&&!this.isPreviewOnly&&!this.g.disablePopupMenu)switch(d){case "j":try{this.getPopupMenu(),this.jmolpopup.jpiShow(a,b)}catch(c){JU.Logger.info(c.toString()),this.g.disablePopupMenu=!0}break;case "a":case "b":case "m":if(null==this.getModelkit(!0))break;this.modelkit.jpiShow(a,b)}},"~N,~N,~S");c(c$,"getModelkit",function(a){null==this.modelkit?this.modelkit=this.apiPlatform.getMenuPopup(null, +"m"):a&&this.modelkit.jpiUpdateComputedMenus();return this.modelkit},"~B");c(c$,"getPopupMenu",function(){return this.g.disablePopupMenu?null:null==this.jmolpopup&&(this.jmolpopup=this.allowScripting?this.apiPlatform.getMenuPopup(this.menuStructure,"j"):null,null==this.jmolpopup&&!this.async)?(this.g.disablePopupMenu=!0,null):this.jmolpopup.jpiGetMenuAsObject()});h(c$,"setMenu",function(a,b){b&&JU.Logger.info("Setting menu "+(0==a.length?"to Jmol defaults":"from file "+a));0==a.length?a=null:b&&(a= +this.getFileAsString3(a,!1,null));this.getProperty("DATA_API","setMenu",a);this.sm.setCallbackFunction("menu",a)},"~S,~B");c(c$,"setStatusFrameChanged",function(a){a&&(this.prevFrame=-2147483648);this.tm.setVibrationPeriod(NaN);var b=this.am.firstFrameIndex,d=this.am.lastFrameIndex,c=this.am.isMovie;a=this.am.cmi;b==d&&!c&&(a=b);var g=this.getModelFileNumber(a),e=this.am.cmi,j=g,h=g%1E6,l=c?b:this.getModelFileNumber(b),r=c?d:this.getModelFileNumber(d),n;c?n=""+(e+1):0==j?(n=this.getModelNumberDotted(b), +b!=d&&(n+=" - 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null!=this.scm&&this.scm.isScriptQueued()});c(c$,"notifyError",function(a,b,d){this.g.setO("_errormessage",d);this.sm.notifyError(a,b,d)},"~S,~S,~S");c(c$,"jsEval", +function(a){return""+this.sm.jsEval(a)},"~S");c(c$,"jsEvalSV",function(a){return JS.SV.getVariable(JV.Viewer.isJS?this.sm.jsEval(a):this.jsEval(a))},"~S");c(c$,"setFileLoadStatus",function(a,b,d,c,g,e){this.setErrorMessage(g,null);this.g.setI("_loadPoint",a.getCode());var j=a!==J.c.FIL.CREATING_MODELSET;j&&this.setStatusFrameChanged(!1,!1);this.sm.setFileLoadStatus(b,d,c,g,a.getCode(),j,e);j&&(this.doHaveJDX()&&this.getJSV().setModel(this.am.cmi),JV.Viewer.isJS&&this.updateJSView(this.am.cmi,-2))}, +"J.c.FIL,~S,~S,~S,~S,Boolean");c(c$,"getZapName",function(){return this.g.modelKitMode?"Jmol Model Kit":"zapped"});c(c$,"setStatusMeasuring",function(a,b,d,c){this.sm.setStatusMeasuring(a,b,d,c)},"~S,~N,~S,~N");c(c$,"notifyMinimizationStatus",function(){var a=this.getP("_minimizationStep"),b=this.getP("_minimizationForceField");this.sm.notifyMinimizationStatus(this.getP("_minimizationStatus"),s(a,String)?Integer.$valueOf(0):a,this.getP("_minimizationEnergy"),a.toString().equals("0")?Float.$valueOf(0): +this.getP("_minimizationEnergyDiff"),b)});c(c$,"setStatusAtomPicked",function(a,b,d,c){c&&this.setSelectionSet(JU.BSUtil.newAndSetBit(a));null==b&&(b=this.g.pickLabel,b=0==b.length?this.getAtomInfoXYZ(a,this.g.messageStyleChime):this.ms.getAtomInfo(a,b,this.ptTemp));this.setPicked(a,!1);0>a&&(c=this.getPendingMeasurement(),null!=c&&(b=b.substring(0,b.length-1)+',"'+c.getString()+'"]'));this.g.setO("_pickinfo",b);this.sm.setStatusAtomPicked(a,b,d);0>a||(1==this.sm.getSyncMode()&&this.doHaveJDX()&& +this.getJSV().atomPicked(a),JV.Viewer.isJS&&this.updateJSView(this.ms.at[a].mi,a))},"~N,~S,java.util.Map,~B");h(c$,"getProperty",function(a,b,d){if(!"DATA_API".equals(a))return this.getPropertyManager().getProperty(a,b,d);switch("scriptCheck.........consoleText.........scriptEditor........scriptEditorState...getAppConsole.......getScriptEditor.....setMenu.............spaceGroupInfo......disablePopupMenu....defaultDirectory....getPopupMenu........shapeManager........getPreference.......".indexOf(b)){case 0:return this.scriptCheckRet(d, +!0);case 20:return null==this.appConsole?"":this.appConsole.getText();case 40:return this.showEditor(d),null;case 60:return this.scriptEditorVisible=d.booleanValue(),null;case 80:return this.$isKiosk?this.appConsole=null:s(d,J.api.JmolAppConsoleInterface)?this.appConsole=d:null!=d&&!d.booleanValue()?this.appConsole=null:null==this.appConsole&&(null!=d&&d.booleanValue())&&(JV.Viewer.isJS&&(this.appConsole=J.api.Interface.getOption("consolejs.AppletConsole",this,"script")),null!=this.appConsole&&this.appConsole.start(this)), +this.scriptEditor=JV.Viewer.isJS||null==this.appConsole?null:this.appConsole.getScriptEditor(),this.appConsole;case 100:return null==this.appConsole&&(null!=d&&d.booleanValue())&&(this.getProperty("DATA_API","getAppConsole",Boolean.TRUE),this.scriptEditor=null==this.appConsole?null:this.appConsole.getScriptEditor()),this.scriptEditor;case 120:return null!=this.jmolpopup&&this.jmolpopup.jpiDispose(),this.jmolpopup=null,this.menuStructure=d;case 140:return this.getSymTemp().getSpaceGroupInfo(this.ms, +null,-1,!1,null);case 160:return this.g.disablePopupMenu=!0,null;case 180:return this.g.defaultDirectory;case 200:return s(d,String)?this.getMenu(d):this.getPopupMenu();case 220:return this.shm.getProperty(d);case 240:return this.sm.syncSend("getPreference",d,1)}JU.Logger.error("ERROR in getProperty DATA_API: "+b);return null},"~S,~S,~O");c(c$,"notifyMouseClicked",function(a,b,d,c){var g=JV.binding.Binding.getButtonMods(d),e=JV.binding.Binding.getClickCount(d);this.g.setI("_mouseX",a);this.g.setI("_mouseY", +this.screenHeight-b);this.g.setI("_mouseAction",d);this.g.setI("_mouseModifiers",g);this.g.setI("_clickCount",e);return this.sm.setStatusClicked(a,this.screenHeight-b,d,e,c)},"~N,~N,~N,~N");c(c$,"getOutputManager",function(){return null!=this.outputManager?this.outputManager:(this.outputManager=J.api.Interface.getInterface("JV.OutputManager"+(JV.Viewer.isJS?"JS":"Awt"),this,"file")).setViewer(this,this.privateKey)});c(c$,"getJzt",function(){return null==this.jzt?this.jzt=J.api.Interface.getInterface("JU.ZipTools", +this,"zip"):this.jzt});c(c$,"readFileAsMap",function(a,b,d){this.getJzt().readFileAsMap(a,b,d)},"java.io.BufferedInputStream,java.util.Map,~S");c(c$,"getZipDirectoryAsString",function(a){a=this.fm.getBufferedInputStreamOrErrorMessageFromName(a,a,!1,!1,null,!1,!0);return 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this.scm});c(c$,"checkOption2",function(a,b){return this.vwrOptions.containsKey(a)&&!this.vwrOptions.get(a).toString().equals("false")||0<=this.commandOptions.indexOf(b)},"~S,~S");c(c$,"setStartupBooleans",function(){this.setBooleanProperty("_applet",this.isApplet); +this.setBooleanProperty("_jspecview",!1);this.setBooleanProperty("_signedApplet",this.isSignedApplet);this.setBooleanProperty("_headless",this.headless);this.setStringProperty("_restrict",'"'+this.access+'"');this.setBooleanProperty("_useCommandThread",this.useCommandThread)});c(c$,"getExportDriverList",function(){return this.haveAccess(JV.Viewer.ACCESS.ALL)?this.g.getParameter("exportDrivers",!0):""});h(c$,"dispose",function(){this.gRight=null;null!=this.mouse&&(this.acm.dispose(),this.mouse.dispose(), 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JV.GlobalSettings(this,this.g,a);this.setStartupBooleans();this.setWidthHeightVar();this.haveDisplay&&(this.g.setB("_is2D",JV.Viewer.isJS&&!JV.Viewer.isWebGL),this.g.setB("_multiTouchClient",this.acm.isMTClient()), +this.g.setB("_multiTouchServer",this.acm.isMTServer()));this.cm.setDefaultColors(!1);this.setObjectColor("background","black");this.setObjectColor("axis1","red");this.setObjectColor("axis2","green");this.setObjectColor("axis3","blue");this.am.setAnimationOn(!1);this.am.setAnimationFps(this.g.animationFps);this.sm.playAudio(null);this.sm.allowStatusReporting=this.g.statusReporting;this.setBooleanProperty("antialiasDisplay",b?!0:this.g.antialiasDisplay);this.stm.resetLighting();this.tm.setDefaultPerspective()}, +"~B,~B");c(c$,"saveModelOrientation",function(){this.ms.saveModelOrientation(this.am.cmi,this.stm.getOrientation())});c(c$,"restoreModelOrientation",function(a){a=this.ms.getModelOrientation(a);null!=a&&a.restore(-1,!0)},"~N");c(c$,"restoreModelRotation",function(a){a=this.ms.getModelOrientation(a);null!=a&&a.restore(-1,!1)},"~N");c(c$,"getGLmolView",function(){var a=this.tm,b=a.fixedRotationCenter,d=a.getRotationQ();return{center:b,quaternion:d,xtrans:a.xTranslationFraction,ytrans:a.yTranslationFraction, +scale:a.scalePixelsPerAngstrom,zoom:a.zmPctSet,cameraDistance:a.cameraDistance,pixelCount:a.screenPixelCount,perspective:a.perspectiveDepth,width:a.width,height:a.height}});c(c$,"setRotationRadius",function(a,b){b&&(a=this.tm.setRotationRadius(a,!1));this.ms.setRotationRadius(this.am.cmi,a)&&this.g.setF("rotationRadius",a)},"~N,~B");c(c$,"setCenterBitSet",function(a,b){this.isJmolDataFrame()||this.tm.setNewRotationCenter(0d?"spin":"nav")+a,b)}},"~S,~N");c(c$,"getSpinState",function(){return this.getStateCreator().getSpinState(!1)});c(c$,"getOrientationText",function(a,b,d){switch(a){case 1312817669:case 1814695966:case 1073741864:case 1111492629:case 1111492630:case 1111492631:case 134221850:null==d&&(d=this.bsA());if(d.isEmpty())return 1312817669==a?"0":1814695966==a?null: +new JU.Quat;d=this.ms.getBoundBoxOrientation(a,d);return"best"===b&&1312817669!=a?d.div(this.tm.getRotationQ()):d;case 1073742034:return this.stm.getSavedOrientationText(b);default:return this.tm.getOrientationText(a,"best"===b)}},"~N,~S,JU.BS");c(c$,"getCurrentColorRange",function(){return this.cm.getPropertyColorRange()});c(c$,"setDefaultColors",function(a){this.cm.setDefaultColors(a);this.g.setB("colorRasmol",a);this.g.setO("defaultColorScheme",a?"rasmol":"jmol")},"~B");c(c$,"setElementArgb",function(a, +b){this.g.setO("=color "+JU.Elements.elementNameFromNumber(a),JU.Escape.escapeColor(b));this.cm.setElementArgb(a,b)},"~N,~N");h(c$,"setVectorScale",function(a){this.g.setF("vectorScale",a);this.g.vectorScale=a},"~N");h(c$,"setVibrationScale",function(a){this.tm.setVibrationScale(a);this.g.vibrationScale=a;this.g.setF("vibrationScale",a)},"~N");h(c$,"setVibrationPeriod",function(a){this.tm.setVibrationPeriod(a);a=Math.abs(a);this.g.vibrationPeriod=a;this.g.setF("vibrationPeriod",a)},"~N");c(c$,"setObjectColor", +function(a,b){null==b||0==b.length||this.setObjectArgb(a,JU.CU.getArgbFromString(b))},"~S,~S");c(c$,"setObjectVisibility",function(a,b){var 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JU.BS},"J.api.JmolScriptEvaluator,~O");c(c$,"processTwoPointGesture",function(a){this.mouse.processTwoPointGesture(a)},"~A");c(c$,"processMouseEvent",function(a,b,d,c,g){return this.mouse.processEvent(a, +b,d,c,g)},"~N,~N,~N,~N,~N");c(c$,"getRubberBandSelection",function(){return this.haveDisplay?this.acm.getRubberBand():null});c(c$,"isBound",function(a,b){return this.haveDisplay&&this.acm.bnd(a,[b])},"~N,~N");c(c$,"getCursorX",function(){return this.haveDisplay?this.acm.getCurrentX():0});c(c$,"getCursorY",function(){return this.haveDisplay?this.acm.getCurrentY():0});c(c$,"getDefaultDirectory",function(){return this.g.defaultDirectory});c(c$,"getLocalUrl",function(a){return this.apiPlatform.getLocalUrl(a)}, +"~S");c(c$,"getFileAsString",function(a){return this.getAsciiFileOrNull(a)},"~S");h(c$,"getBufferedInputStream",function(a){return this.fm.getBufferedInputStream(a)},"~S");c(c$,"setLoadParameters",function(a,b){null==a&&(a=new java.util.Hashtable);a.put("vwr",this);0a.indexOf("# Jmol state")){for(var f=2;0<=(g=a.indexOf(b,g+1));)f++;var j=Array(f),h=0,l=0;for(g=0;gh&&(h=a.length),j[g]=a.substring(l,h),l=h+b.length;return this.openStringsInlineParamsAppend(j,c,d)}return this.openStringInlineParamsAppend(a,c, +JU.Logger.info("loading model inline, "+a.length+" bytes, with newLine character "+b.charCodeAt(0)+" isAppend="+d);JU.Logger.debugging&&JU.Logger.debug(a);b=this.getDataSeparator();var g;if(null!=b&&""!==b&&0<=(g=a.indexOf(b))&&0>a.indexOf("# Jmol state")){for(var e=2;0<=(g=a.indexOf(b,g+1));)e++;var j=Array(e),h=0,l=0;for(g=0;gh&&(h=a.length),j[g]=a.substring(l,h),l=h+b.length;return this.openStringsInlineParamsAppend(j,c,d)}return this.openStringInlineParamsAppend(a,c, d)},"~S,~S,~B,java.util.Map");c$.fixInlineString=c(c$,"fixInlineString",function(a,b){var d;0<=a.indexOf("\\/n")&&(a=JU.PT.rep(a,"\n",""),a=JU.PT.rep(a,"\\/n","\n"),b=String.fromCharCode(0));if(0!=b.charCodeAt(0)&&"\n"!=b){var c=0<=a.indexOf("\n"),g=a.length;for(d=0;d":this.getFileAsString4(b,-1,!0,!1,!1,a)},"~S");c(c$,"getFullPathNameOrError",function(a){var b=Array(2);this.fm.getFullPathNameOrError(a,!1,b);return b},"~S");c(c$,"getFileAsString3",function(a,b,d){return this.getFileAsString4(a,-1,!1,!1,b,d)},"~S,~B,~S");c(c$,"getFileAsString4",function(a,b,d,c,g,f){if(null==a)return this.getCurrentFileAsString(f);a=A(-1,[a,null]);this.fm.getFileDataAsString(a,b,d,c,g);return a[1]}, -"~S,~N,~B,~B,~B,~S");c(c$,"getAsciiFileOrNull",function(a){a=A(-1,[a,null]);return this.fm.getFileDataAsString(a,-1,!1,!1,!1)?a[1]:null},"~S");c(c$,"autoCalculate",function(a,b){switch(a){case 1111490575:this.ms.getSurfaceDistanceMax();break;case 1111490574:this.ms.calculateStraightnessAll();break;case 1111490587:this.ms.calculateDssrProperty(b)}},"~N,~S");c(c$,"calculateStraightness",function(){this.ms.haveStraightness=!1;this.ms.calculateStraightnessAll()});c(c$,"calculateSurface",function(a,b){null== -a&&(a=this.bsA());if(3.4028235E38==b||-1==b)this.ms.addStateScript("calculate surfaceDistance "+(3.4028235E38==b?"FROM":"WITHIN"),null,a,null,"",!1,!0);return this.ms.calculateSurface(a,b)},"JU.BS,~N");c(c$,"getStructureList",function(){return this.g.getStructureList()});c(c$,"setStructureList",function(a,b){this.g.setStructureList(a,b);this.ms.setStructureList(this.getStructureList())},"~A,J.c.STR");c(c$,"calculateStructures",function(a,b,d,c){null==a&&(a=this.bsA());return this.ms.calculateStructures(a, -b,!this.am.animationOn,this.g.dsspCalcHydrogen,d,c)},"JU.BS,~B,~B,~N");c(c$,"getAnnotationParser",function(a){return a?null==this.dssrParser?this.dssrParser=J.api.Interface.getOption("dssx.DSSR1",this,"script"):this.dssrParser:null==this.annotationParser?this.annotationParser=J.api.Interface.getOption("dssx.AnnotationParser",this,"script"):this.annotationParser},"~B");h(c$,"getSelectedAtomIterator",function(a,b,d,c){return this.ms.getSelectedAtomIterator(a,b,d,!1,c)},"JU.BS,~B,~B,~B");h(c$,"setIteratorForAtom", -function(a,b,d){this.ms.setIteratorForAtom(a,-1,b,d,null)},"J.api.AtomIndexIterator,~N,~N");h(c$,"setIteratorForPoint",function(a,b,d,c){this.ms.setIteratorForPoint(a,b,d,c)},"J.api.AtomIndexIterator,~N,JU.T3,~N");h(c$,"fillAtomData",function(a,b){a.programInfo="Jmol Version "+JV.Viewer.getJmolVersion();a.fileName=this.fm.getFileName();this.ms.fillAtomData(a,b)},"J.atomdata.AtomData,~N");c(c$,"addStateScript",function(a,b,d){return this.ms.addStateScript(a,null,null,null,null,b,d)},"~S,~B,~B");c(c$, -"getMinimizer",function(a){return null==this.minimizer&&a?(this.minimizer=J.api.Interface.getInterface("JM.Minimizer",this,"script")).setProperty("vwr",this):this.minimizer},"~B");c(c$,"getSmilesMatcher",function(){return null==this.smilesMatcher?this.smilesMatcher=J.api.Interface.getInterface("JS.SmilesMatcher",this,"script"):this.smilesMatcher});c(c$,"clearModelDependentObjects",function(){this.setFrameOffsets(null,!1);this.stopMinimization();this.smilesMatcher=this.minimizer=null});c(c$,"zap", -function(a,b,d){this.clearThreads();null==this.mm.modelSet?this.mm.zap():(this.ligandModelSet=null,this.clearModelDependentObjects(),this.fm.clear(),this.clearRepaintManager(-1),this.am.clear(),this.tm.clear(),this.slm.clear(),this.clearAllMeasurements(),this.clearMinimization(),this.gdata.clear(),this.mm.zap(),null!=this.scm&&this.scm.clear(!1),null!=this.nmrCalculation&&this.getNMRCalculation().setChemicalShiftReference(null,0),this.haveDisplay&&(this.mouse.clear(),this.clearTimeouts(),this.acm.clear()), -this.stm.clear(this.g),this.tempArray.clear(),this.chainMap.clear(),this.chainList.clear(),this.chainCaseSpecified=!1,this.definedAtomSets.clear(),this.lastData=null,null!=this.dm&&this.dm.clear(),this.setBooleanProperty("legacyjavafloat",!1),b&&(d&&this.g.removeParam("_pngjFile"),d&&this.g.modelKitMode&&(this.openStringInlineParamsAppend("5\n\nC 0 0 0\nH .63 .63 .63\nH -.63 -.63 .63\nH -.63 .63 -.63\nH .63 -.63 -.63",null,!0),this.setRotationRadius(5,!0),this.setStringProperty("picking","assignAtom_C"), -this.setStringProperty("picking","assignBond_p")),this.undoClear()),System.gc());this.initializeModel(!1);a&&this.setFileLoadStatus(J.c.FIL.ZAPPED,null,b?"resetUndo":this.getZapName(),null,null,null);JU.Logger.debugging&&JU.Logger.checkMemory()},"~B,~B,~B");c(c$,"zapMsg",function(a){this.zap(!0,!0,!1);this.echoMessage(a)},"~S");c(c$,"echoMessage",function(a){this.shm.loadShape(31);this.setShapeProperty(31,"font",this.getFont3D("SansSerif","Plain",20));this.setShapeProperty(31,"target","error");this.setShapeProperty(31, 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603979967:this.g.translucent=d;break;case 603979818:this.g.cartoonLadders=d;break;case 603979968:b=this.g.twistedSheets;this.g.twistedSheets=d;b!=d&&this.checkCoordinatesChanged();break;case 603979821:this.gdata.setCel(d);break;case 603979817:this.g.cartoonFancy= -d;break;case 603979934:this.g.showTiming=d;break;case 603979973:this.g.vectorSymmetry=d;break;case 603979867:this.g.isosurfaceKey=d;break;case 603979893:this.g.partialDots=d;break;case 603979872:this.g.legacyAutoBonding=d;break;case 603979826:this.g.defaultStructureDSSP=d;break;case 603979834:this.g.dsspCalcHydrogen=d;break;case 603979782:(this.g.allowModelkit=d)||this.setModelKitMode(!1);break;case 603983903:this.setModelKitMode(d);break;case 603979887:this.g.multiProcessor=d&&1d.indexOf(""))&&this.showString(a+" = 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this.sm.functionXY(a,b,d);b=Math.abs(b);d=Math.abs(d);if(null==c){a=this.getDataObj(a,null,2);if(null!=a)return a;c=""}a=K(b,d,0);var g=K(b*d,0);JU.Parser.parseStringInfestedFloatArray(c,null,g);for(var f=c=0;ca||0==this.ms.ac)return null;a=this.getModelNumberDotted(a)}return this.getModelExtract(a,!0,!1,"V2000")},"~S");c(c$,"getNMRPredict",function(a){a=a.toUpperCase();if(a.equals("H")||a.equals("1H")||a.equals(""))a="H1";else if(a.equals("C")||a.equals("13C"))a="C13";if(!a.equals("NONE")){if(!a.equals("C13")&&!a.equals("H1"))return"Type must be H1 or C13";var b=this.getModelExtract("selected",!0,!1,"V2000"),d=b.indexOf("\n");if(0>d)return null;b="Jmol "+JV.Viewer.version_date+b.substring(d);if(this.isApplet)return this.showUrl(this.g.nmrUrlFormat+ -b),"opening "+this.g.nmrUrlFormat}this.syncScript("true","*",0);this.syncScript(a+"Simulate:",".",0);return"sending request to JSpecView"},"~S");c(c$,"getHelp",function(a){0>this.g.helpPath.indexOf("?")?(0d)return 0;this.clearModelDependentObjects();if(!b){this.sm.modifySend(d,this.ms.at[d].mi,4,"deleting atom "+this.ms.at[d].getAtomName());this.ms.deleteAtoms(a);var c=this.slm.deleteAtoms(a);this.setTainted(!0);this.sm.modifySend(d,this.ms.at[d].mi,-4,"OK");return c}return this.deleteModels(this.ms.at[d].mi,a)},"JU.BS,~B");c(c$,"deleteModels",function(a, -b){this.clearModelDependentObjects();this.sm.modifySend(-1,a,5,"deleting model "+this.getModelNumberDotted(a));this.setCurrentModelIndexClear(0,!1);this.am.setAnimationOn(!1);var d=JU.BSUtil.copy(this.slm.bsDeleted),c=null==b?JU.BSUtil.newAndSetBit(a):this.ms.getModelBS(b,!1),c=this.ms.deleteModels(c);this.slm.processDeletedModelAtoms(c);null!=this.eval&&this.eval.deleteAtomsInVariables(c);this.setAnimationRange(0,0);this.clearRepaintManager(-1);this.am.clear();this.am.initializePointers(1);this.setCurrentModelIndexClear(1< 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J.api.Interface.getSymmetry(this,"ms")});c(c$,"setWindowDimensions",function(a){this.resizeInnerPanel(C(a[0]),C(a[1]))},"~A");c(c$,"getTriangulator", +if(null==c)return"unknown file type";if(c.equals("spt"))return"cannot open script inline";b=this.setLoadParameters(b,d);var c=b.get("loadScript"),g=b.containsKey("isData");null==c&&(c=new JU.SB);d||this.zap(!0,!1,!1);g||this.getStateCreator().getInlineData(c,a,d,b.get("appendToModelIndex"),this.g.defaultLoadFilter);a=this.fm.createAtomSetCollectionFromString(a,b,d);return this.createModelSetAndReturnError(a,d,c,b)},"~S,java.util.Map,~B");c(c$,"openStringsInlineParamsAppend",function(a,b,d){var c= +new JU.SB;d||this.zap(!0,!1,!1);a=this.fm.createAtomSeCollectionFromStrings(a,c,this.setLoadParameters(b,d),d);return this.createModelSetAndReturnError(a,d,c,b)},"~A,java.util.Map,~B");c(c$,"getInlineChar",function(){return this.g.inlineNewlineChar});c(c$,"getDataSeparator",function(){return 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this.getFileAsString4(a,-1,!1,!1,b,d)},"~S,~B,~S");c(c$,"getFileAsString4",function(a,b, +d,c,g,e){if(null==a)return this.getCurrentFileAsString(e);a=v(-1,[a,null]);this.fm.getFileDataAsString(a,b,d,c,g);return a[1]},"~S,~N,~B,~B,~B,~S");c(c$,"getAsciiFileOrNull",function(a){a=v(-1,[a,null]);return this.fm.getFileDataAsString(a,-1,!1,!1,!1)?a[1]:null},"~S");c(c$,"autoCalculate",function(a,b){switch(a){case 1111490575:this.ms.getSurfaceDistanceMax();break;case 1111490574:this.ms.calculateStraightnessAll();break;case 1111490587:this.ms.calculateDssrProperty(b)}},"~N,~S");c(c$,"calculateStraightness", +function(){this.ms.haveStraightness=!1;this.ms.calculateStraightnessAll()});c(c$,"calculateSurface",function(a,b){null==a&&(a=this.bsA());if(3.4028235E38==b||-1==b)this.ms.addStateScript("calculate surfaceDistance "+(3.4028235E38==b?"FROM":"WITHIN"),null,a,null,"",!1,!0);return this.ms.calculateSurface(a,b)},"JU.BS,~N");c(c$,"getStructureList",function(){return 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553648150:return this.g.meshScale;case 553648153:return this.g.minPixelSelRadius;case 553648154:return this.g.percentVdwAtom;case 553648157:return this.g.pickingSpinRate; +case 553648166:return this.g.ribbonAspectRatio;case 536870922:return this.g.scriptDelay;case 553648152:return this.g.minimizationMaxAtoms;case 553648170:return this.g.smallMoleculeMaxAtoms;case 553648184:return this.g.strutSpacing;case 553648185:return this.g.vectorTrail}JU.Logger.error("viewer.getInt("+JS.T.nameOf(a)+") - not listed");return 0},"~N");c(c$,"getDelayMaximumMs",function(){return this.haveDisplay?this.g.delayMaximumMs:1});c(c$,"getHermiteLevel",function(){return this.tm.spinOn&&0d?JV.Viewer.checkIntRange(d,-10, +-1):JV.Viewer.checkIntRange(d,0,100);this.gdata.setSpecularPower(d);break;case 553648172:d=JV.Viewer.checkIntRange(-d,-10,-1);this.gdata.setSpecularPower(d);break;case 553648136:this.setMarBond(d);return;case 536870924:this.setBooleanPropertyTok(a,b,1==d);return;case 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603979891:this.g.nboCharges= +d;break;case 603979856:this.g.hiddenLinesDashed=d;break;case 603979886:this.g.multipleBondBananas=d;break;case 603979884:this.g.modulateOccupancy=d;break;case 603979874:this.g.legacyJavaFloat=d;break;case 603979927:this.g.showModVecs=d;break;case 603979937:this.g.showUnitCellDetails=d;break;case 603979848:c=!1;break;case 603979972:this.g.vectorsCentered=d;break;case 603979810:this.g.cartoonBlocks=d;break;case 603979811:this.g.cartoonSteps=d;break;case 603979818:this.g.cartoonRibose=d;break;case 603979837:this.g.ellipsoidArrows= +d;break;case 603979967:this.g.translucent=d;break;case 603979817:this.g.cartoonLadders=d;break;case 603979968:b=this.g.twistedSheets;this.g.twistedSheets=d;b!=d&&this.checkCoordinatesChanged();break;case 603979820:this.gdata.setCel(d);break;case 603979816:this.g.cartoonFancy=d;break;case 603979934:this.g.showTiming=d;break;case 603979973:this.g.vectorSymmetry=d;break;case 603979867:this.g.isosurfaceKey=d;break;case 603979893:this.g.partialDots=d;break;case 603979872:this.g.legacyAutoBonding=d;break; +case 603979826:this.g.defaultStructureDSSP=d;break;case 603979834:this.g.dsspCalcHydrogen=d;break;case 603979782:(this.g.allowModelkit=d)||this.setModelKitMode(!1);break;case 603983903:this.setModelKitMode(d);break;case 603979887:this.g.multiProcessor=d&&1d.indexOf(""))&&this.showString(a+" = "+d,!1)},"~S,~B,~N");c(c$,"showString",function(a,b){!JV.Viewer.isJS&&(this.isScriptQueued()&&(!this.isSilent||b)&&!"\x00".equals(a))&&JU.Logger.warn(a);this.scriptEcho(a)}, +"~S,~B");c(c$,"getAllSettings",function(a){return this.getStateCreator().getAllSettings(a)},"~S");c(c$,"getBindingInfo",function(a){return this.haveDisplay?this.acm.getBindingInfo(a):""},"~S");c(c$,"getIsosurfacePropertySmoothing",function(a){return a?this.g.isosurfacePropertySmoothingPower:this.g.isosurfacePropertySmoothing?1:0},"~B");c(c$,"setNavigationDepthPercent",function(a){this.tm.setNavigationDepthPercent(a);this.refresh(1,"set 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this.getPropertyManager().getModelFileInfo(null)});c(c$,"showEditor",function(a){var b=this.getProperty("DATA_API","getScriptEditor",Boolean.TRUE);null!=b&&b.show(a)}, +"~A");c(c$,"getPropertyManager",function(){null==this.pm&&(this.pm=J.api.Interface.getInterface("JV.PropertyManager",this,"prop")).setViewer(this);return this.pm});c(c$,"setTainted",function(a){this.isTainted=this.axesAreTainted=a&&(this.refreshing||this.creatingImage)},"~B");c(c$,"checkObjectClicked",function(a,b,d){return this.shm.checkObjectClicked(a,b,d,this.getVisibleFramesBitSet(),this.g.drawPicking)},"~N,~N,~N");c(c$,"checkObjectHovered",function(a,b){return 0<=a&&null!=this.shm&&this.shm.checkObjectHovered(a, +b,this.getVisibleFramesBitSet(),this.getBondsPickable())},"~N,~N");c(c$,"checkObjectDragged",function(a,b,d,c,g){var e=0;switch(this.getPickingMode()){case 2:e=5;break;case 4:e=22}return this.shm.checkObjectDragged(a,b,d,c,g,this.getVisibleFramesBitSet(),e)?(this.refresh(1,"checkObjectDragged"),22==e&&this.scriptEcho(this.getShapeProperty(22,"command")),!0):!1},"~N,~N,~N,~N,~N");c(c$,"rotateAxisAngleAtCenter",function(a,b,d,c,g,e,j){(a=this.tm.rotateAxisAngleAtCenter(a,b,d,c,g,e,j))&&this.setSync(); +return a},"J.api.JmolScriptEvaluator,JU.P3,JU.V3,~N,~N,~B,JU.BS");c(c$,"rotateAboutPointsInternal",function(a,b,d,c,g,e,j,h,l,r,n){null==a&&(a=this.eval);if(this.headless){if(e&&3.4028235E38==g)return!1;e=!1}(a=this.tm.rotateAboutPointsInternal(a,b,d,c,g,!1,e,j,!1,h,l,r,n))&&this.setSync();return a},"J.api.JmolScriptEvaluator,JU.P3,JU.P3,~N,~N,~B,JU.BS,JU.V3,JU.Lst,~A,JU.M4");c(c$,"startSpinningAxis",function(a,b,d){this.tm.spinOn||this.tm.navOn?(this.tm.setSpinOff(),this.tm.setNavOn(!1)):this.tm.rotateAboutPointsInternal(null, +a,b,this.g.pickingSpinRate,3.4028235E38,d,!0,null,!1,null,null,null,null)},"JU.T3,JU.T3,~B");c(c$,"getModelDipole",function(){return this.ms.getModelDipole(this.am.cmi)});c(c$,"calculateMolecularDipole",function(a){try{return this.ms.calculateMolecularDipole(this.am.cmi,a)}catch(b){if(D(b,JV.JmolAsyncException))return null!=this.eval&&this.eval.loadFileResourceAsync(b.getFileName()),null;throw b;}},"JU.BS");c(c$,"setDefaultLattice",function(a){Float.isNaN(a.x+a.y+a.z)||this.g.ptDefaultLattice.setT(a); +this.g.setO("defaultLattice",JU.Escape.eP(a))},"JU.P3");c(c$,"getDefaultLattice",function(){return this.g.ptDefaultLattice});c(c$,"getModelExtract",function(a,b,d,c){return this.getPropertyManager().getModelExtract(this.getAtomBitSet(a),b,d,c,!1)},"~O,~B,~B,~S");h(c$,"getData",function(a,b){return this.getModelFileData(a,b,!0)},"~S,~S");c(c$,"getModelFileData",function(a,b,d){return this.getPropertyManager().getAtomData(a,b,d)},"~S,~S,~B");c(c$,"getModelCml",function(a,b,d,c){return this.getPropertyManager().getModelCml(a, +b,d,c,!1)},"JU.BS,~N,~B,~B");c(c$,"getPdbAtomData",function(a,b,d,c){return this.getPropertyManager().getPdbAtomData(null==a?this.bsA():a,b,d,c,!1)},"JU.BS,JU.OC,~B,~B");c(c$,"isJmolDataFrame",function(){return this.ms.isJmolDataFrameForModel(this.am.cmi)});c(c$,"setFrameTitle",function(a,b){this.ms.setFrameTitle(JU.BSUtil.newAndSetBit(a),b)},"~N,~S");c(c$,"setFrameTitleObj",function(a){this.shm.loadShape(31);this.ms.setFrameTitle(this.getVisibleFramesBitSet(),a)},"~O");c(c$,"getFrameTitle",function(){return this.ms.getFrameTitle(this.am.cmi)}); +c(c$,"setAtomProperty",function(a,b,d,c,g,e,j){1648363544==b&&this.shm.deleteVdwDependentShapes(a);this.clearMinimization();this.ms.setAtomProperty(a,b,d,c,g,e,j);switch(b){case 1111492609:case 1111492610:case 1111492611:case 1111492612:case 1111492613:case 1111492614:case 1111490577:case 1111490578:case 1111490579:case 1086326789:this.refreshMeasures(!0)}},"JU.BS,~N,~N,~N,~S,~A,~A");c(c$,"checkCoordinatesChanged",function(){this.ms.recalculatePositionDependentQuantities(null,null);this.refreshMeasures(!0)}); +c(c$,"setAtomCoords",function(a,b,d){a.isEmpty()||(this.ms.setAtomCoords(a,b,d),this.checkMinimization(),this.sm.setStatusAtomMoved(a))},"JU.BS,~N,~O");c(c$,"setAtomCoordsRelative",function(a,b){null==b&&(b=this.bsA());b.isEmpty()||(this.ms.setAtomCoordsRelative(a,b),this.checkMinimization(),this.sm.setStatusAtomMoved(b))},"JU.T3,JU.BS");c(c$,"invertAtomCoordPt",function(a,b){this.ms.invertSelected(a,null,-1,b);this.checkMinimization();this.sm.setStatusAtomMoved(b)},"JU.P3,JU.BS");c(c$,"invertAtomCoordPlane", +function(a,b){this.ms.invertSelected(null,a,-1,b);this.checkMinimization();this.sm.setStatusAtomMoved(b)},"JU.P4,JU.BS");c(c$,"invertRingAt",function(a,b){var d=this.getAtomBitSet("connected(atomIndex="+a+") and !within(SMARTS,'[r50,R]')"),c=d.cardinality();switch(c){case 0:case 1:return;case 3:case 4:for(var g=A(c,0),e=A(c,0),j=0,h=d.nextSetBit(0);0<=h;h=d.nextSetBit(h+1),j++)g[j]=this.getBranchBitSet(h,a,!0).cardinality(),e[j]=h;for(j=0;j=l&& +d.get(e[h])&&(r=e[h],l=g[h]);d.clear(r)}}b&&this.undoMoveActionClear(a,2,!0);this.invertSelected(null,null,a,d);b&&this.setStatusAtomPicked(a,"inverted: "+JU.Escape.eBS(d),null,!1)},"~N,~B");c(c$,"invertSelected",function(a,b,d,c){null==c&&(c=this.bsA());0!=c.cardinality()&&(this.ms.invertSelected(a,b,d,c),this.checkMinimization(),this.sm.setStatusAtomMoved(c))},"JU.P3,JU.P4,~N,JU.BS");c(c$,"moveAtoms",function(a,b,d,c,g,e,j,h){j.isEmpty()||(this.ms.moveAtoms(a,b,d,c,j,g,e,h),this.checkMinimization(), +this.sm.setStatusAtomMoved(j))},"JU.M4,JU.M3,JU.M3,JU.V3,JU.P3,~B,JU.BS,~B");c(c$,"moveSelected",function(a,b,d,c,g,e,j,h,l){0!=d&&(-2147483648==c&&this.setModelKitRotateBondIndex(-2147483648),this.isJmolDataFrame()||(-2147483648==a?(this.showSelected=!0,this.movableBitSet=this.setMovableBitSet(null,!h),this.shm.loadShape(8),this.refresh(6,"moveSelected")):2147483647==a?this.showSelected&&(this.showSelected=!1,this.movableBitSet=null,this.refresh(6,"moveSelected")):this.movingSelected||(this.movingSelected= +!0,this.stopMinimization(),-2147483648!=c&&null!=this.modelkit&&null!=this.modelkit.getProperty("rotateBondIndex")?this.modelkit.actionRotateBond(a,b,c,g,0!=(l&16)):(e=this.setMovableBitSet(e,!h),e.isEmpty()||(j?(c=this.ms.getAtomSetCenter(e),this.tm.finalizeTransformParameters(),g=this.g.antialiasDisplay?2:1,j=this.tm.transformPt(c),a=-2147483648!=d?JU.P3.new3(j.x,j.y,j.z+d+0.5):JU.P3.new3(j.x+a*g+0.5,j.y+b*g+0.5,j.z),b=new JU.P3,this.tm.unTransformPoint(a,b),b.sub(c),this.setAtomCoordsRelative(b, +e)):this.tm.rotateXYBy(a,b,e))),this.refresh(2,""),this.movingSelected=!1)))},"~N,~N,~N,~N,~N,JU.BS,~B,~B,~N");c(c$,"highlightBond",function(a,b,d,c){if(this.hoverEnabled){var g=null;if(0<=a){b=this.ms.bo[a];g=b.atom2.i;if(!this.ms.isAtomInLastModel(g))return;g=JU.BSUtil.newAndSetBit(g);g.set(b.atom1.i)}this.highlight(g);this.setModelkitProperty("bondIndex",Integer.$valueOf(a));this.setModelkitProperty("screenXY",A(-1,[d,c]));a=this.setModelkitProperty("hoverLabel",Integer.$valueOf(-2-a));null!=a&& +this.hoverOnPt(d,c,a,null,null);this.refresh(3,"highlightBond")}},"~N,~N,~N,~N");c(c$,"highlight",function(a){this.atomHighlighted=null!=a&&1==a.cardinality()?a.nextSetBit(0):-1;null==a?this.setCursor(0):(this.shm.loadShape(8),this.setCursor(12));this.setModelkitProperty("highlight",a);this.setShapeProperty(8,"highlight",a)},"JU.BS");c(c$,"refreshMeasures",function(a){this.setShapeProperty(6,"refresh",null);a&&this.stopMinimization()},"~B");c(c$,"functionXY",function(a,b,d){var c=null;if(0==a.indexOf("file:"))c= +this.getFileAsString3(a.substring(5),!1,null);else if(0!=a.indexOf("data2d_"))return this.sm.functionXY(a,b,d);b=Math.abs(b);d=Math.abs(d);if(null==c){a=this.getDataObj(a,null,2);if(null!=a)return a;c=""}a=K(b,d,0);var g=K(b*d,0);JU.Parser.parseStringInfestedFloatArray(c,null,g);for(var e=c=0;ca||0==this.ms.ac)return null;a=this.getModelNumberDotted(a)}return this.getModelExtract(a,!0,!1,"V2000")},"~S");c(c$,"getNMRPredict",function(a){a= +a.toUpperCase();if(a.equals("H")||a.equals("1H")||a.equals(""))a="H1";else if(a.equals("C")||a.equals("13C"))a="C13";if(!a.equals("NONE")){if(!a.equals("C13")&&!a.equals("H1"))return"Type must be H1 or C13";var b=this.getModelExtract("selected",!0,!1,"V2000"),d=b.indexOf("\n");if(0>d)return null;b="Jmol "+JV.Viewer.version_date+b.substring(d);if(this.isApplet)return this.showUrl(this.g.nmrUrlFormat+b),"opening "+this.g.nmrUrlFormat}this.syncScript("true","*",0);this.syncScript(a+"Simulate:",".",0); +return"sending request to JSpecView"},"~S");c(c$,"getHelp",function(a){0>this.g.helpPath.indexOf("?")?(0d)return 0;this.clearModelDependentObjects();var c=this.ms.at[d];if(null==c)return 0;var g=c.mi;return!b?(this.sm.modifySend(d,c.mi,4,"deleting atom "+c.getAtomName()), +this.ms.deleteAtoms(a),c=this.slm.deleteAtoms(a),this.setTainted(!0),this.sm.modifySend(d,g,-4,"OK"),c):this.deleteModels(g,a)},"JU.BS,~B");c(c$,"deleteModels",function(a,b){this.clearModelDependentObjects();this.sm.modifySend(-1,a,5,"deleting model "+this.getModelNumberDotted(a));var d=this.am.cmi;this.setCurrentModelIndexClear(0,!1);this.am.setAnimationOn(!1);var c=JU.BSUtil.copy(this.slm.bsDeleted),g=null==b?JU.BSUtil.newAndSetBit(a):this.ms.getModelBS(b,!1),g=this.ms.deleteModels(g);if(null== +g)return this.setCurrentModelIndexClear(d,!1),0;this.slm.processDeletedModelAtoms(g);null!=this.eval&&this.eval.deleteAtomsInVariables(g);this.setAnimationRange(0,0);this.clearRepaintManager(-1);this.am.clear();this.am.initializePointers(1);this.setCurrentModelIndexClear(1this.currentShapeID)return"";this.shm.releaseShape(this.currentShapeID);this.clearRepaintManager(this.currentShapeID);return JV.JC.getShapeClassName(this.currentShapeID, +!1)+" "+this.currentShapeState});c(c$,"handleError",function(a,b){try{b&&this.zapMsg(""+a),this.undoClear(),0==JU.Logger.getLogLevel()&&JU.Logger.setLogLevel(4),this.setCursor(0),this.setBooleanProperty("refreshing",!0),this.fm.setPathForAllFiles(""),JU.Logger.error("vwr handling error condition: "+a+" "),this.notifyError("Error","doClear="+b+"; "+a,""+a)}catch(d){try{JU.Logger.error("Could not notify error "+a+": due to "+d)}catch(c){}}},"Error,~B");c(c$,"getFunctions",function(a){return a?JV.Viewer.staticFunctions: +this.localFunctions},"~B");c(c$,"removeFunction",function(a){a=a.toLowerCase();null!=this.getFunction(a)&&(JV.Viewer.staticFunctions.remove(a),this.localFunctions.remove(a))},"~S");c(c$,"getFunction",function(a){if(null==a)return null;a=(JV.Viewer.isStaticFunction(a)?JV.Viewer.staticFunctions:this.localFunctions).get(a);return null==a||null==a.geTokens()?null:a},"~S");c$.isStaticFunction=c(c$,"isStaticFunction",function(a){return a.startsWith("static_")},"~S");c(c$,"isFunction",function(a){return(JV.Viewer.isStaticFunction(a)? +JV.Viewer.staticFunctions:this.localFunctions).containsKey(a)},"~S");c(c$,"clearFunctions",function(){JV.Viewer.staticFunctions.clear();this.localFunctions.clear()});c(c$,"addFunction",function(a){var b=a.getName();(JV.Viewer.isStaticFunction(b)?JV.Viewer.staticFunctions:this.localFunctions).put(b,a)},"J.api.JmolScriptFunction");c(c$,"getFunctionCalls",function(a){return this.getStateCreator().getFunctionCalls(a)},"~S");c(c$,"checkPrivateKey",function(a){return a==this.privateKey},"~N");c(c$,"bindAction", +function(a,b){this.haveDisplay&&this.acm.bind(a,b)},"~S,~S");c(c$,"unBindAction",function(a,b){this.haveDisplay&&this.acm.unbindAction(a,b)},"~S,~S");c(c$,"calculateStruts",function(a,b){return this.ms.calculateStruts(null==a?this.bsA():a,null==b?this.bsA():b)},"JU.BS,JU.BS");c(c$,"getPreserveState",function(){return this.g.preserveState&&null!=this.scm});c(c$,"isKiosk",function(){return this.$isKiosk});c(c$,"hasFocus",function(){return this.haveDisplay&&(this.$isKiosk||this.apiPlatform.hasFocus(this.display))}); +c(c$,"setFocus",function(){this.haveDisplay&&!this.apiPlatform.hasFocus(this.display)&&this.apiPlatform.requestFocusInWindow(this.display)});c(c$,"stopMinimization",function(){null!=this.minimizer&&this.minimizer.setProperty("stop",null)});c(c$,"clearMinimization",function(){null!=this.minimizer&&this.minimizer.setProperty("clear",null)});c(c$,"getMinimizationInfo",function(){return null==this.minimizer?"":this.minimizer.getProperty("log",0)});c(c$,"checkMinimization",function(){this.refreshMeasures(!0); +if(this.g.monitorEnergy){try{this.minimize(null,0,0,this.getAllAtoms(),null,0,1)}catch(a){if(!D(a,Exception))throw a;}this.echoMessage(this.getP("_minimizationForceField")+" Energy = "+this.getP("_minimizationEnergy"))}});c(c$,"minimize",function(a,b,d,c,g,e,j){var h=1==(j&1),l=4==(j&4),r=0==(j&16),n=8==(j&8),q=this.g.forceField,m=this.getFrameAtoms();null==c?c=this.getModelUndeletedAtomsBitSet(this.getVisibleFramesBitSet().nextSetBit(0)):l||c.and(m);l&&(this.getAuxiliaryInfoForAtoms(c).put("dimension", +"3D"),m=c);0>=e&&(e=5);g=JU.BSUtil.copy(null==g?this.slm.getMotionFixedAtoms():g);var p=0this.g.minimizationMaxAtoms)this.scriptStatusMsg("Too many atoms for minimization ("+n+">"+this.g.minimizationMaxAtoms+"); use 'set minimizationMaxAtoms' to increase this limit","minimization: too many atoms");else try{h||JU.Logger.info("Minimizing "+c.cardinality()+" atoms"),this.getMinimizer(!0).minimize(b,d,c,g,j,l?"MMFF":q),l&&(this.g.forceField="MMFF",this.setHydrogens(c),this.showString("Minimized by Jmol", +!1))}catch(t){if(D(t,JV.JmolAsyncException))null!=a&&a.loadFileResourceAsync(t.getFileName());else if(D(t,Exception))a=t,JU.Logger.error("Minimization error: "+a.toString()),a.printStackTrace();else throw t;}}},"J.api.JmolScriptEvaluator,~N,~N,JU.BS,JU.BS,~N,~N");c(c$,"setHydrogens",function(a){for(var b=A(1,0),b=this.ms.calculateHydrogens(a,b,null,2052),d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1)){var c=b[d];if(!(null==c||0==c.length))for(var g=this.ms.at[d],e=g.bonds,j=0,h=0,l=g.getBondCount();j< +l;j++){var r=e[j].getOtherAtom(g);if(1==r.getAtomicAndIsotopeNumber()){var n=c[h++];this.ms.setAtomCoord(r.i,n.x,n.y,n.z)}}}this.ms.resetMolecules()},"JU.BS");c(c$,"setMotionFixedAtoms",function(a){this.slm.setMotionFixedAtoms(a)},"JU.BS");c(c$,"getMotionFixedAtoms",function(){return this.slm.getMotionFixedAtoms()});c(c$,"getAtomicPropertyState",function(a,b,d,c,g){this.getStateCreator().getAtomicPropertyStateBuffer(a,b,d,c,g)},"JU.SB,~N,JU.BS,~S,~A");c(c$,"getCenterAndPoints",function(a,b){return this.ms.getCenterAndPoints(a, +b)},"JU.Lst,~B");c(c$,"writeFileData",function(a,b,d,c){return this.getOutputManager().writeFileData(a,b,d,c)},"~S,~S,~N,~A");c(c$,"getPdbData",function(a,b,d,c,g,e){return this.getPropertyManager().getPdbData(a,b,null==d?this.bsA():d,c,g,e)},"~N,~S,JU.BS,~A,JU.OC,~B");c(c$,"getGroupsWithin",function(a,b){return this.ms.getGroupsWithin(a,b)},"~N,JU.BS");c(c$,"setShapeSize",function(a,b,d){null==d&&(d=this.bsA());this.shm.setShapeSizeBs(a,b,null,d)},"~N,~N,JU.BS");c(c$,"setShapeProperty",function(a, +b,d){0<=a&&this.shm.setShapePropertyBs(a,b,d,null)},"~N,~S,~O");c(c$,"getShapeProperty",function(a,b){return this.shm.getShapePropertyIndex(a,b,-2147483648)},"~N,~S");c(c$,"getShapePropertyAsInt",function(a,b){var d=this.getShapeProperty(a,b);return null==d||!s(d,Integer)?-2147483648:d.intValue()},"~N,~S");c(c$,"setModelVisibility",function(){null!=this.shm&&this.shm.setModelVisibility()});c(c$,"resetShapes",function(a){this.shm.resetShapes();a&&(this.shm.loadDefaultShapes(this.ms),this.clearRepaintManager(-1))}, +"~B");c(c$,"setParallel",function(a){return this.$isParallel=this.g.multiProcessor&&a},"~B");c(c$,"isParallel",function(){return this.g.multiProcessor&&this.$isParallel});c(c$,"undoClear",function(){this.actionStates.clear();this.actionStatesRedo.clear()});c(c$,"undoMoveAction",function(a,b){this.getStateCreator().undoMoveAction(a,b)},"~N,~N");c(c$,"undoMoveActionClear",function(a,b,d){this.g.preserveState&&this.getStateCreator().undoMoveActionClear(a,b,d)},"~N,~N,~B");c(c$,"moveAtomWithHydrogens", +function(a,b,d,c,g){this.stopMinimization();if(null==g){var e=this.ms.at[a];g=JU.BSUtil.newAndSetBit(a);a=e.bonds;if(null!=a)for(var j=0;jb||0>d?a=this.bsA():(1048576== +(c&1048576)&&(b>d&&(a=b,b=d,d=a),b=j[b].group.firstAtomIndex,d=j[d].group.lastAtomIndex),a=new JU.BS,a.setBits(b,d+1)));c|=this.isModel2D(a)?134217728:0;b=this.getSmilesMatcher();return JV.JC.isSmilesCanonical(g)?(c=b.getSmiles(j,this.ms.ac,a,"/noAromatic/",c),this.getChemicalInfo(c,"smiles",null).trim()):b.getSmiles(j,this.ms.ac,a,e,c)},"JU.BS,~N,~N,~N,~S");c(c$,"isModel2D",function(a){a=this.getModelForAtomIndex(a.nextSetBit(0));return null!=a&&"2D".equals(a.auxiliaryInfo.get("dimension"))},"JU.BS"); +c(c$,"alert",function(a){this.prompt(a,null,null,!0)},"~S");c(c$,"prompt",function(a,b,d,c){return this.$isKiosk?"null":this.apiPlatform.prompt(a,b,d,c)},"~S,~S,~A,~B");c(c$,"dialogAsk",function(a,b){return prompt(a,b)},"~S,~S,java.util.Map");c(c$,"initializeExporter",function(a){var b=a.get("type").equals("JS");if(b){if(null!=this.jsExporter3D)return this.jsExporter3D.initializeOutput(this,this.privateKey,a),this.jsExporter3D}else{var d=a.get("fileName"),c=a.get("fullPath"),d=this.getOutputChannel(d, +c);if(null==d)return null;a.put("outputChannel",d)}d=J.api.Interface.getOption("export.Export3D",this,"export");if(null==d)return 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n=0>e?c.getXVal():Double.$valueOf(d.get(e)).doubleValue(),q=0>j?c.getYVal():Double.$valueOf(d.get(j)).doubleValue(),m=0>h?c.getColor():a.getColor1(JU.CU.getArgbFromString(d.get(h))),p;0>l?p=c.text:(p=d.get(l),'"'==p.charAt(0)&&(p=p.substring(1,p.length-1)));return(new JSV.common.ColoredAnnotation).setCA(n,q,b,p,m,!1,!1,0,0)}catch(s){if(D(s,Exception))return null;throw s;}},"J.api.GenericGraphics,JSV.common.Spectrum,JU.Lst,JSV.common.Annotation"); +N(self.c$);c$=E(JSV.common.Annotation,"AType",Enum);z(c$,"Integration",0,[]);z(c$,"PeakList",1,[]);z(c$,"Measurements",2,[]);z(c$,"OverlayLegend",3,[]);z(c$,"Views",4,[]);z(c$,"NONE",5,[]);c$=M()});m("JSV.common");x(["JSV.common.Annotation"],"JSV.common.ColoredAnnotation",null,function(){c$=u(function(){this.color=null;t(this,arguments)},JSV.common,"ColoredAnnotation",JSV.common.Annotation);c(c$,"getColor",function(){return this.color});p(c$,function(){H(this,JSV.common.ColoredAnnotation,[])});c(c$, +"setCA",function(a,b,d,c,g,e,j,h,l){this.setA(a,b,d,c,e,j,h,l);this.color=g;return this},"~N,~N,JSV.common.Spectrum,~S,javajs.api.GenericColor,~B,~B,~N,~N")});m("JSV.common");x(["JSV.common.Parameters"],"JSV.common.ColorParameters",["java.util.Hashtable","$.StringTokenizer","JU.CU","$.Lst","JSV.common.ScriptToken"],function(){c$=u(function(){this.plotColors=this.elementColors=this.displayFontName=this.titleFontName=null;this.isDefault=!1;t(this,arguments)},JSV.common,"ColorParameters",JSV.common.Parameters); +p(c$,function(){H(this,JSV.common.ColorParameters,[]);JSV.common.ColorParameters.BLACK=this.getColor3(0,0,0);JSV.common.ColorParameters.RED=this.getColor3(255,0,0);JSV.common.ColorParameters.LIGHT_GRAY=this.getColor3(200,200,200);JSV.common.ColorParameters.DARK_GRAY=this.getColor3(80,80,80);JSV.common.ColorParameters.BLUE=this.getColor3(0,0,255);JSV.common.ColorParameters.WHITE=this.getColor3(255,255,255);this.elementColors=new java.util.Hashtable;this.setColor(JSV.common.ScriptToken.TITLECOLOR,JSV.common.ColorParameters.BLACK); +this.setColor(JSV.common.ScriptToken.UNITSCOLOR,JSV.common.ColorParameters.RED);this.setColor(JSV.common.ScriptToken.SCALECOLOR,JSV.common.ColorParameters.BLACK);this.setColor(JSV.common.ScriptToken.COORDINATESCOLOR,JSV.common.ColorParameters.RED);this.setColor(JSV.common.ScriptToken.GRIDCOLOR,JSV.common.ColorParameters.LIGHT_GRAY);this.setColor(JSV.common.ScriptToken.PLOTCOLOR,JSV.common.ColorParameters.BLUE);this.setColor(JSV.common.ScriptToken.PLOTAREACOLOR,JSV.common.ColorParameters.WHITE);this.setColor(JSV.common.ScriptToken.BACKGROUNDCOLOR, +this.getColor3(192,192,192));this.setColor(JSV.common.ScriptToken.INTEGRALPLOTCOLOR,JSV.common.ColorParameters.RED);this.setColor(JSV.common.ScriptToken.PEAKTABCOLOR,JSV.common.ColorParameters.RED);this.setColor(JSV.common.ScriptToken.HIGHLIGHTCOLOR,JSV.common.ColorParameters.DARK_GRAY);for(var a=0;8>a;a++)JSV.common.ColorParameters.defaultPlotColors[a]=this.getColorFromString(JSV.common.ColorParameters.defaultPlotColorNames[a]);this.plotColors=Array(8);System.arraycopy(JSV.common.ColorParameters.defaultPlotColors, +0,this.plotColors,0,8)});c(c$,"setFor",function(a,b,d){null==b&&(b=this);d&&a.getPanelData().setBooleans(b,null);a=a.getPanelData();null!=a.getCurrentPlotColor(1)&&a.setPlotColors(this.plotColors);a.setColorOrFont(b,null)},"JSV.api.JSVPanel,JSV.common.ColorParameters,~B");c(c$,"set",function(a,b,d){var c=null;switch(b){default:this.setP(a,b,d);return;case JSV.common.ScriptToken.PLOTCOLORS:null==a?this.getPlotColors(d):a.setPlotColors(this.getPlotColors(d));return;case JSV.common.ScriptToken.BACKGROUNDCOLOR:case JSV.common.ScriptToken.COORDINATESCOLOR:case JSV.common.ScriptToken.GRIDCOLOR:case JSV.common.ScriptToken.HIGHLIGHTCOLOR:case JSV.common.ScriptToken.INTEGRALPLOTCOLOR:case JSV.common.ScriptToken.PEAKTABCOLOR:case JSV.common.ScriptToken.PLOTAREACOLOR:case JSV.common.ScriptToken.PLOTCOLOR:case JSV.common.ScriptToken.SCALECOLOR:case JSV.common.ScriptToken.TITLECOLOR:case JSV.common.ScriptToken.UNITSCOLOR:c= this.setColorFromString(b,d);break;case JSV.common.ScriptToken.TITLEFONTNAME:case JSV.common.ScriptToken.DISPLAYFONTNAME:c=this.getFontName(b,d)}null!=a&&null!=c&&a.setColorOrFont(this,b)},"JSV.common.PanelData,JSV.common.ScriptToken,~S");c(c$,"getElementColor",function(a){return this.elementColors.get(a)},"JSV.common.ScriptToken");c(c$,"setColor",function(a,b){null!=b&&this.elementColors.put(a,b);return b},"JSV.common.ScriptToken,javajs.api.GenericColor");c(c$,"copy",function(){return this.copy(this.name)}); c(c$,"setElementColors",function(a){this.displayFontName=a.displayFontName;var b;for(a=a.elementColors.entrySet().iterator();a.hasNext()&&((b=a.next())||1);)this.setColor(b.getKey(),b.getValue());return this},"JSV.common.ColorParameters");c(c$,"getColorFromString",function(a){return this.getColor1(JU.CU.getArgbFromString(a))},"~S");c(c$,"getPlotColors",function(a){if(null==a)return this.plotColors[0]=this.getElementColor(JSV.common.ScriptToken.PLOTCOLOR),this.plotColors;a=new java.util.StringTokenizer(a, ",;.- ");var b=new JU.Lst;try{for(;a.hasMoreTokens();)b.addLast(this.getColorFromString(a.nextToken()))}catch(d){if(D(d,Exception))return null;throw d;}return b.toArray(Array(b.size()))},"~S");c(c$,"setColorFromString",function(a,b){return this.setColor(a,this.getColorFromString(b))},"JSV.common.ScriptToken,~S");c(c$,"getFontName",function(a,b){var d=this.isValidFontName(b);switch(a){case JSV.common.ScriptToken.TITLEFONTNAME:return d?this.titleFontName=b:this.titleFontName;case JSV.common.ScriptToken.DISPLAYFONTNAME:return d? -this.displayFontName=b:this.displayFontName}return null},"JSV.common.ScriptToken,~S");F(c$,"BLACK",null,"RED",null,"LIGHT_GRAY",null,"DARK_GRAY",null,"BLUE",null,"WHITE",null);c$.defaultPlotColors=c$.prototype.defaultPlotColors=Array(8);c$.defaultPlotColorNames=c$.prototype.defaultPlotColorNames=A(-1,"black darkGreen darkred orange magenta cyan maroon darkGray".split(" "))});r("JSV.common");c$=E(JSV.common,"CoordComparator",null,java.util.Comparator);h(c$,"compare",function(a,b){return a.getXVal()> -b.getXVal()?1:a.getXVal()=b&&JSV.common.Coordinate.getMaxY(a,0,a.length-1)>=d},"~A,~N,~N");c$.normalise=c(c$,"normalise",function(a,b,d){var c=Array(a.length),g=JSV.common.Coordinate.getMinY(a,0,a.length-1);d=(JSV.common.Coordinate.getMaxY(a,0,a.length-1)-g)/(d-b);for(var f=0;fa.length||0>b)){switch(j){case 0:g=a[a.length-b].getXVal()-g*f;break;case 1:g=d-g*f;break;case 2:g=c+g}for(d=0;dc&&(c=g)}return c},"~A,~N,~N");c$.getMaxX=c(c$,"getMaxX",function(a,b){for(var d=-1.7976931348623157E308,c=0;cd&&(d=g)}return d},"JU.Lst,JSV.common.ViewData");c$.getMinY=c(c$,"getMinY",function(a,b,d){for(var c=1.7976931348623157E308;b<=d;b++){var g=a[b].getYVal();gc&&(c=g)}return c},"~A,~N,~N");c$.getMaxYUser=c(c$,"getMaxYUser",function(a,b){for(var d=-1.7976931348623157E308,c=0;cd&&(d=g)}return d},"JU.Lst,JSV.common.ViewData");c$.getYValueAt=c(c$,"getYValueAt",function(a,b){var d=JSV.common.Coordinate.getNearestIndexForX(a,b);if(0==d||d==a.length)return NaN;var c=a[d].getXVal(),g=a[d-1].getXVal(),f=a[d].getYVal(),d=a[d-1].getYVal();return c==g?f:d+(f-d)/(c-g)*(b-g)},"~A,~N");c$.intoRange=c(c$,"intoRange",function(a,b,d){return Math.max(Math.min(a, -d),b)},"~N,~N,~N");c$.getNearestIndexForX=c(c$,"getNearestIndexForX",function(a,b){var d=(new JSV.common.Coordinate).set(b,0),d=java.util.Arrays.binarySearch(a,d,JSV.common.Coordinate.c);0>d&&(d=-1-d);return 0>d?0:d>a.length-1?a.length-1:d},"~A,~N");c$.findXForPeakNearest=c(c$,"findXForPeakNearest",function(a,b,d){b=JSV.common.Coordinate.getNearestIndexForX(a,b);for(d=d?-1:1;bf*(a[b].yVal-d);)b++;else for(;0<=b&&0>f*(a[b].yVal-d);)b--;return-1==b||b==a.length?NaN:JSV.common.Coordinate.findXForPeakNearest(a,a[b].getXVal(),c)},"~A,~N,~N,~B,~B");c$.c= -c$.prototype.c=new JSV.common.CoordComparator});r("JSV.common");x(["java.lang.Enum"],"JSV.common.ExportType",null,function(){c$=E(JSV.common,"ExportType",Enum);c$.getType=c(c$,"getType",function(a){a=a.toUpperCase();if(a.equalsIgnoreCase("Original..."))return JSV.common.ExportType.SOURCE;if(a.startsWith("XML"))return JSV.common.ExportType.AML;for(var b,d=0,c=JSV.common.ExportType.values();d +b.getXVal()?1:a.getXVal()=b&&JSV.common.Coordinate.getMaxY(a,0,a.length-1)>=d},"~A,~N,~N"); +c$.normalise=c(c$,"normalise",function(a,b,d){var c=Array(a.length),g=JSV.common.Coordinate.getMinY(a,0,a.length-1);d=(JSV.common.Coordinate.getMaxY(a,0,a.length-1)-g)/(d-b);for(var e=0;ec&&(c=g)}return c},"~A,~N,~N");c$.getMaxX=c(c$,"getMaxX",function(a,b){for(var d=-1.7976931348623157E308,c=0;cd&&(d=g)}return d},"JU.Lst,JSV.common.ViewData");c$.getMinY=c(c$,"getMinY",function(a,b,d){for(var c=1.7976931348623157E308;b<=d;b++){var g=a[b].getYVal();gc&&(c=g)}return c},"~A,~N,~N");c$.getMaxYUser=c(c$,"getMaxYUser",function(a,b){for(var d=-1.7976931348623157E308, +c=0;cd&&(d=g)}return d},"JU.Lst,JSV.common.ViewData");c$.getYValueAt=c(c$,"getYValueAt",function(a,b){var d=JSV.common.Coordinate.getNearestIndexForX(a,b);if(0==d||d==a.length)return NaN;var c=a[d].getXVal(),g=a[d-1].getXVal(),e=a[d].getYVal(),d=a[d-1].getYVal();return c==g?e:d+(e-d)/(c-g)*(b-g)},"~A,~N");c$.intoRange= +c(c$,"intoRange",function(a,b,d){return Math.max(Math.min(a,d),b)},"~N,~N,~N");c$.getNearestIndexForX=c(c$,"getNearestIndexForX",function(a,b){var d=(new JSV.common.Coordinate).set(b,0),d=java.util.Arrays.binarySearch(a,d,JSV.common.Coordinate.c);0>d&&(d=-1-d);return 0>d?0:d>a.length-1?a.length-1:d},"~A,~N");c$.findXForPeakNearest=c(c$,"findXForPeakNearest",function(a,b,d){b=JSV.common.Coordinate.getNearestIndexForX(a,b);for(d=d?-1:1;be*(a[b].yVal-d);)b++;else for(;0<=b&&0>e*(a[b].yVal-d);)b--;return-1==b||b==a.length?NaN:JSV.common.Coordinate.findXForPeakNearest(a, +a[b].getXVal(),c)},"~A,~N,~N,~B,~B");c$.c=c$.prototype.c=new JSV.common.CoordComparator});m("JSV.common");x(["java.lang.Enum"],"JSV.common.ExportType",null,function(){c$=E(JSV.common,"ExportType",Enum);c$.getType=c(c$,"getType",function(a){a=a.toUpperCase();if(a.equalsIgnoreCase("Original..."))return JSV.common.ExportType.SOURCE;if(a.startsWith("XML"))return JSV.common.ExportType.AML;for(var b,d=0,c=JSV.common.ExportType.values();da||this.iSpectrumClicked!=a)this.lastClickX=NaN,this.lastPixelX=2147483647;this.iSpectrumClicked=this.setSpectrumSelected(this.setSpectrumMovedTo(a))},"~N");c(c$,"setSpectrumSelected",function(a){var b=a!=this.iSpectrumSelected;this.iSpectrumSelected=a;b&&this.getCurrentView();return this.iSpectrumSelected},"~N");c(c$,"closeDialogsExcept",function(a){if(null!=this.dialogs)for(var b,d=this.dialogs.entrySet().iterator();d.hasNext()&& ((b=d.next())||1);){var c=b.getValue();c.isDialog()&&(a===JSV.common.Annotation.AType.NONE||c.getAType()!==a)&&c.setVisible(!1)}},"JSV.common.Annotation.AType");c(c$,"dispose",function(){this.widgets=this.graphsTemp=this.imageView=this.pendingMeasurement=this.lastAnnotation=this.annotations=this.viewList=this.viewData=this.spectra=null;this.disposeImage();if(null!=this.dialogs)for(var a,b=this.dialogs.entrySet().iterator();b.hasNext()&&((a=b.next())||1);){var d=a.getValue();d.isDialog()&&d.dispose()}this.dialogs= null});c(c$,"isDrawNoSpectra",function(){return-2147483648==this.iSpectrumSelected});c(c$,"getFixedSelectedSpectrumIndex",function(){return Math.max(this.iSpectrumSelected,0)});c(c$,"getSpectrum",function(){return this.getSpectrumAt(this.getFixedSelectedSpectrumIndex()).getCurrentSubSpectrum()});c(c$,"getSpectrumAt",function(a){return this.spectra.get(a)},"~N");c(c$,"getSpectrumIndex",function(a){for(var b=this.spectra.size();0<=--b;)if(this.spectra.get(b)===a)return b;return-1},"JSV.common.Spectrum"); @@ -2739,10 +2768,10 @@ c(c$,"addSpec",function(a){this.spectra.addLast(a);this.nSpectra++},"JSV.common. this.pd.setTaintedAll()},"~B");c(c$,"setPositionForFrame",function(a){0>a&&(a=0);var b=this.height-50;this.xPixel00=w(this.width*this.fX0);this.xPixel11=w(this.xPixel00+this.width*this.fracX-1);this.xHArrows=this.xPixel00+25;this.xVArrows=this.xPixel11-w(this.right/2);this.xPixel0=this.xPixel00+w(this.left*(1-this.fX0));this.xPixel10=this.xPixel1=this.xPixel11-this.right;this.xPixels0=this.xPixels=this.xPixel1-this.xPixel0+1;this.yPixel000=(0==this.fY0?25:0)+w(this.height*this.fY0);this.yPixel00= this.yPixel000+w(b*this.fracY*a);this.yPixel11=this.yPixel00+w(b*this.fracY)-1;this.yHArrows=this.yPixel11-12;this.yPixel0=this.yPixel00+w(this.top/2);this.yPixel1=this.yPixel11-w(this.bottom/2);this.yPixels=this.yPixel1-this.yPixel0+1;null!=this.imageView&&this.is2DSpectrum&&(this.setImageWindow(),this.pd.display1D?(this.xPixels=w(Math.floor(0.8*(this.pd.display1D?1*(this.xPixels0-this.imageView.xPixels)/this.xPixels0:1)*this.xPixels0)),this.xPixel1=this.xPixel0+this.xPixels-1):(this.xPixels=0,this.xPixel1= this.imageView.xPixel0-30))},"~N");c(c$,"hasPoint",function(a,b){return a>=this.xPixel00&&a<=this.xPixel11&&b>=this.yPixel000&&b<=this.yPixel11*this.nSplit},"~N,~N");c(c$,"isInPlotRegion",function(a,b){return a>=this.xPixel0&&a<=this.xPixel1&&b>=this.yPixel0&&b<=this.yPixel1},"~N,~N");c(c$,"getSplitPoint",function(a){return Math.max(0,Math.min(w((a-this.yPixel000)/(this.yPixel11-this.yPixel00)),this.nSplit-1))},"~N");c(c$,"isSplitWidget",function(a,b){return this.isFrameBox(a,b,this.splitterX,this.splitterY)}, -"~N,~N");c(c$,"isCloserWidget",function(a,b){return this.isFrameBox(a,b,this.closerX,this.closerY)},"~N,~N");c(c$,"initGraphSet",function(a,b){null==JSV.common.GraphSet.veryLightGrey&&(JSV.common.GraphSet.veryLightGrey=this.g2d.getColor3(200,200,200));this.setPlotColors(JSV.common.ColorParameters.defaultPlotColors);this.xAxisLeftToRight=this.getSpectrumAt(0).shouldDisplayXAxisIncreasing();this.setDrawXAxis();var d=B(this.nSpectra,0),c=B(this.nSpectra,0);this.bsSelected.setBits(0,this.nSpectra);this.allowStackedYScale= -!0;0>=b&&(b=2147483647);this.isSplittable=1=b&&(b=2147483647);this.isSplittable=1this.pin1Dx0.yPixel0-2&&bthis.pin2Dx0.yPixel0-2&&bthis.pin1Dy0.xPixel1&&athis.pin2Dy0.xPixel1&&athis.iSpectrumClicked)return!1;this.xValueMovedTo=this.getSpectrum().findXForPeakNearest(this.xValueMovedTo);this.setXPixelMovedTo(this.xValueMovedTo,1.7976931348623157E308,0,0);return!Double.isNaN(this.xValueMovedTo)});c(c$,"setXPixelMovedTo",function(a,b,d,c){1.7976931348623157E308==a&&1.7976931348623157E308==b?(this.xPixelMovedTo= d,this.xPixelMovedTo2=c,this.isLinked&&this.sticky2Dcursor&&this.pd.setlinkedXMove(this,this.toX(this.xPixelMovedTo),!1)):(1.7976931348623157E308!=a&&(this.xPixelMovedTo=this.toPixelX(a),this.fixX(this.xPixelMovedTo)!=this.xPixelMovedTo&&(this.xPixelMovedTo=-1),this.xPixelMovedTo2=-1,1E10!=a&&this.setSpectrumClicked(this.getFixedSelectedSpectrumIndex())),1.7976931348623157E308!=b&&(this.xPixelMovedTo2=this.toPixelX(b)))},"~N,~N,~N,~N");c(c$,"processPendingMeasurement",function(a,b,d){if(!this.isInPlotRegion(a, -b)||this.is2dClick(a,b))this.pendingMeasurement=null;else{var c=this.toX(a),g=this.toY(b),f=c;switch(d){case 0:this.pendingMeasurement.setPt2(this.toX(a),this.toY(b));break;case 3:case 2:if(0>this.iSpectrumClicked)break;var j=this.spectra.get(this.iSpectrumClicked);this.setScale(this.iSpectrumClicked);3!=d&&(d=this.findMeasurement(this.selectedSpectrumMeasurements,a,b,1),null!=d?(c=d.getXVal(),g=d.getYVal()):null!=(d=this.findMeasurement(this.selectedSpectrumMeasurements,a,b,2))?(c=d.getXVal2(),g= -d.getYVal2()):c=this.getNearestPeak(j,c,g));this.pendingMeasurement=(new JSV.common.Measurement).setM1(c,g,j);this.pendingMeasurement.setPt2(f,g);this.pd.setTaintedAll();this.pd.repaint();break;case 1:case -2:case -3:for(f=null!=this.pendingMeasurement&&this.isVisible(this.getDialog(JSV.common.Annotation.AType.Measurements,-1));f;){this.setScale(this.getSpectrumIndex(this.pendingMeasurement.spec));if(3!=d){if(!this.findNearestMaxMin()){f=!1;break}a=this.xPixelMovedTo}c=this.toX(a);g=this.toY(b);this.pendingMeasurement.setPt2(c, -g);if(0==this.pendingMeasurement.text.length){f=!1;break}this.setMeasurement(this.pendingMeasurement);if(1!=d){f=!1;break}this.setSpectrumClicked(this.getSpectrumIndex(this.pendingMeasurement.spec));this.pendingMeasurement=(new JSV.common.Measurement).setM1(c,g,this.pendingMeasurement.spec);break}f||(this.pendingMeasurement=null);this.pd.setTaintedAll();this.pd.repaint();break;case 5:this.findNearestMaxMin()?(a=this.getFixedSelectedSpectrumIndex(),Double.isNaN(this.lastXMax)||this.lastSpecClicked!= +b)||this.is2dClick(a,b))this.pendingMeasurement=null;else{var c=this.toX(a),g=this.toY(b),e=c;switch(d){case 0:this.pendingMeasurement.setPt2(this.toX(a),this.toY(b));break;case 3:case 2:if(0>this.iSpectrumClicked)break;var j=this.spectra.get(this.iSpectrumClicked);this.setScale(this.iSpectrumClicked);3!=d&&(d=this.findMeasurement(this.selectedSpectrumMeasurements,a,b,1),null!=d?(c=d.getXVal(),g=d.getYVal()):null!=(d=this.findMeasurement(this.selectedSpectrumMeasurements,a,b,2))?(c=d.getXVal2(),g= +d.getYVal2()):c=this.getNearestPeak(j,c,g));this.pendingMeasurement=(new JSV.common.Measurement).setM1(c,g,j);this.pendingMeasurement.setPt2(e,g);this.pd.setTaintedAll();this.pd.repaint();break;case 1:case -2:case -3:for(e=null!=this.pendingMeasurement&&this.isVisible(this.getDialog(JSV.common.Annotation.AType.Measurements,-1));e;){this.setScale(this.getSpectrumIndex(this.pendingMeasurement.spec));if(3!=d){if(!this.findNearestMaxMin()){e=!1;break}a=this.xPixelMovedTo}c=this.toX(a);g=this.toY(b);this.pendingMeasurement.setPt2(c, +g);if(0==this.pendingMeasurement.text.length){e=!1;break}this.setMeasurement(this.pendingMeasurement);if(1!=d){e=!1;break}this.setSpectrumClicked(this.getSpectrumIndex(this.pendingMeasurement.spec));this.pendingMeasurement=(new JSV.common.Measurement).setM1(c,g,this.pendingMeasurement.spec);break}e||(this.pendingMeasurement=null);this.pd.setTaintedAll();this.pd.repaint();break;case 5:this.findNearestMaxMin()?(a=this.getFixedSelectedSpectrumIndex(),Double.isNaN(this.lastXMax)||this.lastSpecClicked!= a||null==this.pendingMeasurement?(this.lastXMax=this.xValueMovedTo,this.lastSpecClicked=a,this.pendingMeasurement=(new JSV.common.Measurement).setM1(this.xValueMovedTo,this.yValueMovedTo,this.spectra.get(a))):(this.pendingMeasurement.setPt2(this.xValueMovedTo,this.yValueMovedTo),0Math.abs(b-j)+Math.abs(d-l))return g;break;case 2:if(4>Math.abs(b-h)+Math.abs(d-n))return g;break;case -5:l=n=w((l+n)/2),h=j+20;default:case -1:case -2:if(JSV.common.GraphSet.isOnLine(b,d,j,l,h,n))return g}}return null},"JSV.common.MeasurementData,~N,~N,~N");c(c$,"setMeasurement",function(a){var b=this.getSpectrumIndex(a.spec),d=this.getDialog(JSV.common.Annotation.AType.Measurements, +b,d,a.isInverted(),!0);return Double.isNaN(c)?a:Double.isNaN(a)?c:Math.abs(c-b)Math.abs(b-j)+Math.abs(d-l))return g;break;case 2:if(4>Math.abs(b-h)+Math.abs(d-r))return g;break;case -5:l=r=w((l+r)/2),h=j+20;default:case -1:case -2:if(JSV.common.GraphSet.isOnLine(b,d,j,l,h,r))return g}}return null},"JSV.common.MeasurementData,~N,~N,~N");c(c$,"setMeasurement",function(a){var b=this.getSpectrumIndex(a.spec),d=this.getDialog(JSV.common.Annotation.AType.Measurements, b);null==d&&this.addDialog(b,JSV.common.Annotation.AType.Measurements,d=new JSV.common.MeasurementData(JSV.common.Annotation.AType.Measurements,a.spec));d.getData().addLast(a.copyM());this.updateDialog(JSV.common.Annotation.AType.Measurements,-1)},"JSV.common.Measurement");c(c$,"checkArrowUpDownClick",function(a,b){var d=!1,c=this.isArrowClick(a,b,3)?JSV.common.GraphSet.RT2:this.isArrowClick(a,b,4)?1/JSV.common.GraphSet.RT2:0;if(0!=c){1d&&(d=this.nSpectra-1),this.setSpectrumClicked(d%this.nSpectra),!0;if(this.isArrowClick(a,b,0)){if(this.showAllStacked)return this.showAllStacked=!1,this.setSpectrumClicked(this.getFixedSelectedSpectrumIndex()),!0;this.showAllStacked=this.allowStacking;this.setSpectrumSelected(-1); @@ -2765,12 +2794,12 @@ this.stackSelected=!1}}return!1},"~N,~N");c(c$,"isArrowClick",function(a,b,d){sw this.pin1Dx1.getXVal())+" - "+Math.max(this.pin1Dx0.getXVal(),this.pin1Dx1.getXVal()):a===this.pin1Dy01?""+Math.min(this.pin1Dy0.getYVal(),this.pin1Dy1.getYVal())+" - "+Math.max(this.pin1Dy0.getYVal(),this.pin1Dy1.getYVal()):a===this.pin2Dx01?""+Math.min(this.pin2Dx0.getXVal(),this.pin2Dx1.getXVal())+" - "+Math.max(this.pin2Dx0.getXVal(),this.pin2Dx1.getXVal()):a===this.pin2Dy01?""+w(Math.min(this.pin2Dy0.getYVal(),this.pin2Dy1.getYVal()))+" - "+w(Math.max(this.pin2Dy0.getYVal(),this.pin2Dy1.getYVal())): ""+a.getValue();b=this.pd.getInput("New value?","Set Slider",b);if(null!=b){b=b.trim();try{if(a===this.pin1Dx01||a===this.pin1Dy01||a===this.pin2Dx01||a===this.pin2Dy01){var d=b.indexOf("-",1);if(!(0>d)){var c=Double.$valueOf(b.substring(0,d)).doubleValue(),g=Double.$valueOf(b.substring(d+1)).doubleValue();a===this.pin1Dx01?this.doZoom(c,this.pin1Dy0.getYVal(),g,this.pin1Dy1.getYVal(),!0,!1,!1,!0,!0):a===this.pin1Dy01?this.doZoom(this.pin1Dx0.getXVal(),c,this.pin1Dx1.getXVal(),g,null==this.imageView, null==this.imageView,!1,!1,!0):a===this.pin2Dx01?(this.imageView.setView0(this.imageView.toPixelX0(c),this.pin2Dy0.yPixel0,this.imageView.toPixelX0(g),this.pin2Dy1.yPixel0),this.doZoom(c,this.pin1Dy0.getYVal(),g,this.pin1Dy1.getYVal(),!1,!1,!1,!0,!0)):a===this.pin2Dy01&&(this.imageView.setView0(this.pin2Dx0.xPixel0,this.imageView.toPixelY0(c),this.pin2Dx1.xPixel0,this.imageView.toPixelY0(g)),this.doZoom(this.imageView.toX(this.imageView.xPixel0),this.getScale().minY,this.imageView.toX(this.imageView.xPixel0+ -this.imageView.xPixels-1),this.getScale().maxY,!1,!1,!1,!1,!0))}}else{var f=Double.$valueOf(b).doubleValue();a.isXtype?(g=a===this.pin1Dx0||a===this.cur2Dx0||a===this.pin2Dx0?this.pin1Dx1.getXVal():this.pin1Dx0.getXVal(),this.doZoom(f,0,g,0,!a.is2D,!1,!1,!0,!0)):a===this.cur2Dy?this.setCurrentSubSpectrum(w(f)):a===this.pin2Dy0||a===this.pin2Dy1?(g=a===this.pin2Dy0?this.pin2Dy1.yPixel0:this.pin2Dy0.yPixel0,this.imageView.setView0(this.pin2Dx0.xPixel0,this.imageView.subIndexToPixelY(w(f)),this.pin2Dx1.xPixel0, -g)):(g=a===this.pin1Dy0?this.pin1Dy1.getYVal():this.pin1Dy0.getYVal(),this.doZoom(this.pin1Dx0.getXVal(),f,this.pin1Dx1.getXVal(),g,null==this.imageView,null==this.imageView,!1,!1,!0))}}catch(j){if(!D(j,Exception))throw j;}}},"JSV.common.PlotWidget");c(c$,"removeAllHighlights",function(a){if(null==a)this.highlights.clear();else for(var b=this.highlights.size();0<=--b;)this.highlights.get(b).spectrum===a&&this.highlights.removeItemAt(b)},"JSV.common.Spectrum");c(c$,"setCoordClicked",function(a,b,d){0== +this.imageView.xPixels-1),this.getScale().maxY,!1,!1,!1,!1,!0))}}else{var e=Double.$valueOf(b).doubleValue();a.isXtype?(g=a===this.pin1Dx0||a===this.cur2Dx0||a===this.pin2Dx0?this.pin1Dx1.getXVal():this.pin1Dx0.getXVal(),this.doZoom(e,0,g,0,!a.is2D,!1,!1,!0,!0)):a===this.cur2Dy?this.setCurrentSubSpectrum(w(e)):a===this.pin2Dy0||a===this.pin2Dy1?(g=a===this.pin2Dy0?this.pin2Dy1.yPixel0:this.pin2Dy0.yPixel0,this.imageView.setView0(this.pin2Dx0.xPixel0,this.imageView.subIndexToPixelY(w(e)),this.pin2Dx1.xPixel0, +g)):(g=a===this.pin1Dy0?this.pin1Dy1.getYVal():this.pin1Dy0.getYVal(),this.doZoom(this.pin1Dx0.getXVal(),e,this.pin1Dx1.getXVal(),g,null==this.imageView,null==this.imageView,!1,!1,!0))}}catch(j){if(!D(j,Exception))throw j;}}},"JSV.common.PlotWidget");c(c$,"removeAllHighlights",function(a){if(null==a)this.highlights.clear();else for(var b=this.highlights.size();0<=--b;)this.highlights.get(b).spectrum===a&&this.highlights.removeItemAt(b)},"JSV.common.Spectrum");c(c$,"setCoordClicked",function(a,b,d){0== d&&(this.nextClickForSetPeak=null);if(Double.isNaN(b))return this.pd.coordClicked=null,this.pd.coordsClicked=null;this.pd.coordClicked=(new JSV.common.Coordinate).set(this.lastClickX=b,d);this.pd.coordsClicked=this.getSpectrum().getXYCoords();this.pd.xPixelClicked=this.lastPixelX=a;return this.pd.coordClicked},"~N,~N,~N");c(c$,"setWidgets",function(a,b,d){if(a||null==this.pin1Dx0)null==this.zoomBox1D?this.newPins():this.resetPinPositions();this.setDerivedPins(b);this.setPinSliderPositions(d)},"~B,~N,~B"); c(c$,"newPins",function(){this.zoomBox1D=new JSV.common.PlotWidget("zoomBox1D");this.pin1Dx0=new JSV.common.PlotWidget("pin1Dx0");this.pin1Dx1=new JSV.common.PlotWidget("pin1Dx1");this.pin1Dy0=new JSV.common.PlotWidget("pin1Dy0");this.pin1Dy1=new JSV.common.PlotWidget("pin1Dy1");this.pin1Dx01=new JSV.common.PlotWidget("pin1Dx01");this.pin1Dy01=new JSV.common.PlotWidget("pin1Dy01");this.cur1D2x1=new JSV.common.PlotWidget("cur1D2x1");this.cur1D2x1.color=JSV.common.ScriptToken.PEAKTABCOLOR;this.cur1D2x2= new JSV.common.PlotWidget("cur1D2x2");this.cur1D2x2.color=JSV.common.ScriptToken.PEAKTABCOLOR;if(null!=this.imageView){this.zoomBox2D=new JSV.common.PlotWidget("zoomBox2D");this.pin2Dx0=new JSV.common.PlotWidget("pin2Dx0");this.pin2Dx1=new JSV.common.PlotWidget("pin2Dx1");this.pin2Dy0=new JSV.common.PlotWidget("pin2Dy0");this.pin2Dy1=new JSV.common.PlotWidget("pin2Dy1");this.pin2Dx01=new JSV.common.PlotWidget("pin2Dx01");this.pin2Dy01=new JSV.common.PlotWidget("pin2Dy01");this.cur2Dx0=new JSV.common.PlotWidget("cur2Dx0"); -this.cur2Dx1=new JSV.common.PlotWidget("cur2Dx1");this.cur2Dy=new JSV.common.PlotWidget("cur2Dy");this.pin2Dy0.setY(0,this.imageView.toPixelY0(0));var a=this.getSpectrumAt(0).getSubSpectra().size();this.pin2Dy1.setY(a,this.imageView.toPixelY0(a))}this.setWidgetX(this.pin1Dx0,this.getScale().minX);this.setWidgetX(this.pin1Dx1,this.getScale().maxX);this.setWidgetY(this.pin1Dy0,this.getScale().minY);this.setWidgetY(this.pin1Dy1,this.getScale().maxY);this.widgets=A(-1,[this.zoomBox1D,this.zoomBox2D,this.pin1Dx0, +this.cur2Dx1=new JSV.common.PlotWidget("cur2Dx1");this.cur2Dy=new JSV.common.PlotWidget("cur2Dy");this.pin2Dy0.setY(0,this.imageView.toPixelY0(0));var a=this.getSpectrumAt(0).getSubSpectra().size();this.pin2Dy1.setY(a,this.imageView.toPixelY0(a))}this.setWidgetX(this.pin1Dx0,this.getScale().minX);this.setWidgetX(this.pin1Dx1,this.getScale().maxX);this.setWidgetY(this.pin1Dy0,this.getScale().minY);this.setWidgetY(this.pin1Dy1,this.getScale().maxY);this.widgets=v(-1,[this.zoomBox1D,this.zoomBox2D,this.pin1Dx0, this.pin1Dx01,this.pin1Dx1,this.pin1Dy0,this.pin1Dy01,this.pin1Dy1,this.pin2Dx0,this.pin2Dx01,this.pin2Dx1,this.pin2Dy0,this.pin2Dy01,this.pin2Dy1,this.cur2Dx0,this.cur2Dx1,this.cur2Dy,this.cur1D2x1,this.cur1D2x2])});c(c$,"setWidgetX",function(a,b){a.setX(b,this.toPixelX0(b))},"JSV.common.PlotWidget,~N");c(c$,"setWidgetY",function(a,b){a.setY(b,this.toPixelY0(b))},"JSV.common.PlotWidget,~N");c(c$,"resetPinsFromView",function(){null!=this.pin1Dx0&&(this.setWidgetX(this.pin1Dx0,this.getScale().minXOnScale), this.setWidgetX(this.pin1Dx1,this.getScale().maxXOnScale),this.setWidgetY(this.pin1Dy0,this.getScale().minYOnScale),this.setWidgetY(this.pin1Dy1,this.getScale().maxYOnScale))});c(c$,"resetPinPositions",function(){this.resetX(this.pin1Dx0);this.resetY(this.pin1Dy0);this.resetY(this.pin1Dy1);null==this.imageView?(null!=this.gs2dLinkedX&&this.resetX(this.cur1D2x1),null!=this.gs2dLinkedY&&this.resetX(this.cur1D2x2)):(this.pin2Dy0.setY(this.pin2Dy0.getYVal(),this.imageView.toPixelY0(this.pin2Dy0.getYVal())), this.pin2Dy1.setY(this.pin2Dy1.getYVal(),this.imageView.toPixelY0(this.pin2Dy1.getYVal())))});c(c$,"resetX",function(a){this.setWidgetX(a,a.getXVal())},"JSV.common.PlotWidget");c(c$,"resetY",function(a){this.setWidgetY(a,a.getYVal())},"JSV.common.PlotWidget");c(c$,"setPinSliderPositions",function(a){this.pin1Dx0.yPixel0=this.pin1Dx1.yPixel0=this.pin1Dx01.yPixel0=this.yPixel0-5;this.pin1Dx0.yPixel1=this.pin1Dx1.yPixel1=this.pin1Dx01.yPixel1=this.yPixel0;this.cur1D2x1.yPixel1=this.cur1D2x2.yPixel1= @@ -2780,75 +2809,75 @@ a?w((this.xPixel1+this.imageView.xPixel0)/2):this.imageView.xPixel0-6,this.cur2D this.pin1Dy1.yPixel0)/2));this.pin1Dx01.setEnabled(Math.min(this.pin1Dx0.xPixel0,this.pin1Dx1.xPixel0)>this.xPixel0||Math.max(this.pin1Dx0.xPixel0,this.pin1Dx1.xPixel0)Math.min(this.toPixelY(this.getScale().minY),this.toPixelY(this.getScale().maxY))||Math.max(this.pin1Dy0.yPixel0,this.pin1Dy1.yPixel0)d&&(h=a,a=d,d=h);b>c&&(h=b,b=c,c=h);h=!g&&null!=this.imageView&&(this.imageView.minZ!=b||this.imageView.maxZ!=c);if(this.zoomEnabled||h){if(j){if(!this.getScale().isInRangeX(a)&&!this.getScale().isInRangeX(d))return;this.getScale().isInRangeX(a)? -this.getScale().isInRangeX(d)||(d=this.getScale().maxX):a=this.getScale().minX}this.pd.setTaintedAll();j=this.viewData.getScaleData();var n=B(this.nSpectra,0),m=B(this.nSpectra,0);this.graphsTemp.clear();var p=this.getSpectrumAt(0).getSubSpectra(),p=null==p||2==p.size();if(this.getSpectrumAt(0).is1D()&&!p){if(this.graphsTemp.addLast(this.getSpectrum()),!JSV.common.ScaleData.setDataPointIndices(this.graphsTemp,a,d,3,n,m))return}else if(!JSV.common.ScaleData.setDataPointIndices(this.spectra,a,d,3,n, -m))return;if(p=b==c)g=!h&&g?g=this.getScale().spectrumScaleFactor:1,1E-4>Math.abs(g-1)&&(b=this.getScale().minYOnScale,c=this.getScale().maxYOnScale);g=null;if(p||f)this.getCurrentView(),g=this.viewData.getNewScales(this.iSpectrumSelected,p,b,c);this.getView(a,d,b,c,n,m,j,g);this.setXPixelMovedTo(1E10,1.7976931348623157E308,0,0);this.setWidgetX(this.pin1Dx0,a);this.setWidgetX(this.pin1Dx1,d);this.setWidgetY(this.pin1Dy0,b);this.setWidgetY(this.pin1Dy1,c);null==this.imageView?this.updateDialogs(): +this.yPixel0||Math.max(this.pin2Dy0.yPixel0,this.pin2Dy1.yPixel1)!=this.yPixel1)}},"~N");c(c$,"doZoom",function(a,b,d,c,g,e,j,h,l){a==d?(a=this.getScale().minXOnScale,d=this.getScale().maxXOnScale):this.isLinked&&h&&this.pd.doZoomLinked(this,a,d,l,j,g);a>d&&(h=a,a=d,d=h);b>c&&(h=b,b=c,c=h);h=!g&&null!=this.imageView&&(this.imageView.minZ!=b||this.imageView.maxZ!=c);if(this.zoomEnabled||h){if(j){if(!this.getScale().isInRangeX(a)&&!this.getScale().isInRangeX(d))return;this.getScale().isInRangeX(a)? +this.getScale().isInRangeX(d)||(d=this.getScale().maxX):a=this.getScale().minX}this.pd.setTaintedAll();j=this.viewData.getScaleData();var r=A(this.nSpectra,0),n=A(this.nSpectra,0);this.graphsTemp.clear();var q=this.getSpectrumAt(0).getSubSpectra(),q=null==q||2==q.size();if(this.getSpectrumAt(0).is1D()&&!q){if(this.graphsTemp.addLast(this.getSpectrum()),!JSV.common.ScaleData.setDataPointIndices(this.graphsTemp,a,d,3,r,n))return}else if(!JSV.common.ScaleData.setDataPointIndices(this.spectra,a,d,3,r, +n))return;if(q=b==c)g=!h&&g?g=this.getScale().spectrumScaleFactor:1,1E-4>Math.abs(g-1)&&(b=this.getScale().minYOnScale,c=this.getScale().maxYOnScale);g=null;if(q||e)this.getCurrentView(),g=this.viewData.getNewScales(this.iSpectrumSelected,q,b,c);this.getView(a,d,b,c,r,n,j,g);this.setXPixelMovedTo(1E10,1.7976931348623157E308,0,0);this.setWidgetX(this.pin1Dx0,a);this.setWidgetX(this.pin1Dx1,d);this.setWidgetY(this.pin1Dy0,b);this.setWidgetY(this.pin1Dy1,c);null==this.imageView?this.updateDialogs(): (a=this.getSpectrumAt(0).getSubIndex(),d=this.imageView.fixSubIndex(a),d!=a&&this.setCurrentSubSpectrum(d),h&&this.update2dImage(!1));l&&this.addCurrentZoom()}},"~N,~N,~N,~N,~B,~B,~B,~B,~B");c(c$,"updateDialogs",function(){this.updateDialog(JSV.common.Annotation.AType.PeakList,-1);this.updateDialog(JSV.common.Annotation.AType.Measurements,-1)});c(c$,"setCurrentSubSpectrum",function(a){var b=this.getSpectrumAt(0);a=b.setCurrentSubSpectrum(a);b.isForcedSubset()&&this.viewData.setXRangeForSubSpectrum(this.getSpectrum().getXYCoords()); this.pd.notifySubSpectrumChange(a,this.getSpectrum())},"~N");c(c$,"addCurrentZoom",function(){if(this.viewList.size()>this.currentZoomIndex+1)for(var a=this.viewList.size()-1;a>this.currentZoomIndex;a--)this.viewList.removeItemAt(a);this.viewList.addLast(this.viewData);this.currentZoomIndex++});c(c$,"setZoomTo",function(a){this.currentZoomIndex=a;this.viewData=this.viewList.get(a);this.resetPinsFromView()},"~N");c(c$,"clearViews",function(){this.isLinked&&this.pd.clearLinkViews(this);this.setZoom(0, -0,0,0);for(var a=this.viewList.size();1<=--a;)this.viewList.removeItemAt(a)});c(c$,"drawAll",function(a,b,d,c,g,f,j){this.g2d=this.pd.g2d;this.gMain=a;var h=this.getSpectrumAt(0),l=h.getSubIndex();this.is2DSpectrum=!h.is1D()&&(this.isLinked||this.pd.getBoolean(JSV.common.ScriptToken.DISPLAY2D))&&(null!=this.imageView||this.get2DImage(h));null!=this.imageView&&f&&(this.pd.isPrinting&&this.g2d!==this.pd.g2d0&&this.g2d.newGrayScaleImage(a,this.image2D,this.imageView.imageWidth,this.imageView.imageHeight, -this.imageView.getBuffer()),this.is2DSpectrum&&this.setPositionForFrame(c),this.draw2DImage());var n=this.stackSelected||!this.showAllStacked?this.iSpectrumSelected:-1,m=!this.showAllStacked||1==this.nSpectra||0<=n,h=null==this.imageView||this.pd.display1D,p=0<=n?1:0,q=this.getFixedSelectedSpectrumIndex();if(h&&f&&(this.fillBox(a,this.xPixel0,this.yPixel0,this.xPixel1,this.yPixel1,JSV.common.ScriptToken.PLOTAREACOLOR),0>n)){m=!0;for(n=0;np||0<=this.iSpectrumSelected))this.$haveSelectedSpectrum=!0;this.haveSingleYScale=this.showAllStacked&&1this.iSpectrumSelected||this.iSpectrumSelected==n&&this.pd.isCurrentGraphSet(this))&&this.pd.titleOn&&!this.pd.titleDrawn)this.pd.drawTitle(a,this.height,this.width,this.pd.getDrawTitle(this.pd.isPrinting)),this.pd.titleDrawn=!0;this.haveSingleYScale&&n==q&& -(this.pd.getBoolean(JSV.common.ScriptToken.YSCALEON)&&this.drawYScale(a,this),this.pd.getBoolean(JSV.common.ScriptToken.YUNITSON)&&this.drawYUnits(a))}var w=v.isContinuous(),x=(1g||2147483647==g)&&this.drawHandle(a,this.xPixelPlot1,this.yPixelPlot0,3,!1),0e){var j=c;c=e;e=j}c=this.fixX(c);e=this.fixX(e);3>e-c&&(c-=2,e+=2);null!=b&&b.setPixelRange(c,e);0==f?this.fillBox(a,c,this.yPixel0,e,this.yPixel0+this.yPixels,g):(this.fillBox(a,c,this.yPixel0+2,e,this.yPixel0+5,g),null!=b&&(c=w((c+e)/2),this.fillBox(a,c-1,this.yPixel0+2,c+1,this.yPixel0+2+f,g)))},"~O,JSV.common.PeakInfo,~N,~N,JSV.common.ScriptToken,~N");c(c$,"drawIntegration",function(a,b,c,e,g){null!=g&&(this.haveIntegralDisplayed(b)&&this.drawPlot(a,b,this.spectra.get(b),!0,c,!1,g,!0,!1, -!1),this.drawIntegralValues(a,b,c));b=this.getIntegrationRatios(b);null!=b&&this.drawAnnotations(a,b,JSV.common.ScriptToken.INTEGRALPLOTCOLOR)},"~O,~N,~N,~B,JSV.common.IntegralData,~B,~B");c(c$,"getMeasurements",function(a,b){var c=this.getDialog(a,b);return null==c||0==c.getData().size()||!c.getState()?null:c.getData()},"JSV.common.Annotation.AType,~N");c(c$,"drawPlot",function(a,b,c,e,g,f,j,h,l,n){var m=null==j?c.getXYCoords():this.getIntegrationGraph(b).getXYCoords(),p=null!=j;j=p?j.getBitSet(): -null;h=l||null!=c.fillColor&&h;f=f?-2:p?-1:!this.allowStacking?0:b;this.setPlotColor(a,f);var q=!0,r=this.toPixelY(0);p?h=(new Boolean(h&r==this.fixY(r))).valueOf():r=this.fixY(r);var s=p||h?this.pd.getColor(JSV.common.ScriptToken.INTEGRALPLOTCOLOR):null;c=null==s||null==c.fillColor?s:c.fillColor;s=this.viewData.getStartingPointIndex(b);b=this.viewData.getEndingPointIndex(b);if(e&&!n){b--;(n=(p||null!=this.pendingIntegral)&&this.g2d.canDoLineTo())&&this.g2d.doStroke(a,!0);var t=!1;for(e=s;e<=b;e++){var v= -m[e],w=m[e+1],x=p?this.toPixelYint(v.getYVal()):this.toPixelY(v.getYVal());if(-2147483648!=x){var z=p?this.toPixelYint(w.getYVal()):this.toPixelY(w.getYVal());if(-2147483648!=z){var v=v.getXVal(),A=w.getXVal(),w=this.toPixelX(v),B=this.toPixelX(A),x=this.fixY(g+x),z=this.fixY(g+z);p&&(e==s&&(this.xPixelPlot1=w,this.yPixelPlot0=x),this.xPixelPlot0=B,this.yPixelPlot1=z);if(!(B==w&&x==z))if(h&&l&&this.pendingIntegral.overlaps(v,A))null!=c&&(this.g2d.doStroke(a,!1),this.g2d.setGraphicsColor(a,c)),this.g2d.fillRect(a, -Math.min(w,B),Math.min(r,x),Math.max(1,Math.abs(B-w)),Math.abs(r-x)),null!=c&&(this.g2d.doStroke(a,!1),this.g2d.doStroke(a,!0),t=!1,this.setPlotColor(a,f));else if(!(x==z&&x==this.yPixel0)&&(null!=j&&j.get(e)!=q&&(q=j.get(e),n&&t&&(this.g2d.doStroke(a,!1),this.g2d.doStroke(a,!0),t=!1),!this.pd.isPrinting&&0!=this.pd.integralShiftMode?this.setPlotColor(a,0):q?this.setColorFromToken(a,JSV.common.ScriptToken.INTEGRALPLOTCOLOR):this.setPlotColor(a,-3)),!this.pd.isPrinting||q))t?this.g2d.lineTo(a,B,z): -(this.g2d.drawLine(a,w,x,B,z),t=n)}}}n&&this.g2d.doStroke(a,!1)}else{for(e=s;e<=b;e++)l=m[e],z=this.toPixelY(l.getYVal()),-2147483648!=z&&(w=this.toPixelX(l.getXVal()),x=this.toPixelY(Math.max(this.getScale().minYOnScale,0)),x=this.fixY(g+x),z=this.fixY(g+z),x==z&&(x==this.yPixel0||x==this.yPixel1)||(n?this.g2d.fillRect(a,w-1,z-1,3,3):this.g2d.drawLine(a,w,x,w,z)));!n&&this.getScale().isYZeroOnScale()&&(g+=this.toPixelY(this.getScale().spectrumYRef),g==this.fixY(g)&&this.g2d.drawLine(a,this.xPixel1, -g,this.xPixel0,g))}},"~O,~N,JSV.common.Spectrum,~B,~N,~B,JSV.common.IntegralData,~B,~B,~B");c(c$,"drawFrame",function(a,b,c,e,g){if(!this.pd.gridOn||this.pd.isPrinting)if(this.setColorFromToken(a,JSV.common.ScriptToken.GRIDCOLOR),this.g2d.drawRect(a,this.xPixel0,this.yPixel0,this.xPixels,this.yPixels),this.pd.isPrinting)return;this.setCurrentBoxColor(a);g&&(0<=b&&(this.setPlotColor(a,b),this.fillArrow(a,3,this.xVArrows,w((this.yPixel00+this.yPixel11)/2)-9,!0),this.fillArrow(a,4,this.xVArrows,w((this.yPixel00+ -this.yPixel11)/2)+9,!0),this.setCurrentBoxColor(a)),this.fillArrow(a,3,this.xVArrows,w((this.yPixel00+this.yPixel11)/2)-9,!1),this.fillCircle(a,this.xVArrows,w((this.yPixel00+this.yPixel11)/2),!1),this.fillArrow(a,4,this.xVArrows,w((this.yPixel00+this.yPixel11)/2)+9,!1));if(null==this.imageView&&c){b=this.xPixel00+10;c=this.xPixel11-10;g=this.yPixel00+1;var f=this.yPixel11-2;this.g2d.drawLine(a,b,g,c,g);this.g2d.drawLine(a,c,g,c,f);this.g2d.drawLine(a,b,f,c,f);this.splitterX=this.closerX=-2147483648; -this.drawBox(a,c-10,g,c,g+10,null);this.g2d.drawLine(a,c-10,g+10,c,g);this.g2d.drawLine(a,c,g+10,c-10,g);this.closerX=c-10;this.closerY=g;e&&(c-=10,this.fillBox(a,c-10,g,c,g+10,null),this.splitterX=c-10,this.splitterY=g)}},"~O,~N,~B,~B,~B");c(c$,"drawGrid",function(a){if(this.pd.gridOn&&null==this.imageView){this.setColorFromToken(a,JSV.common.ScriptToken.GRIDCOLOR);var b;if(Double.isNaN(this.getScale().firstX)){b=this.getScale().maxXOnScale+this.getScale().steps[0]/2;for(var c=this.getScale().minXOnScale;c< -b;c+=this.getScale().steps[0]){var e=this.toPixelX(c);this.g2d.drawLine(a,e,this.yPixel0,e,this.yPixel1)}}else{b=1.0001*this.getScale().maxXOnScale;for(c=this.getScale().firstX;c<=b;c+=this.getScale().steps[0])e=this.toPixelX(c),this.g2d.drawLine(a,e,this.yPixel0,e,this.yPixel1)}for(c=this.getScale().firstY;cp;p++){1==p&&JSV.common.ScaleData.fixScale(this.mapX);for(var q=1E10,r=n;r<=m;r+=this.getScale().steps[0]){var k=b.toPixelX(r),s=Double.$valueOf(r),t;switch(p){case 0:t=JU.DF.formatDecimalDbl(r,c);this.mapX.put(s,t);this.drawTick(a,k,g,f,b);k=Math.abs(q-r);q=this.getScale().minorTickCounts[0];if(0!=q){k/=q;for(t=1;tk;k++){1==k&&JSV.common.ScaleData.fixScale(this.mapX);for(var l=c.firstY;l -Math.abs(a-(c+5))&&5>Math.abs(b-(e+5))},"~N,~N,~N,~N");c(c$,"setCoordStr",function(a,b){var c=JU.DF.formatDecimalDbl(a,this.getScale().precision[0]);this.pd.coordStr="("+c+(this.haveSingleYScale||0<=this.iSpectrumSelected?", "+JU.DF.formatDecimalDbl(b,this.getScale().precision[1]):"")+")";return c},"~N,~N");c(c$,"setStartupPinTip",function(){if(null==this.pd.startupPinTip)return!1;this.pd.setToolTipText(this.pd.startupPinTip);this.pd.startupPinTip=null;return!0});c(c$,"get2DYLabel",function(a,b){var c= -this.getSpectrumAt(0).getSubSpectra().get(a);return JU.DF.formatDecimalDbl(c.getY2DPPM(),b)+" PPM"+(c.y2DUnits.equals("HZ")?" ("+JU.DF.formatDecimalDbl(c.getY2D(),b)+" HZ) ":"")},"~N,~N");c(c$,"isOnSpectrum",function(a,b,c){var e=null,g=!0,f=0>c;if(f){e=this.getDialog(JSV.common.Annotation.AType.Integration,-1);if(null==e)return!1;e=e.getData().getXYCoords();c=this.getFixedSelectedSpectrumIndex()}else{this.setScale(c);var h=this.spectra.get(c),e=h.xyCoords,g=h.isContinuous()}var h=c*C(this.yPixels* -(this.yStackOffsetPercent/100)),k=this.viewData.getStartingPointIndex(c);c=this.viewData.getEndingPointIndex(c);if(g)for(g=k;gh&&2>Math.abs(e-b))return!0;var k=g-a;if(2>Math.abs(k)&&2>Math.abs(f-b))return!0;var l=e-f;if(2a.size()&&null==this.lastAnnotation&&(this.lastAnnotation=this.getAnnotation((this.getScale().maxXOnScale+this.getScale().minXOnScale)/2,(this.getScale().maxYOnScale+this.getScale().minYOnScale)/ -2,b,!1,!1,0,0));var c=this.getAnnotation(a,this.lastAnnotation);if(null==c)return null;if(null==this.annotations&&1==a.size()&&'"'==a.get(0).charAt(0))return c=c.text,this.getSpectrum().setTitle(c),c;this.lastAnnotation=c;this.addAnnotation(c,!1);return null},"JU.Lst,~S");c(c$,"addHighlight",function(a,b,c,e){null==c&&(c=this.getSpectrumAt(0));a=R(JSV.common.GraphSet.Highlight,this,null,a,b,c,null==e?this.pd.getColor(JSV.common.ScriptToken.HIGHLIGHTCOLOR):e);this.highlights.contains(a)||this.highlights.addLast(a)}, -"~N,~N,JSV.common.Spectrum,javajs.api.GenericColor");c(c$,"addPeakHighlight",function(a){for(var b=this.spectra.size();0<=--b;){var c=this.spectra.get(b);this.removeAllHighlights(c);if(!(null==a||a.isClearAll()||c!==a.spectrum)){var e=a.toString();if(null!=e){var g=JU.PT.getQuotedAttribute(e,"xMin"),e=JU.PT.getQuotedAttribute(e,"xMax");if(null==g||null==e)break;g=JU.PT.parseFloat(g);e=JU.PT.parseFloat(e);if(Float.isNaN(g)||Float.isNaN(e))break;this.pd.addHighlight(this,g,e,c,200,140,140,100);c.setSelectedPeak(a); -!this.getScale().isInRangeX(g)&&!(this.getScale().isInRangeX(e)||gr)){n=!0;for(r=0;rq||0<=this.iSpectrumSelected))this.$haveSelectedSpectrum=!0;this.haveSingleYScale=this.showAllStacked&&1this.iSpectrumSelected||this.iSpectrumSelected==r&&this.pd.isCurrentGraphSet(this))&&this.pd.titleOn&&!this.pd.titleDrawn)this.pd.drawTitle(a,this.height,this.width,this.pd.getDrawTitle(this.pd.isPrinting)),this.pd.titleDrawn=!0;this.haveSingleYScale&&r==m&& +(this.pd.getBoolean(JSV.common.ScriptToken.YSCALEON)&&this.drawYScale(a,this),this.pd.getBoolean(JSV.common.ScriptToken.YUNITSON)&&this.drawYUnits(a))}var w=u.isContinuous(),v=(1g||2147483647==g)&&this.drawHandle(a,this.xPixelPlot1,this.yPixelPlot0,3,!1),0c){var j=d;d=c;c=j}d=this.fixX(d);c=this.fixX(c);3>c-d&&(d-=2,c+=2);null!=b&&b.setPixelRange(d,c);0==e?this.fillBox(a,d,this.yPixel0,c,this.yPixel0+this.yPixels,g):(this.fillBox(a,d,this.yPixel0+2,c,this.yPixel0+5,g),null!=b&&(d=w((d+c)/2),this.fillBox(a,d-1,this.yPixel0+2,d+1,this.yPixel0+2+e,g)))},"~O,JSV.common.PeakInfo,~N,~N,JSV.common.ScriptToken,~N");c(c$,"drawIntegration",function(a,b,d,c,g){null!=g&&(this.haveIntegralDisplayed(b)&&this.drawPlot(a,b,this.spectra.get(b),!0,d,!1,g,!0,!1, +!1),this.drawIntegralValues(a,b,d));b=this.getIntegrationRatios(b);null!=b&&this.drawAnnotations(a,b,JSV.common.ScriptToken.INTEGRALPLOTCOLOR)},"~O,~N,~N,~B,JSV.common.IntegralData,~B,~B");c(c$,"getMeasurements",function(a,b){var d=this.getDialog(a,b);return null==d||0==d.getData().size()||!d.getState()?null:d.getData()},"JSV.common.Annotation.AType,~N");c(c$,"drawPlot",function(a,b,d,c,g,e,j,h,l,r){var n=null==j?d.getXYCoords():this.getIntegrationGraph(b).getXYCoords(),q=null!=j;j=q?j.getBitSet(): +null;h=l||null!=d.fillColor&&h;e=e?-2:q?-1:!this.allowStacking?0:b;this.setPlotColor(a,e);var m=!0,p=this.toPixelY(0);q?h=(new Boolean(h&p==this.fixY(p))).valueOf():p=this.fixY(p);var s=q||h?this.pd.getColor(JSV.common.ScriptToken.INTEGRALPLOTCOLOR):null;d=null==s||null==d.fillColor?s:d.fillColor;s=this.viewData.getStartingPointIndex(b);b=this.viewData.getEndingPointIndex(b);if(c&&!r){b--;(r=(q||null!=this.pendingIntegral)&&this.g2d.canDoLineTo())&&this.g2d.doStroke(a,!0);var t=!1;for(c=s;c<=b;c++){var u= +n[c],w=n[c+1],v=q?this.toPixelYint(u.getYVal()):this.toPixelY(u.getYVal());if(-2147483648!=v){var x=q?this.toPixelYint(w.getYVal()):this.toPixelY(w.getYVal());if(-2147483648!=x){var u=u.getXVal(),z=w.getXVal(),w=this.toPixelX(u),A=this.toPixelX(z),v=this.fixY(g+v),x=this.fixY(g+x);q&&(c==s&&(this.xPixelPlot1=w,this.yPixelPlot0=v),this.xPixelPlot0=A,this.yPixelPlot1=x);if(!(A==w&&v==x))if(h&&l&&this.pendingIntegral.overlaps(u,z))null!=d&&(this.g2d.doStroke(a,!1),this.g2d.setGraphicsColor(a,d)),this.g2d.fillRect(a, +Math.min(w,A),Math.min(p,v),Math.max(1,Math.abs(A-w)),Math.abs(p-v)),null!=d&&(this.g2d.doStroke(a,!1),this.g2d.doStroke(a,!0),t=!1,this.setPlotColor(a,e));else if(!(v==x&&v==this.yPixel0)&&(null!=j&&j.get(c)!=m&&(m=j.get(c),r&&t&&(this.g2d.doStroke(a,!1),this.g2d.doStroke(a,!0),t=!1),!this.pd.isPrinting&&0!=this.pd.integralShiftMode?this.setPlotColor(a,0):m?this.setColorFromToken(a,JSV.common.ScriptToken.INTEGRALPLOTCOLOR):this.setPlotColor(a,-3)),!this.pd.isPrinting||m))t?this.g2d.lineTo(a,A,x): +(this.g2d.drawLine(a,w,v,A,x),t=r)}}}r&&this.g2d.doStroke(a,!1)}else{for(c=s;c<=b;c++)l=n[c],x=this.toPixelY(l.getYVal()),-2147483648!=x&&(w=this.toPixelX(l.getXVal()),v=this.toPixelY(Math.max(this.getScale().minYOnScale,0)),v=this.fixY(g+v),x=this.fixY(g+x),v==x&&(v==this.yPixel0||v==this.yPixel1)||(r?this.g2d.fillRect(a,w-1,x-1,3,3):this.g2d.drawLine(a,w,v,w,x)));!r&&this.getScale().isYZeroOnScale()&&(g+=this.toPixelY(this.getScale().spectrumYRef),g==this.fixY(g)&&this.g2d.drawLine(a,this.xPixel1, +g,this.xPixel0,g))}},"~O,~N,JSV.common.Spectrum,~B,~N,~B,JSV.common.IntegralData,~B,~B,~B");c(c$,"drawFrame",function(a,b,d,c,g){if(!this.pd.gridOn||this.pd.isPrinting)if(this.setColorFromToken(a,JSV.common.ScriptToken.GRIDCOLOR),this.g2d.drawRect(a,this.xPixel0,this.yPixel0,this.xPixels,this.yPixels),this.pd.isPrinting)return;this.setCurrentBoxColor(a);g&&(0<=b&&(this.setPlotColor(a,b),this.fillArrow(a,3,this.xVArrows,w((this.yPixel00+this.yPixel11)/2)-9,!0),this.fillArrow(a,4,this.xVArrows,w((this.yPixel00+ +this.yPixel11)/2)+9,!0),this.setCurrentBoxColor(a)),this.fillArrow(a,3,this.xVArrows,w((this.yPixel00+this.yPixel11)/2)-9,!1),this.fillCircle(a,this.xVArrows,w((this.yPixel00+this.yPixel11)/2),!1),this.fillArrow(a,4,this.xVArrows,w((this.yPixel00+this.yPixel11)/2)+9,!1));if(null==this.imageView&&d){b=this.xPixel00+10;d=this.xPixel11-10;g=this.yPixel00+1;var e=this.yPixel11-2;this.g2d.drawLine(a,b,g,d,g);this.g2d.drawLine(a,d,g,d,e);this.g2d.drawLine(a,b,e,d,e);this.splitterX=this.closerX=-2147483648; +this.drawBox(a,d-10,g,d,g+10,null);this.g2d.drawLine(a,d-10,g+10,d,g);this.g2d.drawLine(a,d,g+10,d-10,g);this.closerX=d-10;this.closerY=g;c&&(d-=10,this.fillBox(a,d-10,g,d,g+10,null),this.splitterX=d-10,this.splitterY=g)}},"~O,~N,~B,~B,~B");c(c$,"drawGrid",function(a){if(this.pd.gridOn&&null==this.imageView){this.setColorFromToken(a,JSV.common.ScriptToken.GRIDCOLOR);var b;if(Double.isNaN(this.getScale().firstX)){b=this.getScale().maxXOnScale+this.getScale().steps[0]/2;for(var d=this.getScale().minXOnScale;d< +b;d+=this.getScale().steps[0]){var c=this.toPixelX(d);this.g2d.drawLine(a,c,this.yPixel0,c,this.yPixel1)}}else{b=1.0001*this.getScale().maxXOnScale;for(d=this.getScale().firstX;d<=b;d+=this.getScale().steps[0])c=this.toPixelX(d),this.g2d.drawLine(a,c,this.yPixel0,c,this.yPixel1)}for(d=this.getScale().firstY;dq;q++){1==q&&JSV.common.ScaleData.fixScale(this.mapX);for(var m=1E10,p=r;p<=n;p+=this.getScale().steps[0]){var h=b.toPixelX(p),s=Double.$valueOf(p),t;switch(q){case 0:t=JU.DF.formatDecimalDbl(p,d);this.mapX.put(s,t);this.drawTick(a,h,g,e,b);h=Math.abs(m-p);m=this.getScale().minorTickCounts[0];if(0!=m){h/=m;for(t=1;th;h++){1==h&&JSV.common.ScaleData.fixScale(this.mapX);for(var l=d.firstY;l +Math.abs(a-(d+5))&&5>Math.abs(b-(c+5))},"~N,~N,~N,~N");c(c$,"setCoordStr",function(a,b){var d=JU.DF.formatDecimalDbl(a,this.getScale().precision[0]);this.pd.coordStr="("+d+(this.haveSingleYScale||0<=this.iSpectrumSelected?", "+JU.DF.formatDecimalDbl(b,this.getScale().precision[1]):"")+")";return d},"~N,~N");c(c$,"setStartupPinTip",function(){if(null==this.pd.startupPinTip)return!1;this.pd.setToolTipText(this.pd.startupPinTip);this.pd.startupPinTip=null;return!0});c(c$,"get2DYLabel",function(a,b){var d= +this.getSpectrumAt(0).getSubSpectra().get(a);return JU.DF.formatDecimalDbl(d.getY2DPPM(),b)+" PPM"+(d.y2DUnits.equals("HZ")?" ("+JU.DF.formatDecimalDbl(d.getY2D(),b)+" HZ) ":"")},"~N,~N");c(c$,"isOnSpectrum",function(a,b,d){var c=null,g=!0,e=0>d;if(e){c=this.getDialog(JSV.common.Annotation.AType.Integration,-1);if(null==c)return!1;c=c.getData().getXYCoords();d=this.getFixedSelectedSpectrumIndex()}else{this.setScale(d);var h=this.spectra.get(d),c=h.xyCoords,g=h.isContinuous()}var h=d*C(this.yPixels* +(this.yStackOffsetPercent/100)),k=this.viewData.getStartingPointIndex(d);d=this.viewData.getEndingPointIndex(d);if(g)for(g=k;gh&&2>Math.abs(c-b))return!0;var k=g-a;if(2>Math.abs(k)&&2>Math.abs(e-b))return!0;var l=c-e;if(2a.size()&&null==this.lastAnnotation&&(this.lastAnnotation=this.getAnnotation((this.getScale().maxXOnScale+this.getScale().minXOnScale)/2,(this.getScale().maxYOnScale+this.getScale().minYOnScale)/ +2,b,!1,!1,0,0));var d=this.getAnnotation(a,this.lastAnnotation);if(null==d)return null;if(null==this.annotations&&1==a.size()&&'"'==a.get(0).charAt(0))return d=d.text,this.getSpectrum().setTitle(d),d;this.lastAnnotation=d;this.addAnnotation(d,!1);return null},"JU.Lst,~S");c(c$,"addHighlight",function(a,b,d,c){null==d&&(d=this.getSpectrumAt(0));a=R(JSV.common.GraphSet.Highlight,this,null,a,b,d,null==c?this.pd.getColor(JSV.common.ScriptToken.HIGHLIGHTCOLOR):c);this.highlights.contains(a)||this.highlights.addLast(a)}, +"~N,~N,JSV.common.Spectrum,javajs.api.GenericColor");c(c$,"addPeakHighlight",function(a){for(var b=this.spectra.size();0<=--b;){var c=this.spectra.get(b);this.removeAllHighlights(c);if(!(null==a||a.isClearAll()||c!==a.spectrum)){var f=a.toString();if(null!=f){var g=JU.PT.getQuotedAttribute(f,"xMin"),f=JU.PT.getQuotedAttribute(f,"xMax");if(null==g||null==f)break;g=JU.PT.parseFloat(g);f=JU.PT.parseFloat(f);if(Float.isNaN(g)||Float.isNaN(f))break;this.pd.addHighlight(this,g,f,c,200,140,140,100);c.setSelectedPeak(a); +!this.getScale().isInRangeX(g)&&!(this.getScale().isInRangeX(f)||gthis.xPixelPlot1-a:20>a-this.xPixelPlot0},"~N,~B");c(c$,"checkWidgetEvent",function(a,b,c){if(!this.widgetsAreSet)return!1;this.widgetsAreSet=!1;if(c){if(2==this.pd.clickCount&&this.lastIntDragX!=a&&!this.is2dClick(a,b)){if(null==this.pendingMeasurement)return-1==this.iSpectrumClicked&&0<=this.iPreviousSpectrumClicked&&this.setSpectrumClicked(this.iPreviousSpectrumClicked),this.processPendingMeasurement(a,b,2),!0}else if(!this.is2dClick(a,b)&&(this.isOnSpectrum(a,b,-1)&&this.checkIntegral(this.toX(a), @@ -2856,346 +2885,347 @@ NaN,!1),this.lastIntDragX==a&&(this.pd.isIntegralDrag=!0,!this.checkIntegral(thi this.imageView.fixX(a)),this.zoomBox2D.yPixel0=b,c=this.zoomBox2D));this.pd.thisWidget=c;return!1}this.nextClickForSetPeak=null;c=this.pd.thisWidget;if(null==c)return!1;if(c===this.zoomBox1D)return this.zoomBox1D.xPixel1=this.fixX(a),this.zoomBox1D.yPixel1=this.fixY(b),this.pd.isIntegralDrag&&this.zoomBox1D.xPixel0!=this.zoomBox1D.xPixel1&&(this.lastIntDragX<=a!=this.zoomBox1D.xPixel0<=a&&(this.zoomBox1D.xPixel0=this.lastIntDragX,this.zoomBox1D.xPixel1=a,this.zoomBox1D.setXVal(this.toX(this.zoomBox1D.xPixel0))), this.lastIntDragX=a,this.checkIntegral(this.zoomBox1D.getXVal(),this.toX(this.zoomBox1D.xPixel1),!1)),!1;if(!this.zoomEnabled)return!1;if(c===this.zoomBox2D)return this.zoomBox2D.xPixel1=this.imageView.fixX(a),this.zoomBox2D.yPixel1=this.fixY(b),!0;if(c===this.cur2Dy)return b=this.fixY(b),this.cur2Dy.yPixel0=this.cur2Dy.yPixel1=b,this.setCurrentSubSpectrum(this.imageView.toSubspectrumIndex(b)),!0;if(c===this.cur2Dx0||c===this.cur2Dx1)return!1;if(c===this.pin1Dx0||c===this.pin1Dx1||c===this.pin1Dx01){a= this.fixX(a);c.setX(this.toX0(a),a);if(c===this.pin1Dx01){c=a-w((this.pin1Dx0.xPixel0+this.pin1Dx1.xPixel0)/2);a=this.pin1Dx0.xPixel0+c;b=this.pin1Dx1.xPixel0+c;if(0==c||this.fixX(a)!=a||this.fixX(b)!=b)return!0;this.pin1Dx0.setX(this.toX0(a),a);this.pin1Dx1.setX(this.toX0(b),b)}this.doZoom(this.pin1Dx0.getXVal(),0,this.pin1Dx1.getXVal(),0,!0,!1,!1,!0,!1);return!0}if(c===this.pin1Dy0||c===this.pin1Dy1||c===this.pin1Dy01){b=this.fixY(b);c.setY(this.toY0(b),b);if(c===this.pin1Dy01){c=b-w((this.pin1Dy0.yPixel0+ -this.pin1Dy1.yPixel0)/2)+1;b=this.pin1Dy0.yPixel0+c;a=this.pin1Dy1.yPixel0+c;c=this.toY0(b);var e=this.toY0(a);if(Math.min(c,e)==this.getScale().minY||Math.max(c,e)==this.getScale().maxY)return!0;this.pin1Dy0.setY(c,b);this.pin1Dy1.setY(e,a)}this.doZoom(0,this.pin1Dy0.getYVal(),0,this.pin1Dy1.getYVal(),null==this.imageView,null==this.imageView,!1,!1,!1);return!0}if(c===this.pin2Dx0||c===this.pin2Dx1||c===this.pin2Dx01){a=this.imageView.fixX(a);c.setX(this.imageView.toX0(a),a);if(c===this.pin2Dx01){c= +this.pin1Dy1.yPixel0)/2)+1;b=this.pin1Dy0.yPixel0+c;a=this.pin1Dy1.yPixel0+c;c=this.toY0(b);var f=this.toY0(a);if(Math.min(c,f)==this.getScale().minY||Math.max(c,f)==this.getScale().maxY)return!0;this.pin1Dy0.setY(c,b);this.pin1Dy1.setY(f,a)}this.doZoom(0,this.pin1Dy0.getYVal(),0,this.pin1Dy1.getYVal(),null==this.imageView,null==this.imageView,!1,!1,!1);return!0}if(c===this.pin2Dx0||c===this.pin2Dx1||c===this.pin2Dx01){a=this.imageView.fixX(a);c.setX(this.imageView.toX0(a),a);if(c===this.pin2Dx01){c= a-w((this.pin2Dx0.xPixel0+this.pin2Dx1.xPixel0)/2)+1;a=this.pin2Dx0.xPixel0+c;b=this.pin2Dx1.xPixel0+c;if(this.imageView.fixX(a)!=a||this.imageView.fixX(b)!=b)return!0;this.pin2Dx0.setX(this.imageView.toX0(a),a);this.pin2Dx1.setX(this.imageView.toX0(b),b)}if(!JSV.common.GraphSet.isGoodEvent(this.pin2Dx0,this.pin2Dx1,!0))return this.reset2D(!0),!0;this.imageView.setView0(this.pin2Dx0.xPixel0,this.pin2Dy0.yPixel0,this.pin2Dx1.xPixel0,this.pin2Dy1.yPixel0);this.doZoom(this.pin2Dx0.getXVal(),this.getScale().minY, this.pin2Dx1.getXVal(),this.getScale().maxY,!1,!1,!1,!0,!1);return!0}if(c===this.pin2Dy0||c===this.pin2Dy1||c===this.pin2Dy01){b=this.fixY(b);c.setY(this.imageView.toSubspectrumIndex(b),b);if(c===this.pin2Dy01){c=b-w((this.pin2Dy0.yPixel0+this.pin2Dy1.yPixel0)/2)+1;b=this.pin2Dy0.yPixel0+c;a=this.pin2Dy1.yPixel0+c;if(b!=this.fixY(b)||a!=this.fixY(a))return!0;this.pin2Dy0.setY(this.imageView.toSubspectrumIndex(b),b);this.pin2Dy1.setY(this.imageView.toSubspectrumIndex(a),a)}if(!JSV.common.GraphSet.isGoodEvent(this.pin2Dy0, -this.pin2Dy1,!1))return this.reset2D(!1),!0;this.imageView.setView0(this.pin2Dx0.xPixel0,this.pin2Dy0.yPixel0,this.pin2Dx1.xPixel1,this.pin2Dy1.yPixel1);return!0}return!1},"~N,~N,~B");c(c$,"clearIntegrals",function(){this.checkIntegral(NaN,0,!1)});c(c$,"clearMeasurements",function(){this.removeDialog(this.getFixedSelectedSpectrumIndex(),JSV.common.Annotation.AType.Measurements)});c$.createGraphSetsAndSetLinkMode=c(c$,"createGraphSetsAndSetLinkMode",function(a,b,c,e,g,f){for(var h=new JU.Lst,k=0;k< -c.size();k++){var l=c.get(k),n=f===JSV.common.PanelData.LinkMode.NONE?JSV.common.GraphSet.findCompatibleGraphSet(h,l):null;null==n&&h.addLast(n=new JSV.common.GraphSet(b.getPanelData()));n.addSpec(l)}JSV.common.GraphSet.setFractionalPositions(a,h,f);for(k=h.size();0<=--k;)h.get(k).initGraphSet(e,g),JU.Logger.info("JSVGraphSet "+(k+1)+" nSpectra = "+h.get(k).nSpectra);return h},"JSV.common.PanelData,JSV.api.JSVPanel,JU.Lst,~N,~N,JSV.common.PanelData.LinkMode");c(c$,"drawGraphSet",function(a,b,c,e, -g,f,h,k,l,n,m,p){this.zoomEnabled=this.pd.getBoolean(JSV.common.ScriptToken.ENABLEZOOM);this.height=g*this.pd.scalingFactor;this.width=e*this.pd.scalingFactor;this.left=f*this.pd.scalingFactor;this.right=h*this.pd.scalingFactor;this.top=k*this.pd.scalingFactor;this.bottom=l*this.pd.scalingFactor;this.$haveSelectedSpectrum=!1;this.selectedSpectrumMeasurements=this.selectedSpectrumIntegrals=null;if(!this.pd.isPrinting&&null!=this.widgets)for(e=0;eMath.abs(this.toPixelX(this.pendingMeasurement.getXVal())-a)&& +b,2);else if(e){if(null!=this.annotations&&(f=(new JSV.common.Coordinate).set(this.imageView.toX(a),this.imageView.toSubspectrumIndex(b)),f=this.findAnnotation2D(f),null!=f&&this.setAnnotationText(f)))return;1==c&&(this.sticky2Dcursor=!1);this.set2DCrossHairs(a,b)}else{if(this.isInPlotRegion(a,b)){if(null!=this.selectedSpectrumIntegrals&&this.checkIntegralNormalizationClick(a,b))return;if(null!=this.pendingMeasurement){this.processPendingMeasurement(a,b,1);return}this.setCoordClicked(a,this.toX(a), +this.toY(b));this.updateDialog(JSV.common.Annotation.AType.PeakList,-1);if(null!=g){this.nextClickForSetPeak=g;this.shiftSpectrum(4,NaN,NaN);this.nextClickForSetPeak=null;return}}else this.setCoordClicked(0,NaN,0);this.pd.notifyPeakPickedListeners(null)}}},"~N,~N,~N,~B");c(c$,"is2dClick",function(a,b){return null!=this.imageView&&a==this.imageView.fixX(a)&&b==this.fixY(b)},"~N,~N");c(c$,"updateDialog",function(a,b){var c=this.getDialog(a,b);if(null!=c&&this.isVisible(c)){var f=this.toX(this.xPixel1)- +this.toX(this.xPixel0),g=this.getSpectrum().isInverted()?this.yPixel1-this.pd.mouseY:this.pd.mouseY-this.yPixel0;c.update(this.pd.coordClicked,f,g)}},"JSV.common.Annotation.AType,~N");c(c$,"isVisible",function(a){return null!=a&&a.isDialog()&&a.isVisible()},"JSV.api.AnnotationData");c(c$,"mousePressedEvent",function(a,b){this.checkWidgetEvent(a,b,!0)},"~N,~N,~N");c(c$,"mouseReleasedEvent",function(a,b){if(null!=this.pendingMeasurement)2>Math.abs(this.toPixelX(this.pendingMeasurement.getXVal())-a)&& (this.pendingMeasurement=null),this.processPendingMeasurement(a,b,-2),this.setToolTipForPixels(a,b);else if(0!=this.pd.integralShiftMode)this.pd.integralShiftMode=0,this.zoomBox1D.xPixel1=this.zoomBox1D.xPixel0;else{0<=this.iSpectrumMovedTo&&this.setScale(this.iSpectrumMovedTo);var c=this.pd.thisWidget;if(this.pd.isIntegralDrag)JSV.common.GraphSet.isGoodEvent(this.zoomBox1D,null,!0)&&this.checkIntegral(this.toX(this.zoomBox1D.xPixel0),this.toX(this.zoomBox1D.xPixel1),!0),this.zoomBox1D.xPixel1=this.zoomBox1D.xPixel0= 0,this.pendingIntegral=null,this.pd.isIntegralDrag=!1;else if(c===this.zoomBox2D)JSV.common.GraphSet.isGoodEvent(this.zoomBox2D,null,!0)&&(this.imageView.setZoom(this.zoomBox2D.xPixel0,this.zoomBox2D.yPixel0,this.zoomBox2D.xPixel1,this.zoomBox2D.yPixel1),this.zoomBox2D.xPixel1=this.zoomBox2D.xPixel0,this.doZoom(this.imageView.toX(this.imageView.xPixel0),this.getScale().minY,this.imageView.toX(this.imageView.xPixel0+this.imageView.xPixels-1),this.getScale().maxY,!1,!1,!1,!0,!0));else if(c===this.zoomBox1D){if(JSV.common.GraphSet.isGoodEvent(this.zoomBox1D, -null,!0)){var c=this.zoomBox1D.xPixel1,e=this.pd.shiftPressed;this.doZoom(this.toX(this.zoomBox1D.xPixel0),e?this.toY(this.zoomBox1D.yPixel0):0,this.toX(c),e?this.toY(this.zoomBox1D.yPixel1):0,!0,e,!0,!0,!0);this.zoomBox1D.xPixel1=this.zoomBox1D.xPixel0}}else(c===this.pin1Dx0||c===this.pin1Dx1||c===this.cur2Dx0||c===this.cur2Dx1)&&this.addCurrentZoom()}},"~N,~N");c(c$,"mouseMovedEvent",function(a,b){if(1a?(this.bsSelected.clearAll(),this.setSpectrumClicked(-1)):(this.bsSelected.set(a),this.setSpectrumClicked(1==this.bsSelected.cardinality()?a:-1),1a?(this.bsSelected.clearAll(),this.setSpectrumClicked(-1)):(this.bsSelected.set(a),this.setSpectrumClicked(1==this.bsSelected.cardinality()?a:-1),1a||(a=b.getPeakList().get(a),b.setSelectedPeak(a), this.setCoordClicked(a.getXPixel(),a.getX(),0),this.pd.notifyPeakPickedListeners(new JSV.common.PeakPickEvent(this.jsvp,this.pd.coordClicked,a)))},"~N");c(c$,"scaleSelectedBy",function(a){for(var b=this.bsSelected.nextSetBit(0);0<=b;b=this.bsSelected.nextSetBit(b+1))this.viewData.scaleSpectrum(b,a)},"~N");h(c$,"toString",function(){return"gs: "+this.nSpectra+" "+this.spectra+" "+this.spectra.get(0).getFilePath()});c(c$,"setXPointer",function(a,b){null!=a&&this.setSpectrumClicked(this.getSpectrumIndex(a)); this.xValueMovedTo=this.lastClickX=b;this.lastPixelX=this.toPixelX(b);this.setXPixelMovedTo(b,1.7976931348623157E308,0,0);this.yValueMovedTo=NaN},"JSV.common.Spectrum,~N");c(c$,"setXPointer2",function(a,b){null!=a&&this.setSpectrumClicked(this.getSpectrumIndex(a));this.setXPixelMovedTo(1.7976931348623157E308,b,0,0)},"JSV.common.Spectrum,~N");c(c$,"hasCurrentMeasurement",function(a){return null!=(a===JSV.common.Annotation.AType.Integration?this.selectedSpectrumIntegrals:this.selectedSpectrumMeasurements)}, "JSV.common.Annotation.AType");c(c$,"getDialog",function(a,b){-1==b&&(b=this.getCurrentSpectrumIndex());return null==this.dialogs||0>b?null:this.dialogs.get(a+"_"+b)},"JSV.common.Annotation.AType,~N");c(c$,"removeDialog",function(a,b){null!=this.dialogs&&0<=a&&this.dialogs.remove(b+"_"+a)},"~N,JSV.common.Annotation.AType");c(c$,"addDialog",function(a,b,c){null==this.dialogs&&(this.dialogs=new java.util.Hashtable);a=b+"_"+a;c.setGraphSetKey(a);this.dialogs.put(a,c);return c},"~N,JSV.common.Annotation.AType,JSV.api.AnnotationData"); -c(c$,"removeDialog",function(a){var b=a.getGraphSetKey();this.dialogs.remove(b);a=a.getData();null!=a&&this.dialogs.put(b,a)},"JSV.dialog.JSVDialog");c(c$,"getPeakListing",function(a,b,c){0>a&&(a=this.getCurrentSpectrumIndex());if(0>a)return null;var e=this.getDialog(JSV.common.Annotation.AType.PeakList,-1);if(null==e){if(!c)return null;this.addDialog(a,JSV.common.Annotation.AType.PeakList,e=new JSV.common.PeakData(JSV.common.Annotation.AType.PeakList,this.getSpectrum()))}e.getData().setPeakList(b, --2147483648,this.viewData.getScale());e.isDialog()&&e.setFields();return e.getData()},"~N,JSV.common.Parameters,~B");c(c$,"setPeakListing",function(a){var b=this.getDialog(JSV.common.Annotation.AType.PeakList,-1),c=null!=b&&b.isDialog()?b:null;(null==a?null==c||!c.isVisible():a.booleanValue())?this.pd.showDialog(JSV.common.Annotation.AType.PeakList):b.isDialog()&&b.setVisible(!1)},"Boolean");c(c$,"haveIntegralDisplayed",function(a){a=this.getDialog(JSV.common.Annotation.AType.Integration,a);return null!= +c(c$,"removeDialog",function(a){var b=a.getGraphSetKey();this.dialogs.remove(b);a=a.getData();null!=a&&this.dialogs.put(b,a)},"JSV.dialog.JSVDialog");c(c$,"getPeakListing",function(a,b,c){0>a&&(a=this.getCurrentSpectrumIndex());if(0>a)return null;var f=this.getDialog(JSV.common.Annotation.AType.PeakList,-1);if(null==f){if(!c)return null;this.addDialog(a,JSV.common.Annotation.AType.PeakList,f=new JSV.common.PeakData(JSV.common.Annotation.AType.PeakList,this.getSpectrum()))}f.getData().setPeakList(b, +-2147483648,this.viewData.getScale());f.isDialog()&&f.setFields();return f.getData()},"~N,JSV.common.Parameters,~B");c(c$,"setPeakListing",function(a){var b=this.getDialog(JSV.common.Annotation.AType.PeakList,-1),c=null!=b&&b.isDialog()?b:null;(null==a?null==c||!c.isVisible():a.booleanValue())?this.pd.showDialog(JSV.common.Annotation.AType.PeakList):b.isDialog()&&b.setVisible(!1)},"Boolean");c(c$,"haveIntegralDisplayed",function(a){a=this.getDialog(JSV.common.Annotation.AType.Integration,a);return null!= a&&a.getState()},"~N");c(c$,"getIntegrationGraph",function(a){a=this.getDialog(JSV.common.Annotation.AType.Integration,a);return null==a?null:a.getData()},"~N");c(c$,"setIntegrationRatios",function(a){var b=this.getFixedSelectedSpectrumIndex();null==this.aIntegrationRatios&&(this.aIntegrationRatios=Array(this.nSpectra));this.aIntegrationRatios[b]=JSV.common.IntegralData.getIntegrationRatiosFromString(this.getSpectrum(),a)},"~S");c(c$,"getIntegrationRatios",function(a){return null==this.aIntegrationRatios? -null:this.aIntegrationRatios[a]},"~N");c(c$,"integrate",function(a,b){var c=this.getSpectrumAt(a);if(null==b||!c.canIntegrate())return this.removeDialog(a,JSV.common.Annotation.AType.Integration),!1;this.addDialog(a,JSV.common.Annotation.AType.Integration,new JSV.common.IntegralData(c,b));return!0},"~N,JSV.common.Parameters");c(c$,"getIntegration",function(a,b,c){0>a&&(a=this.getCurrentSpectrumIndex());if(0>a)return null;var e=this.getDialog(JSV.common.Annotation.AType.Integration,-1);if(null==e){if(!c)return null; -e=this.addDialog(a,JSV.common.Annotation.AType.Integration,new JSV.common.IntegralData(this.getSpectrum(),b))}return e.getData()},"~N,JSV.common.Parameters,~B");c(c$,"getMeasurementInfo",function(a,b){var c;switch(a){case JSV.common.Annotation.AType.PeakList:c=this.getPeakListing(b,null,!1);break;case JSV.common.Annotation.AType.Integration:c=this.getIntegration(b,null,!1);break;default:return null}if(null==c)return null;var e=new java.util.Hashtable;c.getInfo(e);return e},"JSV.common.Annotation.AType,~N"); -c(c$,"getInfo",function(a,b){var c=new java.util.Hashtable;if("".equals(a))c.put("KEYS","viewInfo spectra");else if("viewInfo".equalsIgnoreCase(a))return this.getScale().getInfo(c);var e=new JU.Lst;c.put("spectra",e);for(var g=0;gthis.nSpectra)a=Array(this.nSpectra),System.arraycopy(b,0,a,0,this.nSpectra),b=a;else if(this.nSpectra>b.length){a=Array(this.nSpectra); -var c=this.nSpectra-b.length;System.arraycopy(b,0,a,0,b.length);for(var e=0,b=b.length;ea&&(a=this.getCurrentSpectrumIndex());if(0>a)return null;var f=this.getDialog(JSV.common.Annotation.AType.Integration,-1);if(null==f){if(!c)return null; +f=this.addDialog(a,JSV.common.Annotation.AType.Integration,new JSV.common.IntegralData(this.getSpectrum(),b))}return f.getData()},"~N,JSV.common.Parameters,~B");c(c$,"getMeasurementInfo",function(a,b){var c;switch(a){case JSV.common.Annotation.AType.PeakList:c=this.getPeakListing(b,null,!1);break;case JSV.common.Annotation.AType.Integration:c=this.getIntegration(b,null,!1);break;default:return null}if(null==c)return null;var f=new java.util.Hashtable;c.getInfo(f);return f},"JSV.common.Annotation.AType,~N"); +c(c$,"getInfo",function(a,b){var c=new java.util.Hashtable;if("".equals(a))c.put("KEYS","viewInfo spectra");else if("viewInfo".equalsIgnoreCase(a))return this.getScale().getInfo(c);var f=new JU.Lst;c.put("spectra",f);for(var g=0;gthis.nSpectra)a=Array(this.nSpectra),System.arraycopy(b,0,a,0,this.nSpectra),b=a;else if(this.nSpectra>b.length){a=Array(this.nSpectra); +var c=this.nSpectra-b.length;System.arraycopy(b,0,a,0,b.length);for(var f=0,b=b.length;f=this.plotColors.length?null:this.plotColors[a]},"~N");c(c$,"setColorFromToken",function(a,b){null!=b&&this.g2d.setGraphicsColor(a,b===JSV.common.ScriptToken.PLOTCOLOR?this.plotColors[0]:this.pd.getColor(b))},"~O,JSV.common.ScriptToken");c(c$,"setPlotColor",function(a,b){var c;switch(b){case -3:c=JSV.common.GraphSet.veryLightGrey;break;case -2:c=this.pd.BLACK;break;case -1:c=this.pd.getColor(JSV.common.ScriptToken.INTEGRALPLOTCOLOR); break;default:c=this.plotColors[b]}this.g2d.setGraphicsColor(a,c)},"~O,~N");c(c$,"draw2DImage",function(){null!=this.imageView&&this.g2d.drawGrayScaleImage(this.gMain,this.image2D,this.imageView.xPixel0,this.imageView.yPixel0,this.imageView.xPixel0+this.imageView.xPixels-1,this.imageView.yPixel0+this.imageView.yPixels-1,this.imageView.xView1,this.imageView.yView1,this.imageView.xView2,this.imageView.yView2)});c(c$,"get2DImage",function(){this.imageView=new JSV.common.ImageView;this.imageView.set(this.viewList.get(0).getScale()); if(!this.update2dImage(!0))return!1;this.imageView.resetZoom();return this.sticky2Dcursor=!0},"JSV.common.Spectrum");c(c$,"update2dImage",function(a){this.imageView.set(this.viewData.getScale());var b=this.getSpectrumAt(0),c=this.imageView.get2dBuffer(b,!a);if(null==c)return this.imageView=this.image2D=null,!1;a&&(c=this.imageView.adjustView(b,this.viewData),this.imageView.resetView());this.image2D=this.g2d.newGrayScaleImage(this.gMain,this.image2D,this.imageView.imageWidth,this.imageView.imageHeight, -c);this.setImageWindow();return!0},"~B");c(c$,"getAnnotation",function(a,b,c,e,g,f,h){return(new JSV.common.ColoredAnnotation).setCA(a,b,this.getSpectrum(),c,this.pd.BLACK,e,g,f,h)},"~N,~N,~S,~B,~B,~N,~N");c(c$,"getAnnotation",function(a,b){return 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JSV.common.ScriptToken.SHOWKEY:case JSV.common.ScriptToken.SHOWPEAKLIST:case JSV.common.ScriptToken.SHOWINTEGRATION:case JSV.common.ScriptToken.SHOWPROPERTIES:case JSV.common.ScriptToken.SHOWSOURCE:case JSV.common.ScriptToken.YSCALE:case JSV.common.ScriptToken.WRITE:case JSV.common.ScriptToken.ZOOM:if(this.isClosed()){b= -!1;break}switch(k){case JSV.common.ScriptToken.FINDX:this.pd().findX(null,Double.parseDouble(f));break;case JSV.common.ScriptToken.GETSOLUTIONCOLOR:this.show("solutioncolor"+f.toLowerCase());break;case JSV.common.ScriptToken.INTEGRATION:case JSV.common.ScriptToken.INTEGRATE:this.execIntegrate(f);break;case JSV.common.ScriptToken.IRMODE:this.execIRMode(f);break;case JSV.common.ScriptToken.LABEL:this.pd().addAnnotation(JSV.common.ScriptToken.getTokens(f));break;case JSV.common.ScriptToken.LINK:this.pd().linkSpectra(JSV.common.PanelData.LinkMode.getMode(f)); -break;case JSV.common.ScriptToken.OVERLAYSTACKED:this.pd().splitStack(!JSV.common.Parameters.isTrue(f));break;case JSV.common.ScriptToken.PRINT:e=this.execWrite(null);break;case JSV.common.ScriptToken.SETPEAK:case JSV.common.ScriptToken.SETX:case JSV.common.ScriptToken.SHIFTX:this.execShiftSpectrum(k,g);break;case JSV.common.ScriptToken.SHOWERRORS:this.show("errors");break;case JSV.common.ScriptToken.SHOWINTEGRATION:this.pd().showAnnotation(JSV.common.Annotation.AType.Integration,JSV.common.Parameters.getTFToggle(f)); -break;case JSV.common.ScriptToken.SHOWKEY:this.setOverlayLegendVisibility(JSV.common.Parameters.getTFToggle(f),!0);break;case JSV.common.ScriptToken.SHOWMEASUREMENTS:this.pd().showAnnotation(JSV.common.Annotation.AType.Measurements,JSV.common.Parameters.getTFToggle(f));break;case JSV.common.ScriptToken.SHOWMENU:this.showMenu(-2147483648,0);break;case JSV.common.ScriptToken.SHOWPEAKLIST:this.pd().showAnnotation(JSV.common.Annotation.AType.PeakList,JSV.common.Parameters.getTFToggle(f));break;case JSV.common.ScriptToken.SHOWPROPERTIES:this.show("properties"); -break;case JSV.common.ScriptToken.SHOWSOURCE:this.show("source");break;case JSV.common.ScriptToken.YSCALE:this.setYScale(f);break;case JSV.common.ScriptToken.WINDOW:this.si.siNewWindow(JSV.common.Parameters.isTrue(f),!1);break;case JSV.common.ScriptToken.WRITE:e=this.execWrite(f);break;case JSV.common.ScriptToken.ZOOM:b=this.execZoom(f)}}}catch(m){if(D(m,Exception))e=m.toString(),JU.Logger.error(m.toString()),b=!1,--c;else throw m;}}}this.scriptLevelCount--;this.si.siExecScriptComplete(e,!0);return b}, -"~S");c(c$,"execShiftSpectrum",function(a,b){var c=JSV.common.ScriptToken.getTokens(b),e=NaN,g=NaN;switch(c.size()){case 2:g=c.get(1);g.equals("")&&(g="?");g=g.equalsIgnoreCase("NONE")?1.7976931348623157E308:g.equalsIgnoreCase("?")?NaN:Double.parseDouble(g);break;case 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h=Double.$valueOf(c.substring(0,g).trim()).doubleValue(),k=Double.$valueOf(c.substring(g+1).trim()).doubleValue();0==k&&0==h&&this.clear();if(k!=h){var l=this.addIntegralRegion(Math.max(k,h),Math.min(k,h));null!=l&&0e&&(e=this.integralTotal);this.integralTotal=e-g;this.intRange=this.percentRange/100/this.integralTotal;this.offset=this.percentOffset/100;g=0;for(c=a.length;0<=--c;)f= +a[c].getYVal(),g+=f-b,this.xyCoords[c]=(new JSV.common.Coordinate).set(a[c].getXVal(),g*this.intRange+this.offset);return this.xyCoords});c(c$,"checkRange",function(){this.percentOffset=Math.max(5,this.percentOffset);this.percentRange=Math.max(10,this.percentRange)});c$.getIntegrationRatiosFromString=c(c$,"getIntegrationRatiosFromString",function(a,b){for(var c=new JU.Lst,f=new java.util.StringTokenizer(b,",");f.hasMoreTokens();){var g=f.nextToken(),g=new java.util.StringTokenizer(g,":"),g=(new JSV.common.Annotation).setA(Double.parseDouble(g.nextToken()), +0,a,g.nextToken(),!0,!1,0,0);c.addLast(g)}return 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JSV.common.Spectrum.IRMode.TO_TRANS:if(!a.isAbsorbance())return a}var c=a.getConvertedSpectrum();return null!=c?c:a.isAbsorbance()?JSV.common.Spectrum.toT(a):JSV.common.Spectrum.toA(a)},"JSV.common.Spectrum,JSV.common.Spectrum.IRMode");c$.toT=c(c$,"toT",function(a){if(!a.isAbsorbance())return null;var b=a.getXYCoords(), +c=Array(b.length);JSV.common.Coordinate.isYInRange(b,0,4)||(b=JSV.common.Coordinate.normalise(b,0,4));for(var f=0;f=a?1:Math.pow(10,-a)},"~N");c$.log10=c(c$,"log10",function(a){return Math.log(a)/Math.log(10)},"~N");c$.process=c(c$,"process",function(a,b){if(b===JSV.common.Spectrum.IRMode.TO_ABS||b===JSV.common.Spectrum.IRMode.TO_TRANS)for(var c=0;cZ&&(V=1E5*Integer.parseInt(U),U=null);if(null!=U&&(V=1E5*Integer.parseInt(aa=U.substring(0,Z)),U=U.substring(Z+1),Z=U.indexOf("."),0>Z&&(V+=1E3*Integer.parseInt(U),U=null),null!=U)){var wa=U.substring(0,Z);na=aa+("."+wa);V+=1E3*Integer.parseInt(wa);U=U.substring(Z+1);Z=U.indexOf("_");0<=Z&&(U=U.substring(0,Z));Z=U.indexOf(" 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c.toString()},"~S");c$.getBufferedReaderForInputStream=c(c$,"getBufferedReaderForInputStream",function(a){try{return new java.io.BufferedReader(new java.io.InputStreamReader(a,"UTF-8"))}catch(b){if(D(b,Exception))return null;throw b;}},"java.io.InputStream");c$.getBufferedReaderForStringOrBytes= +c(c$,"getBufferedReaderForStringOrBytes",function(a){return null==a?null:new java.io.BufferedReader(new java.io.StringReader(s(a,String)?a:String.instantialize(a)))},"~O");c$.getBufferedReaderFromName=c(c$,"getBufferedReaderFromName",function(a,b){if(null==a)throw new JSV.exception.JSVException("Cannot find "+a);JU.Logger.info("JSVFileManager getBufferedReaderFromName "+a);var c=JSV.common.JSVFileManager.getFullPathName(a);c.equals(a)||JU.Logger.info("JSVFileManager getBufferedReaderFromName "+c); +return JSV.common.JSVFileManager.getUnzippedBufferedReaderFromName(c,b)},"~S,~S");c$.getFullPathName=c(c$,"getFullPathName",function(a){try{if(null==JSV.common.JSVFileManager.appletDocumentBase){if(JSV.common.JSVFileManager.isURL(a)){var b=new java.net.URL(ba("java.net.URL"),a,null);return b.toString()}return JSV.common.JSVFileManager.viewer.apiPlatform.newFile(a).getFullPath()}if(1==a.indexOf(":\\")||1==a.indexOf(":/"))a="file:///"+a;else if(a.startsWith("cache://"))return a;b=new java.net.URL(JSV.common.JSVFileManager.appletDocumentBase, +a,null);return b.toString()}catch(c){if(D(c,Exception))throw new JSV.exception.JSVException("Cannot create path for "+a);throw c;}},"~S");c$.isURL=c(c$,"isURL",function(a){for(var b=JSV.common.JSVFileManager.urlPrefixes.length;0<=--b;)if(a.startsWith(JSV.common.JSVFileManager.urlPrefixes[b]))return!0;return!1},"~S");c$.urlTypeIndex=c(c$,"urlTypeIndex",function(a){for(var b=0;ba||4==a},"~S");c$.getUnzippedBufferedReaderFromName=c(c$,"getUnzippedBufferedReaderFromName",function(a){var b=null;0<=a.indexOf("|")&&(b=JU.PT.split(a,"|"),null!=b&&0=f.length&&(f=JU.AU.ensureLengthByte(f,2*e)),System.arraycopy(c,0,f,e-g,g)):b.write(c,0,g);a.close();return null==b?JU.AU.arrayCopyByte(f,e):e+" bytes"}catch(h){if(D(h,Exception))throw new JSV.exception.JSVException(h.toString());throw h;}},"java.io.BufferedInputStream,JU.OC");c$.postByteArray=c(c$,"postByteArray", +function(a,b){var c=null;try{c=JSV.common.JSVFileManager.getInputStream(a,!1,b)}catch(f){if(D(f,Exception))c=f.toString();else throw f;}if(s(c,String))return c;try{c=JSV.common.JSVFileManager.getStreamAsBytes(c,null)}catch(g){if(D(g,JSV.exception.JSVException))try{c.close()}catch(e){if(!D(e,Exception))throw e;}else throw g;}return null==c?"":JSV.common.JSVFileManager.fixUTF(c)},"~S,~A");c$.getUTFEncoding=c(c$,"getUTFEncoding",function(a){return 3<=a.length&&239==a[0]&&187==a[1]&&191==a[2]?JU.Encoding.UTF8: +4<=a.length&&0==a[0]&&0==a[1]&&254==a[2]&&255==a[3]?JU.Encoding.UTF_32BE:4<=a.length&&255==a[0]&&254==a[1]&&0==a[2]&&0==a[3]?JU.Encoding.UTF_32LE:2<=a.length&&255==a[0]&&254==a[1]?JU.Encoding.UTF_16LE:2<=a.length&&254==a[0]&&255==a[1]?JU.Encoding.UTF_16BE:JU.Encoding.NONE},"~A");c$.fixUTF=c(c$,"fixUTF",function(a){var b=JSV.common.JSVFileManager.getUTFEncoding(a);if(b!==JU.Encoding.NONE)try{var c=String.instantialize(a,b.name().$replace("_","-"));switch(b){case JU.Encoding.UTF8:case JU.Encoding.UTF_16BE:case JU.Encoding.UTF_16LE:c= +c.substring(1)}return c}catch(f){if(D(f,java.io.IOException))JU.Logger.error("fixUTF error "+f);else throw f;}return String.instantialize(a)},"~A");c$.getInputStream=c(c$,"getInputStream",function(a,b,c){var f=JSV.common.JSVFileManager.isURL(a),g=null!=JSV.common.JSVFileManager.appletDocumentBase,e=null,e=null,h;if(f&&0<=(h=a.indexOf("?POST?")))e=a.substring(h+6),a=a.substring(0,h);if(g||f){var k;try{k=new java.net.URL(JSV.common.JSVFileManager.appletDocumentBase,a,null)}catch(l){if(D(l,Exception))throw new JSV.exception.JSVException("Cannot read "+ +a);throw l;}JU.Logger.info("JSVFileManager opening URL "+k+(null==e?"":" with POST of "+e.length+" bytes"));e=JSV.common.JSVFileManager.viewer.apiPlatform.getURLContents(k,c,e,!1)}else b&&JU.Logger.info("JSVFileManager opening file "+a),e=JSV.common.JSVFileManager.viewer.apiPlatform.getBufferedFileInputStream(a);if(s(e,String))throw new JSV.exception.JSVException(e);return e},"~S,~B,~A");c$.getNMRSimulationJCampDX=c(c$,"getNMRSimulationJCampDX",function(a){var b=0,c=null,f=JSV.common.JSVFileManager.getSimulationType(a); +a.startsWith(f)&&(a=a.substring(f.length+1));var g=a.startsWith("MOL=");g&&(a=a.substring(4),b=a.indexOf("/n__Jmol"),0\n";if(h){for(var b=b.get("spectrum13C"),h=b.get("jcamp").get("value"),n=b.get("predCSNuc"),q=new JU.SB,p=n.size();0<=--p;)b= +n.get(p),q.append("\n"); +q.append("");m+=q.toString()}else{m=JU.PT.rep(b.get("xml"),"",m);if(null!=l){q=new JU.SB;m=JU.PT.split(m,' atoms="');q.append(m[0]);for(p=1;p<",">\n<");m=JU.PT.rep(m,'\\"','"');h=b.get("jcamp")}JU.Logger.debugging&&JU.Logger.info(m);JSV.common.JSVFileManager.cachePut("xml",m);h="##TITLE="+(g?"JMOL SIMULATION/"+ +f:a)+"\n"+h.substring(h.indexOf("\n##")+1);b=c.indexOf("\n");b=c.indexOf("\n",b+1);0\n"))return JU.Logger.error(a),!0;if(0<=a.indexOf("this.scriptLevelCount&&this.runScriptNow(m)}break;case JSV.common.ScriptToken.SELECT:this.execSelect(e);break; +case JSV.common.ScriptToken.SPECTRUM:case JSV.common.ScriptToken.SPECTRUMNUMBER:this.setSpectrum(e)||(b=!1);break;case JSV.common.ScriptToken.STACKOFFSETY:this.execOverlayOffsetY(JU.PT.parseInt(""+JU.PT.parseFloat(e)));break;case JSV.common.ScriptToken.TEST:this.si.siExecTest(e);break;case JSV.common.ScriptToken.OVERLAY:case JSV.common.ScriptToken.VIEW:this.execView(e,!0);break;case JSV.common.ScriptToken.HIGHLIGHT:b=this.highlight(g);break;case JSV.common.ScriptToken.FINDX:case JSV.common.ScriptToken.GETSOLUTIONCOLOR:case JSV.common.ScriptToken.INTEGRATION:case JSV.common.ScriptToken.INTEGRATE:case JSV.common.ScriptToken.IRMODE:case JSV.common.ScriptToken.LABEL:case JSV.common.ScriptToken.LINK:case JSV.common.ScriptToken.OVERLAYSTACKED:case JSV.common.ScriptToken.PRINT:case JSV.common.ScriptToken.SETPEAK:case JSV.common.ScriptToken.SETX:case JSV.common.ScriptToken.SHIFTX:case JSV.common.ScriptToken.SHOWERRORS:case JSV.common.ScriptToken.SHOWMEASUREMENTS:case JSV.common.ScriptToken.SHOWMENU:case JSV.common.ScriptToken.SHOWKEY:case JSV.common.ScriptToken.SHOWPEAKLIST:case JSV.common.ScriptToken.SHOWINTEGRATION:case JSV.common.ScriptToken.SHOWPROPERTIES:case JSV.common.ScriptToken.SHOWSOURCE:case JSV.common.ScriptToken.YSCALE:case JSV.common.ScriptToken.WRITE:case JSV.common.ScriptToken.ZOOM:if(this.isClosed()){b= +!1;break}switch(k){case JSV.common.ScriptToken.FINDX:this.pd().findX(null,Double.parseDouble(e));break;case JSV.common.ScriptToken.GETSOLUTIONCOLOR:this.show("solutioncolor"+e.toLowerCase());break;case JSV.common.ScriptToken.INTEGRATION:case JSV.common.ScriptToken.INTEGRATE:this.execIntegrate(e);break;case JSV.common.ScriptToken.IRMODE:this.execIRMode(e);break;case JSV.common.ScriptToken.LABEL:this.pd().addAnnotation(JSV.common.ScriptToken.getTokens(e));break;case JSV.common.ScriptToken.LINK:this.pd().linkSpectra(JSV.common.PanelData.LinkMode.getMode(e)); +break;case JSV.common.ScriptToken.OVERLAYSTACKED:this.pd().splitStack(!JSV.common.Parameters.isTrue(e));break;case JSV.common.ScriptToken.PRINT:f=this.execWrite(null);break;case JSV.common.ScriptToken.SETPEAK:case JSV.common.ScriptToken.SETX:case JSV.common.ScriptToken.SHIFTX:this.execShiftSpectrum(k,g);break;case JSV.common.ScriptToken.SHOWERRORS:this.show("errors");break;case JSV.common.ScriptToken.SHOWINTEGRATION:this.pd().showAnnotation(JSV.common.Annotation.AType.Integration,JSV.common.Parameters.getTFToggle(e)); +break;case JSV.common.ScriptToken.SHOWKEY:this.setOverlayLegendVisibility(JSV.common.Parameters.getTFToggle(e),!0);break;case JSV.common.ScriptToken.SHOWMEASUREMENTS:this.pd().showAnnotation(JSV.common.Annotation.AType.Measurements,JSV.common.Parameters.getTFToggle(e));break;case JSV.common.ScriptToken.SHOWMENU:this.showMenu(-2147483648,0);break;case JSV.common.ScriptToken.SHOWPEAKLIST:this.pd().showAnnotation(JSV.common.Annotation.AType.PeakList,JSV.common.Parameters.getTFToggle(e));break;case JSV.common.ScriptToken.SHOWPROPERTIES:this.show("properties"); +break;case JSV.common.ScriptToken.SHOWSOURCE:this.show("source");break;case JSV.common.ScriptToken.YSCALE:this.setYScale(e);break;case JSV.common.ScriptToken.WINDOW:this.si.siNewWindow(JSV.common.Parameters.isTrue(e),!1);break;case JSV.common.ScriptToken.WRITE:f=this.execWrite(e);break;case 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b=!a.startsWith("!");b||(a=a.substring(1));this.close(JU.PT.trimQuotes(a));(!b||0==this.panelNodes.size())&&this.si.siValidateAndRepaint(!0)},"~S");c(c$,"checkOvelayInterface",function(a){return a.equalsIgnoreCase("single")||a.equalsIgnoreCase("overlay")},"~S");c(c$,"execPeak",function(a){try{var b=JSV.common.ScriptToken.getTokens(JU.PT.rep(a, +"#","INDEX="));a=' type="'+b.get(0).toUpperCase()+'" _match="'+JU.PT.trimQuotes(b.get(1).toUpperCase())+'"';2a.indexOf("="))this.isClosed()||this.pd().getPeakListing(null,c);else{var c=JSV.common.ScriptToken.getTokens(a),f=b.peakListThreshold, +g=b.peakListInterpolation;try{for(var e=c.size();0<=--e;){var h=c.get(e),k=h.indexOf("=");if(!(0>=k)){var 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"+b+" : "+g);try{switch(g){default:this.parameters.set(null,g,b);break;case JSV.common.ScriptToken.UNKNOWN:break;case JSV.common.ScriptToken.APPLETID:this.fullName=this.appletName+"__"+(this.appletName=b)+"__";e=null;self.Jmol&&(e=Jmol._applets[b]);this.html5Applet=e;break;case JSV.common.ScriptToken.AUTOINTEGRATE:this.autoIntegrate=JSV.common.Parameters.isTrue(b);break;case JSV.common.ScriptToken.COMPOUNDMENUON:break;case JSV.common.ScriptToken.APPLETREADYCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.COORDCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.LOADFILECALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.PEAKCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.SYNCCALLBACKFUNCTIONNAME:this.si.siExecSetCallback(g, -b);break;case JSV.common.ScriptToken.ENDINDEX:this.initialEndIndex=Integer.parseInt(b);break;case JSV.common.ScriptToken.INTERFACE:this.checkOvelayInterface(b);break;case JSV.common.ScriptToken.IRMODE:this.setIRmode(b);break;case JSV.common.ScriptToken.MENUON:this.allowMenu=Boolean.parseBoolean(b);break;case JSV.common.ScriptToken.OBSCURE:null==this.obscureTitleFromUser&&(this.obscureTitleFromUser=Boolean.$valueOf(b));break;case JSV.common.ScriptToken.STARTINDEX:this.initialStartIndex=Integer.parseInt(b); -break;case JSV.common.ScriptToken.SYNCID:this.fullName=this.appletName+"__"+(this.syncID=b)+"__"}}catch(f){if(!D(f,Exception))throw f;}}},"~S");c(c$,"getSolutionColorStr",function(a){a=JU.CU.colorPtFromInt(this.getSolutionColor(a),null);return C(a.x)+","+C(a.y)+","+C(a.z)},"~B");c(c$,"checkCommandLineForTip",function(a,b,c){var e="\u0001"==a;if(!e&&"\x00"!=a){if("\t"!=a&&("\n"==a||32>a.charCodeAt(0)||126b.indexOf(" ")&&0 src="JPECVIEW" 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e=this.get(c);(0==e.text.length||e.overlaps(a,b))&&this.removeItemAt(c)}}, -"~N,~N");c(c$,"find",function(a){for(var b=this.size();0<=--b;)if(this.get(b).overlaps(a,a))return b;return-1},"~N");h(c$,"setSpecShift",function(a){for(var b=this.size();0<=--b;){var c=this.get(b),e=c.getXVal()+a;c.setXVal(e);c.setValue(e);c.text=JU.DF.formatDecimalDbl(e,this.precision)}},"~N");h(c$,"getGraphSetKey",function(){return this.key});h(c$,"setGraphSetKey",function(a){this.key=a},"~S");h(c$,"isVisible",function(){return!0});c(c$,"getInfo",function(a){a.put("header",this.getDataHeader()); -a.put("table",this.getMeasurementListArrayReal("ppm"));null!=this.units&&a.put("units",this.units)},"java.util.Map");h(c$,"isDialog",function(){return!1});c$.HEADER=c$.prototype.HEADER=A(-1,["","start","end","value"])});r("JSV.common");x(["java.lang.Enum","J.api.EventManager","java.util.Hashtable","JU.Lst"],"JSV.common.PanelData","java.lang.Boolean $.Double JU.CU JSV.common.Annotation $.Coordinate $.GraphSet 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-this.thisWidth=this.nSpectra=this.clickCount=0;this.titleFontName=this.displayFontName=this.viewTitle=this.commonFilePath=null;this.isPrinting=!1;this.doReset=!0;this.printingFontName=null;this.printGraphPosition="default";this.isLinked=this.display1D=this.titleDrawn=!1;this.spectra=this.printJobTitle=null;this.taintedAll=!0;this.testingJavaScript=!1;this.mouseState=this.currentFont=null;this.peakTabsOn=this.titleOn=this.gridOn=!1;this.mouseY=this.mouseX=0;this.linking=!1;this.xPixelClicked=0;this.gMain= -this.optionsSaved=this.bgcolor=this.BLACK=this.zoomBoxColor2=this.zoomBoxColor=this.highlightColor=this.unitsColor=this.titleColor=this.scaleColor=this.plotAreaColor=this.peakTabColor=this.integralPlotColor=this.gridColor=this.coordinatesColor=null;s(this,arguments)},JSV.common,"PanelData",null,J.api.EventManager);O(c$,function(){this.listeners=new JU.Lst;this.options=new java.util.Hashtable});t(c$,function(a,b){this.vwr=b;this.jsvp=a;this.g2d=this.g2d0=b.g2d;this.BLACK=this.g2d.getColor1(0);this.highlightColor= -this.g2d.getColor4(255,0,0,200);this.zoomBoxColor=this.g2d.getColor4(150,150,100,130);this.zoomBoxColor2=this.g2d.getColor4(150,100,100,130)},"JSV.api.JSVPanel,JSV.common.JSViewer");c(c$,"addListener",function(a){this.listeners.contains(a)||this.listeners.addLast(a)},"JSV.api.PanelListener");c(c$,"getCurrentGraphSet",function(){return this.currentGraphSet});c(c$,"dispose",function(){this.jsvp=null;for(var a=0;ac&&(g=w(14*c/f),10>g&&(g=10),g=this.getFont(a,c,this.isPrinting||this.getBoolean(JSV.common.ScriptToken.TITLEBOLDON)?1:0,g,!0));this.g2d.setGraphicsColor(a,this.titleColor);this.setCurrentFont(this.g2d.setFont(a, -g));this.g2d.drawString(a,e,this.isPrinting?this.left*this.scalingFactor:5,b-w(g.getHeight()*(this.isPrinting?2:0.5)))},"~O,~N,~N,~S");c(c$,"setCurrentFont",function(a){this.currentFont=a},"JU.Font");c(c$,"getFontHeight",function(){return this.currentFont.getAscent()});c(c$,"getStringWidth",function(a){return this.currentFont.stringWidth(a)},"~S");c(c$,"selectFromEntireSet",function(a){for(var b=0,c=0;ba||a==c)&&this.graphSets.get(b).setSelected(g)},"~N");c(c$,"addToList",function(a,b){for(var c=0;ca||c==a)&&b.addLast(this.spectra.get(c))},"~N,JU.Lst");c(c$,"scaleSelectedBy",function(a){for(var b=this.graphSets.size();0<=--b;)this.graphSets.get(b).scaleSelectedBy(a)},"~N");c(c$,"setCurrentGraphSet",function(a,b){var c=1a||a>=this.currentGraphSet.nSpectra)){this.currentSplitPoint=a;b&&this.setSpectrum(this.currentSplitPoint,1b&&(e=b*e/400):250>b&&(e=b*e/250); -b=this.jsvp.getFontFaceID(this.isPrinting?this.printingFontName:this.displayFontName);return this.currentFont=JU.Font.createFont3D(b,c,e,e,this.jsvp.getApiPlatform(),a)},"~O,~N,~N,~N,~B");c(c$,"notifySubSpectrumChange",function(a,b){this.notifyListeners(new JSV.common.SubSpecChangeEvent(a,null==b?null:b.getTitleLabel()))},"~N,JSV.common.Spectrum");c(c$,"notifyPeakPickedListeners",function(a){null==a&&(a=new JSV.common.PeakPickEvent(this.jsvp,this.coordClicked,this.getSpectrum().getAssociatedPeakInfo(this.xPixelClicked, -this.coordClicked)));this.notifyListeners(a)},"JSV.common.PeakPickEvent");c(c$,"notifyListeners",function(a){for(var b=0;bc)return this.jsvp.showMessage("To enable "+ -a+" first select a spectrum by clicking on it.",""+a),null;var e=this.getSpectrum(),g=this.vwr.getDialog(a,e);null==b&&a===JSV.common.Annotation.AType.Measurements&&(b=new JSV.common.MeasurementData(JSV.common.Annotation.AType.Measurements,e));null!=b&&g.setData(b);this.addDialog(c,a,g);g.reEnable();return g},"JSV.common.Annotation.AType");c(c$,"printPdf",function(a,b){var c=!b.layout.equals("landscape");this.print(a,c?b.imageableHeight:b.imageableWidth,c?b.imageableWidth:b.imageableHeight,b.imageableX, -b.imageableY,b.paperHeight,b.paperWidth,c,0)},"J.api.GenericGraphics,JSV.common.PrintLayout");c(c$,"print",function(a,b,c,e,g,f,h,k,l){this.g2d=this.g2d0;if(0==l)return this.isPrinting=!0,l=!1,q(a,J.api.GenericGraphics)&&(this.g2d=a,a=this.gMain),this.printGraphPosition.equals("default")?k?(b=450,c=280):(b=280,c=450):this.printGraphPosition.equals("fit to page")?l=!0:k?(b=450,c=280,e=w(w(h-c)/2),g=w(w(f-b)/2)):(b=280,c=450,g=w(w(h-280)/2),e=w(w(f-450)/2)),this.g2d.translateScale(a,e,g,0.1),this.setTaintedAll(), -this.drawGraph(a,a,a,w(c),w(b),l),this.isPrinting=!1,0;this.isPrinting=!1;return 1},"~O,~N,~N,~N,~N,~N,~N,~B,~N");h(c$,"keyPressed",function(a,b){if(this.isPrinting)return!1;this.checkKeyControl(a,!0);switch(a){case 27:case 127:case 8:return this.escapeKeyPressed(27!=a),this.isIntegralDrag=!1,this.setTaintedAll(),this.repaint(),!0}var c=0,e=!1;if(0==b)switch(a){case 37:case 39:this.doMouseMoved(39==a?++this.mouseX:--this.mouseX,this.mouseY);this.repaint();e=!0;break;case 33:case 34:c=33==a?JSV.common.GraphSet.RT2: -1/JSV.common.GraphSet.RT2;e=!0;break;case 40:case 38:e=40==a?-1:1,null==this.getSpectrumAt(0).getSubSpectra()?this.notifySubSpectrumChange(e,null):(this.advanceSubSpectrum(e),this.setTaintedAll(),this.repaint()),e=!0}else if(this.checkMod(a,2))switch(a){case 40:case 38:case 45:case 61:c=61==a||38==a?JSV.common.GraphSet.RT2:1/JSV.common.GraphSet.RT2;e=!0;break;case 37:case 39:this.toPeak(39==a?1:-1),e=!0}0!=c&&(this.scaleYBy(c),this.setTaintedAll(),this.repaint());return e},"~N,~N");h(c$,"keyReleased", -function(a){this.isPrinting||this.checkKeyControl(a,!1)},"~N");h(c$,"keyTyped",function(a,b){if(this.isPrinting)return!1;switch(a){case "n":if(0!=b)break;this.normalizeIntegral();return!0;case 26:if(2!=b)break;this.previousView();this.setTaintedAll();this.repaint();return!0;case 25:if(2!=b)break;this.nextView();this.setTaintedAll();this.repaint();return!0}return!1},"~N,~N");h(c$,"mouseAction",function(a,b,c,e,g,f){if(!this.isPrinting)switch(a){case 4:if(!this.checkMod(f,16))break;this.doMousePressed(c, -e);break;case 5:this.doMouseReleased(c,e,this.checkMod(f,16));this.setTaintedAll();this.repaint();break;case 1:this.doMouseDragged(c,e);this.repaint();break;case 0:this.jsvp.getFocusNow(!1);if(0!=(f&28)){this.doMouseDragged(c,e);this.repaint();break}this.doMouseMoved(c,e);null!=this.coordStr&&this.repaint();break;case 2:if(this.checkMod(f,4)){this.jsvp.showMenu(c,e);break}this.ctrlPressed=!1;this.doMouseClicked(c,e,this.updateControlPressed(f))}},"~N,~N,~N,~N,~N,~N");c(c$,"checkMod",function(a,b){return(a& -b)==b},"~N,~N");c(c$,"checkKeyControl",function(a,b){switch(a){case 17:case 157:this.ctrlPressed=b;break;case 16:this.shiftPressed=b}},"~N,~B");c(c$,"updateControlPressed",function(a){return this.ctrlPressed=(new Boolean(this.ctrlPressed|(this.checkMod(a,2)||this.checkMod(a,20)))).valueOf()},"~N");h(c$,"mouseEnterExit",function(a,b,c,e){if(e)this.thisWidget=null,this.isIntegralDrag=!1,this.integralShiftMode=0;else try{this.jsvp.getFocusNow(!1)}catch(g){if(D(g,Exception))System.out.println("pd "+this+ -" cannot focus");else throw g;}},"~N,~N,~N,~B");c(c$,"setSolutionColor",function(a){var b=0<=a.indexOf("none"),c=0>a.indexOf("false");if(0>a.indexOf("all"))b=b?-1:this.vwr.getSolutionColor(c),this.getSpectrum().setFillColor(-1==b?null:this.vwr.parameters.getColor1(b));else{a=JSV.common.JSViewer.getInterface("JSV.common.Visible");for(var e=this.graphSets.size();0<=--e;)this.graphSets.get(e).setSolutionColor(a,b,c)}},"~S");c(c$,"setIRMode",function(a,b){for(var c=this.graphSets.size();0<=--c;)this.graphSets.get(c).setIRMode(a, -b)},"JSV.common.Spectrum.IRMode,~S");c(c$,"closeSpectrum",function(){this.vwr.close("views");this.vwr.close(this.getSourceID());this.vwr.execView("*",!0)});M(self.c$);c$=E(JSV.common.PanelData,"LinkMode",Enum);c$.getMode=c(c$,"getMode",function(a){if(a.equals("*"))return JSV.common.PanelData.LinkMode.ALL;for(var b,c=0,e=JSV.common.PanelData.LinkMode.values();ca.indexOf("*")){f=a.$plit(" ");a=new JU.SB;for(var h=0;h");0=c+1&&(c=w(Math.floor(b)));this.fileCount= +c;System.gc();JU.Logger.debugging&&JU.Logger.checkMemory();this.si.siSourceClosed(a)},"JSV.source.JDXSource");c(c$,"setFrameAndTreeNode",function(a){null==this.panelNodes||(0>a||a>=this.panelNodes.size())||this.setNode(this.panelNodes.get(a))},"~N");c(c$,"selectFrameNode",function(a){a=JSV.common.PanelNode.findNode(a,this.panelNodes);if(null==a)return null;this.spectraTree.setPath(this.spectraTree.newTreePath(a.treeNode.getPath()));this.setOverlayLegendVisibility(null,!1);return a},"JSV.api.JSVPanel"); +c(c$,"setSpectrum",function(a){if(0<=a.indexOf(".")){a=JSV.common.PanelNode.findNodeById(a,this.panelNodes);if(null==a)return!1;this.setNode(a)}else{a=JU.PT.parseInt(a);if(0>=a)return this.checkOverlay(),!1;this.setFrameAndTreeNode(a-1)}return!0},"~S");c(c$,"splitSpectra",function(){for(var a=this.currentSource,b=a.getSpectra(),c=Array(b.size()),f=null,g=0;ga.indexOf("false")),a="background-color:rgb("+a+")'>
    Predicted Solution Colour- RGB("+a+")

    ",JSV.common.JSViewer.isJS?this.dialogManager.showMessage(this,"
    ","Predicted Colour"))},"~S");c(c$,"getDialogPrint",function(a){if(!JSV.common.JSViewer.isJS)try{var b=this.getPlatformInterface("PrintDialog").set(this.offWindowFrame,this.lastPrintLayout,a).getPrintLayout();null!=b&&(this.lastPrintLayout=b);return b}catch(c){if(!D(c,Exception))throw c;}return new JSV.common.PrintLayout(this.pd())},"~B");c(c$,"setIRmode",function(a){this.irMode=a.equals("AtoT")?JSV.common.Spectrum.IRMode.TO_TRANS: +a.equals("TtoA")?JSV.common.Spectrum.IRMode.TO_ABS:JSV.common.Spectrum.IRMode.getMode(a)},"~S");c(c$,"getOptionFromDialog",function(a,b,c){return this.getDialogManager().getOptionFromDialog(null,a,this.selectedPanel,b,c)},"~A,~S,~S");c(c$,"print",function(a){return this.execWrite('PDF "'+a+'"')},"~S");c(c$,"execWrite",function(a){JSV.common.JSViewer.isJS&&null==a&&(a="PDF");a=JSV.common.JSViewer.getInterface("JSV.export.Exporter").write(this,null==a?null:JSV.common.ScriptToken.getTokens(a),!1);this.si.writeStatus(a); +return a},"~S");c(c$,"$export",function(a,b){null==a&&(a="XY");var c=this.pd(),f=c.getNumberOfSpectraInCurrentSet();if(-1>b||b>=f)return"Maximum spectrum index (0-based) is "+(f-1)+".";c=0>b?c.getSpectrum():c.getSpectrumAt(b);try{return JSV.common.JSViewer.getInterface("JSV.export.Exporter").exportTheSpectrum(this,JSV.common.ExportType.getType(a),null,c,0,c.getXYCoords().length-1,null,a.equalsIgnoreCase("PDF"))}catch(g){if(D(g,Exception))return JU.Logger.error(g.toString()),null;throw g;}},"~S,~N"); +h(c$,"postByteArray",function(a,b){return JSV.common.JSVFileManager.postByteArray(a,b)},"~S,~A");c(c$,"getOutputChannel",function(a,b){for(;a.startsWith("/");)a=a.substring(1);return(new JU.OC).setParams(this,a,!b,null)},"~S,~B");c$.getInterface=c(c$,"getInterface",function(a){try{var b=fa._4Name(a);return null==b?null:b.newInstance()}catch(c){if(D(c,Exception))return JU.Logger.error("Interface.java Error creating instance for "+a+": \n"+c),null;throw c;}},"~S");c(c$,"showMessage",function(a){null!= +this.selectedPanel&&null!=a&&this.selectedPanel.showMessage(a,null)},"~S");c(c$,"openFileFromDialog",function(a,b,c,f){var g=null;if(null!=c){g=this.fileHelper.getUrlFromDialog("Enter the name or identifier of a compound",this.recentSimulation);if(null==g)return;this.recentSimulation=g;g="$"+c+"/"+g}else if(b){g=this.fileHelper.getUrlFromDialog("Enter the URL of a JCAMP-DX File",null==this.recentURL?this.recentOpenURL:this.recentURL);if(null==g)return;this.recentOpenURL=g}else b=v(-1,[Boolean.$valueOf(a), +f]),b=this.fileHelper.showFileOpenDialog(this.mainPanel,b),null!=b&&(g=b.getFullPath());null!=g&&this.runScriptNow("load "+(a?"APPEND ":"")+'"'+g+'"'+(null==f?"":";"+f))},"~B,~B,~S,~S");c(c$,"openFile",function(a,b){if(b&&null!=this.panelNodes){var c=JSV.common.PanelNode.findSourceByNameOrId((new java.io.File(a)).getAbsolutePath(),this.panelNodes);null!=c&&this.closeSource(c)}this.si.siOpenDataOrFile(null,null,null,a,-1,-1,!0,this.defaultLoadScript,null)},"~S,~B");c(c$,"selectPanel",function(a,b){var c= +-1;if(null!=b){for(var f=b.size();0<=--f;){var g=b.get(f).jsvp;g===a?c=f:(g.setEnabled(!1),g.setFocusable(!1),g.getPanelData().closeAllDialogsExcept(JSV.common.Annotation.AType.NONE))}this.markSelectedPanels(b,c)}return c},"JSV.api.JSVPanel,JU.Lst");c(c$,"checkAutoIntegrate",function(){this.autoIntegrate&&this.pd().integrateAll(this.parameters)});c(c$,"parseInitScript",function(a){null==a&&(a="");a=new JSV.common.ScriptTokenizer(a,!0);for(JU.Logger.debugging&&JU.Logger.info("Running in DEBUG mode");a.hasMoreTokens();){var b= +a.nextToken(),c=new JSV.common.ScriptTokenizer(b,!1),f=c.nextToken();f.equalsIgnoreCase("SET")&&(f=c.nextToken());var f=f.toUpperCase(),g=JSV.common.ScriptToken.getScriptToken(f),b=JSV.common.ScriptToken.getValue(g,c,b);JU.Logger.info("KEY-> "+f+" VALUE-> "+b+" : "+g);try{switch(g){default:this.parameters.set(null,g,b);break;case JSV.common.ScriptToken.UNKNOWN:break;case JSV.common.ScriptToken.APPLETID:this.fullName=this.appletName+"__"+(this.appletName=b)+"__";f=null;self.Jmol&&(f=Jmol._applets[b]); +this.html5Applet=f;break;case JSV.common.ScriptToken.AUTOINTEGRATE:this.autoIntegrate=JSV.common.Parameters.isTrue(b);break;case JSV.common.ScriptToken.COMPOUNDMENUON:break;case JSV.common.ScriptToken.APPLETREADYCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.COORDCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.LOADFILECALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.PEAKCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.SYNCCALLBACKFUNCTIONNAME:this.si.siExecSetCallback(g,b);break;case JSV.common.ScriptToken.ENDINDEX:this.initialEndIndex= +Integer.parseInt(b);break;case JSV.common.ScriptToken.INTERFACE:this.checkOvelayInterface(b);break;case JSV.common.ScriptToken.IRMODE:this.setIRmode(b);break;case JSV.common.ScriptToken.MENUON:this.allowMenu=Boolean.parseBoolean(b);break;case JSV.common.ScriptToken.OBSCURE:null==this.obscureTitleFromUser&&(this.obscureTitleFromUser=Boolean.$valueOf(b));break;case JSV.common.ScriptToken.STARTINDEX:this.initialStartIndex=Integer.parseInt(b);break;case JSV.common.ScriptToken.SYNCID:this.fullName=this.appletName+ +"__"+(this.syncID=b)+"__"}}catch(e){if(!D(e,Exception))throw e;}}},"~S");c(c$,"getSolutionColorStr",function(a){a=JU.CU.colorPtFromInt(this.getSolutionColor(a),null);return C(a.x)+","+C(a.y)+","+C(a.z)},"~B");c(c$,"checkCommandLineForTip",function(a,b,c){var f="\u0001"==a;if(!f&&"\x00"!=a){if("\t"!=a&&("\n"==a||32>a.charCodeAt(0)||126b.indexOf(" ")&&0 src="JPECVIEW" file="http://SIMULATION/$caffeine"', +"NLEVEL_MAX",100,"isJS",!1,"isSwingJS",!1,"jmolObject",null)});m("JSV.common");x(["JSV.common.Annotation","$.Coordinate"],"JSV.common.Measurement",null,function(){c$=u(function(){this.pt2=null;this.value=0;t(this,arguments)},JSV.common,"Measurement",JSV.common.Annotation);O(c$,function(){this.pt2=new JSV.common.Coordinate});c(c$,"setM1",function(a,b,c){this.setA(a,b,c,"",!1,!1,0,6);this.setPt2(this.getXVal(),this.getYVal());return this},"~N,~N,JSV.common.Spectrum");c(c$,"copyM",function(){var a=new JSV.common.Measurement; +a.setA(this.getXVal(),this.getYVal(),this.spec,this.text,!1,!1,this.offsetX,this.offsetY);a.setPt2(this.pt2.getXVal(),this.pt2.getYVal());return a});c(c$,"setPt2",function(a,b){this.spec=a;b&&this.setPt2(this.getXVal(),this.getYVal());return this},"JSV.common.Spectrum,~B");c(c$,"setPt2",function(a,b){this.pt2.setXVal(a);this.pt2.setYVal(b);this.value=Math.abs(a-this.getXVal());this.text=this.spec.setMeasurementText(this)},"~N,~N");c(c$,"getSpectrum",function(){return this.spec});c(c$,"setValue",function(a){this.value= +a;this.text=this.spec.setMeasurementText(this)},"~N");c(c$,"getValue",function(){return this.value});c(c$,"getXVal2",function(){return this.pt2.getXVal()});c(c$,"getYVal2",function(){return this.pt2.getYVal()});h(c$,"addSpecShift",function(a){this.setXVal(this.getXVal()+a);this.pt2.setXVal(this.pt2.getXVal()+a)},"~N");c(c$,"setYVal2",function(a){this.pt2.setYVal(a)},"~N");c(c$,"overlaps",function(a,b){return Math.min(this.getXVal(),this.getXVal2()) +Math.min(a,b)},"~N,~N");h(c$,"toString",function(){return"["+this.getXVal()+","+this.pt2.getXVal()+"]"});G(c$,"PT_XY1",1,"PT_XY2",2,"PT_INT_LABEL",-5,"PT_ON_LINE1",-1,"PT_ON_LINE2",-2,"PT_ON_LINE",0)});m("JSV.common");x(["JU.Lst","JSV.api.AnnotationData"],"JSV.common.MeasurementData",["JU.AU","$.DF","JSV.common.Annotation","$.Parameters"],function(){c$=u(function(){this.units=this.spec=this.type=null;this.precision=0;this.myParams=null;this.isON=!0;this.key=null;t(this,arguments)},JSV.common,"MeasurementData", +JU.Lst,JSV.api.AnnotationData);p(c$,function(a,b){H(this,JSV.common.MeasurementData,[]);this.type=a;this.spec=b;this.myParams=(new JSV.common.Parameters).setName("MeasurementData")},"JSV.common.Annotation.AType,JSV.common.Spectrum");c(c$,"getMeasurements",function(){return this});h(c$,"getAType",function(){return this.type});h(c$,"getState",function(){return this.isON});h(c$,"setState",function(a){this.isON=a},"~B");c(c$,"setMeasurements",function(){},"JU.Lst");h(c$,"getParameters",function(){return this.myParams}); +c(c$,"getDataHeader",function(){return JSV.common.MeasurementData.HEADER});c(c$,"getMeasurementListArray",function(a){this.units=a;var b=this.getMeasurementListArrayReal(a),c=this.spec.isNMR()?4:2;a=this.spec.isHNMR()&&a.equals("ppm")?4:2;for(var f=Array(this.size()),g=this.size();0<=--g;)f[g]=v(-1,[""+(g+1),JU.DF.formatDecimalDbl(b[g][0],c),JU.DF.formatDecimalDbl(b[g][1],c),JU.DF.formatDecimalDbl(b[g][2],a)]);return f},"~S");c(c$,"getMeasurementListArrayReal",function(a){a=this.spec.isNMR()&&a.equalsIgnoreCase("HZ"); +for(var b=JU.AU.newDouble2(this.size()),c=0,f=this.size();0<=--f;){var g=this.get(f).getValue();a&&(g*=this.spec.getObservedFreq());b[c++]=Q(-1,[this.get(f).getXVal(),this.get(f).getXVal2(),g])}return b},"~S");c$.checkParameters=c(c$,"checkParameters",function(a,b){if(0==a.size())return!1;var c=a.getParameters();switch(a.getAType()){case JSV.common.Annotation.AType.PeakList:return b.peakListInterpolation.equals(c.peakListInterpolation)&&b.peakListThreshold==c.peakListThreshold}return!1},"JSV.common.MeasurementData,JSV.common.ColorParameters"); +h(c$,"getSpectrum",function(){return this.spec});h(c$,"getData",function(){return this});c(c$,"clear",function(a,b){for(var c=this.size();0<=--c;){var f=this.get(c);(0==f.text.length||f.overlaps(a,b))&&this.removeItemAt(c)}},"~N,~N");c(c$,"find",function(a){for(var b=this.size();0<=--b;)if(this.get(b).overlaps(a,a))return b;return-1},"~N");h(c$,"setSpecShift",function(a){for(var b=this.size();0<=--b;){var c=this.get(b),f=c.getXVal()+a;c.setXVal(f);c.setValue(f);c.text=JU.DF.formatDecimalDbl(f,this.precision)}}, +"~N");h(c$,"getGraphSetKey",function(){return this.key});h(c$,"setGraphSetKey",function(a){this.key=a},"~S");h(c$,"isVisible",function(){return!0});c(c$,"getInfo",function(a){a.put("header",this.getDataHeader());a.put("table",this.getMeasurementListArrayReal("ppm"));null!=this.units&&a.put("units",this.units)},"java.util.Map");h(c$,"isDialog",function(){return!1});c$.HEADER=c$.prototype.HEADER=v(-1,["","start","end","value"])});m("JSV.common");x(["java.lang.Enum","J.api.EventManager","java.util.Hashtable", +"JU.Lst"],"JSV.common.PanelData","java.lang.Boolean $.Double JU.CU JSV.common.Annotation $.Coordinate $.GraphSet $.JSVFileManager $.JSVersion $.JSViewer $.MeasurementData $.Parameters $.PeakPickEvent $.ScriptToken $.Spectrum $.SubSpecChangeEvent $.ZoomEvent JSV.dialog.JSVDialog J.api.GenericGraphics JU.Font $.Logger".split(" "),function(){c$=u(function(){this.graphSets=this.jsvp=this.options=this.currentGraphSet=this.listeners=this.vwr=this.g2d0=this.g2d=null;this.currentSplitPoint=0;this.coordsClicked= +this.coordClicked=this.thisWidget=null;this.isIntegralDrag=this.drawXAxisLeftToRight=this.shiftPressed=this.ctrlPressed=!1;this.xAxisLeftToRight=!0;this.scalingFactor=1;this.integralShiftMode=0;this.left=60;this.right=50;this.coordStr="";this.startupPinTip="Click to set.";this.title=null;this.endIndex=this.startIndex=this.thisHeight=this.thisWidth=this.nSpectra=this.clickCount=0;this.titleFontName=this.displayFontName=this.viewTitle=this.commonFilePath=null;this.isPrinting=!1;this.doReset=!0;this.printingFontName= +null;this.printGraphPosition="default";this.isLinked=this.display1D=this.titleDrawn=!1;this.spectra=this.printJobTitle=null;this.taintedAll=!0;this.testingJavaScript=!1;this.mouseState=this.currentFont=null;this.peakTabsOn=this.titleOn=this.gridOn=!1;this.mouseY=this.mouseX=0;this.linking=!1;this.xPixelClicked=0;this.gMain=this.optionsSaved=this.bgcolor=this.BLACK=this.zoomBoxColor2=this.zoomBoxColor=this.highlightColor=this.unitsColor=this.titleColor=this.scaleColor=this.plotAreaColor=this.peakTabColor= +this.integralPlotColor=this.gridColor=this.coordinatesColor=null;t(this,arguments)},JSV.common,"PanelData",null,J.api.EventManager);O(c$,function(){this.listeners=new JU.Lst;this.options=new java.util.Hashtable});p(c$,function(a,b){this.vwr=b;this.jsvp=a;this.g2d=this.g2d0=b.g2d;this.BLACK=this.g2d.getColor1(0);this.highlightColor=this.g2d.getColor4(255,0,0,200);this.zoomBoxColor=this.g2d.getColor4(150,150,100,130);this.zoomBoxColor2=this.g2d.getColor4(150,100,100,130)},"JSV.api.JSVPanel,JSV.common.JSViewer"); +c(c$,"addListener",function(a){this.listeners.contains(a)||this.listeners.addLast(a)},"JSV.api.PanelListener");c(c$,"getCurrentGraphSet",function(){return this.currentGraphSet});c(c$,"dispose",function(){this.jsvp=null;for(var a=0;ac&&(g=w(14*c/e),10>g&&(g=10),g=this.getFont(a,c,this.isPrinting||this.getBoolean(JSV.common.ScriptToken.TITLEBOLDON)?1:0,g,!0));this.g2d.setGraphicsColor(a,this.titleColor);this.setCurrentFont(this.g2d.setFont(a,g));this.g2d.drawString(a,f,this.isPrinting?this.left*this.scalingFactor:5,b-w(g.getHeight()*(this.isPrinting?2:0.5)))},"~O,~N,~N,~S");c(c$,"setCurrentFont",function(a){this.currentFont= +a},"JU.Font");c(c$,"getFontHeight",function(){return this.currentFont.getAscent()});c(c$,"getStringWidth",function(a){return this.currentFont.stringWidth(a)},"~S");c(c$,"selectFromEntireSet",function(a){for(var b=0,c=0;ba||a==c)&&this.graphSets.get(b).setSelected(g)},"~N");c(c$,"addToList",function(a,b){for(var c=0;ca|| +c==a)&&b.addLast(this.spectra.get(c))},"~N,JU.Lst");c(c$,"scaleSelectedBy",function(a){for(var b=this.graphSets.size();0<=--b;)this.graphSets.get(b).scaleSelectedBy(a)},"~N");c(c$,"setCurrentGraphSet",function(a,b){var c=1a||a>=this.currentGraphSet.nSpectra)){this.currentSplitPoint=a;b&&this.setSpectrum(this.currentSplitPoint,1b&&(f=b*f/400):250>b&&(f=b*f/250);b=this.jsvp.getFontFaceID(this.isPrinting?this.printingFontName:this.displayFontName);return this.currentFont=JU.Font.createFont3D(b,c,f,f,this.jsvp.getApiPlatform(),a)},"~O,~N,~N,~N,~B");c(c$,"notifySubSpectrumChange", +function(a,b){this.notifyListeners(new JSV.common.SubSpecChangeEvent(a,null==b?null:b.getTitleLabel()))},"~N,JSV.common.Spectrum");c(c$,"notifyPeakPickedListeners",function(a){null==a&&(a=new JSV.common.PeakPickEvent(this.jsvp,this.coordClicked,this.getSpectrum().getAssociatedPeakInfo(this.xPixelClicked,this.coordClicked)));this.notifyListeners(a)},"JSV.common.PeakPickEvent");c(c$,"notifyListeners",function(a){for(var b=0;bc)return this.jsvp.showMessage("To enable "+a+" first select a spectrum by clicking on it.",""+a),null;var f=this.getSpectrum(),g=this.vwr.getDialog(a,f);null==b&&a===JSV.common.Annotation.AType.Measurements&&(b=new JSV.common.MeasurementData(JSV.common.Annotation.AType.Measurements,f));null!= +b&&g.setData(b);this.addDialog(c,a,g);g.reEnable();return g},"JSV.common.Annotation.AType");c(c$,"printPdf",function(a,b){var c=!b.layout.equals("landscape");this.print(a,c?b.imageableHeight:b.imageableWidth,c?b.imageableWidth:b.imageableHeight,b.imageableX,b.imageableY,b.paperHeight,b.paperWidth,c,0)},"J.api.GenericGraphics,JSV.common.PrintLayout");c(c$,"print",function(a,b,c,f,g,e,h,k,l){this.g2d=this.g2d0;if(0==l)return this.isPrinting=!0,l=!1,s(a,J.api.GenericGraphics)&&(this.g2d=a,a=this.gMain), +this.printGraphPosition.equals("default")?k?(b=450,c=280):(b=280,c=450):this.printGraphPosition.equals("fit to page")?l=!0:k?(b=450,c=280,f=w(w(h-c)/2),g=w(w(e-b)/2)):(b=280,c=450,g=w(w(h-280)/2),f=w(w(e-450)/2)),this.g2d.translateScale(a,f,g,0.1),this.setTaintedAll(),this.drawGraph(a,a,a,w(c),w(b),l),this.isPrinting=!1,0;this.isPrinting=!1;return 1},"~O,~N,~N,~N,~N,~N,~N,~B,~N");h(c$,"keyPressed",function(a,b){if(this.isPrinting)return!1;this.checkKeyControl(a,!0);switch(a){case 27:case 127:case 8:return this.escapeKeyPressed(27!= +a),this.isIntegralDrag=!1,this.setTaintedAll(),this.repaint(),!0}var c=0,f=!1;if(0==b)switch(a){case 37:case 39:this.doMouseMoved(39==a?++this.mouseX:--this.mouseX,this.mouseY);this.repaint();f=!0;break;case 33:case 34:c=33==a?JSV.common.GraphSet.RT2:1/JSV.common.GraphSet.RT2;f=!0;break;case 40:case 38:f=40==a?-1:1,null==this.getSpectrumAt(0).getSubSpectra()?this.notifySubSpectrumChange(f,null):(this.advanceSubSpectrum(f),this.setTaintedAll(),this.repaint()),f=!0}else if(this.checkMod(a,2))switch(a){case 40:case 38:case 45:case 61:c= +61==a||38==a?JSV.common.GraphSet.RT2:1/JSV.common.GraphSet.RT2;f=!0;break;case 37:case 39:this.toPeak(39==a?1:-1),f=!0}0!=c&&(this.scaleYBy(c),this.setTaintedAll(),this.repaint());return f},"~N,~N");h(c$,"keyReleased",function(a){this.isPrinting||this.checkKeyControl(a,!1)},"~N");h(c$,"keyTyped",function(a,b){if(this.isPrinting)return!1;switch(a){case "n":if(0!=b)break;this.normalizeIntegral();return!0;case 26:if(2!=b)break;this.previousView();this.setTaintedAll();this.repaint();return!0;case 25:if(2!= +b)break;this.nextView();this.setTaintedAll();this.repaint();return!0}return!1},"~N,~N");h(c$,"mouseAction",function(a,b,c,f,g,e){if(!this.isPrinting)switch(a){case 4:if(!this.checkMod(e,16))break;this.doMousePressed(c,f);break;case 5:this.doMouseReleased(c,f,this.checkMod(e,16));this.setTaintedAll();this.repaint();break;case 1:this.doMouseDragged(c,f);this.repaint();break;case 0:this.jsvp.getFocusNow(!1);if(0!=(e&28)){this.doMouseDragged(c,f);this.repaint();break}this.doMouseMoved(c,f);null!=this.coordStr&& +this.repaint();break;case 2:if(this.checkMod(e,4)){this.jsvp.showMenu(c,f);break}this.ctrlPressed=!1;this.doMouseClicked(c,f,this.updateControlPressed(e))}},"~N,~N,~N,~N,~N,~N");c(c$,"checkMod",function(a,b){return(a&b)==b},"~N,~N");c(c$,"checkKeyControl",function(a,b){switch(a){case 17:case 157:this.ctrlPressed=b;break;case 16:this.shiftPressed=b}},"~N,~B");c(c$,"updateControlPressed",function(a){return this.ctrlPressed=(new Boolean(this.ctrlPressed|(this.checkMod(a,2)||this.checkMod(a,20)))).valueOf()}, +"~N");h(c$,"mouseEnterExit",function(a,b,c,f){if(f)this.thisWidget=null,this.isIntegralDrag=!1,this.integralShiftMode=0;else try{this.jsvp.getFocusNow(!1)}catch(g){if(D(g,Exception))System.out.println("pd "+this+" cannot focus");else throw g;}},"~N,~N,~N,~B");c(c$,"setSolutionColor",function(a){var b=0<=a.indexOf("none"),c=0>a.indexOf("false");if(0>a.indexOf("all"))b=b?-1:this.vwr.getSolutionColor(c),this.getSpectrum().setFillColor(-1==b?null:this.vwr.parameters.getColor1(b));else{a=JSV.common.JSViewer.getInterface("JSV.common.Visible"); +for(var f=this.graphSets.size();0<=--f;)this.graphSets.get(f).setSolutionColor(a,b,c)}},"~S");c(c$,"setIRMode",function(a,b){for(var c=this.graphSets.size();0<=--c;)this.graphSets.get(c).setIRMode(a,b)},"JSV.common.Spectrum.IRMode,~S");c(c$,"closeSpectrum",function(){this.vwr.close("views");this.vwr.close(this.getSourceID());this.vwr.execView("*",!0)});N(self.c$);c$=E(JSV.common.PanelData,"LinkMode",Enum);c$.getMode=c(c$,"getMode",function(a){if(a.equals("*"))return JSV.common.PanelData.LinkMode.ALL; +for(var b,c=0,f=JSV.common.PanelData.LinkMode.values();ce.length)){this.clear();null!=a&&(this.myParams.peakListInterpolation=a.peakListInterpolation,this.myParams.peakListThreshold=a.peakListThreshold);a=this.myParams.peakListInterpolation.equals("parabolic");var g=this.spec.isInverted();this.minY=c.minYOnScale; -this.maxY=c.maxYOnScale;var f=c.minXOnScale;c=c.maxXOnScale;this.thresh=this.myParams.peakListThreshold;Double.isNaN(this.thresh)&&(this.thresh=this.myParams.peakListThreshold=(this.minY+this.maxY)/2);var h=0,k=T(-1,[e[0].getYVal(),h=e[1].getYVal(),0]),l=0;if(g)for(g=2;gh&&h=f||h<=c))if(h=(new JSV.common.PeakPick).setValue(h,n,this.spec,null,0), -this.addLast(h),100==++l)break;h=n}else for(g=2;gthis.thresh&&(k[(g-2)%3]n)&&(h=a?JSV.common.Coordinate.parabolicInterpolation(e,g-1):e[g-1].getXVal(),h>=f&&h<=c&&(h=(new JSV.common.PeakPick).setValue(h,n,this.spec,JU.DF.formatDecimalDbl(h,b),h),this.addLast(h),100==++l)))break;h=n}}},"JSV.common.Parameters,~N,JSV.common.ScaleData");c$.HNMR_HEADER=c$.prototype.HNMR_HEADER=A(-1,"peak shift/ppm intens shift/hz diff/hz 2-diff 3-diff".split(" "))});r("JSV.common"); -x(null,"JSV.common.PeakInfo",["JU.PT"],function(){c$=v(function(){this.px1=this.px0=this.yMax=this.yMin=this.xMax=this.xMin=0;this.atomKey=this._match=this.spectrum=this.id=this.atoms=this.model=this.title=this.filePathForwardSlash=this.file=this.index=this.type2=this.type=this.stringInfo=null;s(this,arguments)},JSV.common,"PeakInfo");t(c$,function(){});t(c$,function(a){this.stringInfo=a;this.type=JU.PT.getQuotedAttribute(a,"type");null==this.type&&(this.type="");this.type=this.type.toUpperCase(); +c$.isMatch=c(c$,"isMatch",function(a,b){return null==a||b.equalsIgnoreCase(a)},"~S,~S");c$.putInfo=c(c$,"putInfo",function(a,b,c,f){null!=f&&JSV.common.Parameters.isMatch(a,c)&&b.put(null==a?c:a,f)},"~S,java.util.Map,~S,~O")});m("JSV.common");x(["JSV.common.MeasurementData"],"JSV.common.PeakData",["java.lang.Double","JU.DF","JSV.common.Coordinate","$.PeakPick"],function(){c$=u(function(){this.maxY=this.minY=this.thresh=0;t(this,arguments)},JSV.common,"PeakData",JSV.common.MeasurementData);c(c$,"getThresh", +function(){return this.thresh});h(c$,"getDataHeader",function(){return this.spec.isHNMR()?JSV.common.PeakData.HNMR_HEADER:v(-1,["peak",this.spec.getXUnits(),this.spec.getYUnits()])});h(c$,"getMeasurementListArray",function(){for(var a=Array(this.size()),b=Q(-1,[-1E100,1E100,1E100]),c,f=0,g=this.size();0<=--g;f++)c=this.spec.getPeakListArray(this.get(g),b,this.maxY),a[f]=2==c.length?v(-1,[""+(f+1),JU.DF.formatDecimalDbl(c[0],2),JU.DF.formatDecimalDbl(c[1],4)]):v(-1,[""+(f+1),JU.DF.formatDecimalDbl(c[0], +4),JU.DF.formatDecimalDbl(c[1],4),JU.DF.formatDecimalDbl(c[2],2),0==c[3]?"":JU.DF.formatDecimalDbl(c[3],2),0==c[4]?"":JU.DF.formatDecimalDbl(c[4],2),0==c[5]?"":JU.DF.formatDecimalDbl(c[5],2)]);return a},"~S");h(c$,"getMeasurementListArrayReal",function(){for(var a=Q(this.size(),0),b=Q(-1,[-1E100,1E100,1E100]),c=0,f=this.size();0<=--f;c++)a[c]=this.spec.getPeakListArray(this.get(f),b,this.maxY);return a},"~S");c(c$,"getInfo",function(a){a.put("interpolation",this.myParams.peakListInterpolation);a.put("threshold", +Double.$valueOf(this.myParams.peakListThreshold));T(this,JSV.common.PeakData,"getInfo",[a])},"java.util.Map");c(c$,"setPeakList",function(a,b,c){this.precision=-2147483648==b?this.spec.getDefaultUnitPrecision():b;var f=this.spec.getXYCoords();if(!(3>f.length)){this.clear();null!=a&&(this.myParams.peakListInterpolation=a.peakListInterpolation,this.myParams.peakListThreshold=a.peakListThreshold);a=this.myParams.peakListInterpolation.equals("parabolic");var g=this.spec.isInverted();this.minY=c.minYOnScale; +this.maxY=c.maxYOnScale;var e=c.minXOnScale;c=c.maxXOnScale;this.thresh=this.myParams.peakListThreshold;Double.isNaN(this.thresh)&&(this.thresh=this.myParams.peakListThreshold=(this.minY+this.maxY)/2);var h=0,k=Q(-1,[f[0].getYVal(),h=f[1].getYVal(),0]),l=0;if(g)for(g=2;gh&&h=e||h<=c))if(h=(new JSV.common.PeakPick).setValue(h,m,this.spec,null,0), +this.addLast(h),100==++l)break;h=m}else for(g=2;gthis.thresh&&(k[(g-2)%3]m)&&(h=a?JSV.common.Coordinate.parabolicInterpolation(f,g-1):f[g-1].getXVal(),h>=e&&h<=c&&(h=(new JSV.common.PeakPick).setValue(h,m,this.spec,JU.DF.formatDecimalDbl(h,b),h),this.addLast(h),100==++l)))break;h=m}}},"JSV.common.Parameters,~N,JSV.common.ScaleData");c$.HNMR_HEADER=c$.prototype.HNMR_HEADER=v(-1,"peak shift/ppm intens shift/hz diff/hz 2-diff 3-diff".split(" "))});m("JSV.common"); +x(null,"JSV.common.PeakInfo",["JU.PT"],function(){c$=u(function(){this.px1=this.px0=this.yMax=this.yMin=this.xMax=this.xMin=0;this.atomKey=this._match=this.spectrum=this.id=this.atoms=this.model=this.title=this.filePathForwardSlash=this.file=this.index=this.type2=this.type=this.stringInfo=null;t(this,arguments)},JSV.common,"PeakInfo");p(c$,function(){});p(c$,function(a){this.stringInfo=a;this.type=JU.PT.getQuotedAttribute(a,"type");null==this.type&&(this.type="");this.type=this.type.toUpperCase(); var b=this.type.indexOf("/");this.type2=0>b?"":JSV.common.PeakInfo.fixType(this.type.substring(this.type.indexOf("/")+1));this.type=0<=b?JSV.common.PeakInfo.fixType(this.type.substring(0,b))+"/"+this.type2:JSV.common.PeakInfo.fixType(this.type);this.id=JU.PT.getQuotedAttribute(a,"id");this.index=JU.PT.getQuotedAttribute(a,"index");this.file=JU.PT.getQuotedAttribute(a,"file");System.out.println("pi file="+this.file);this.filePathForwardSlash=null==this.file?null:this.file.$replace("\\","/");this.model= JU.PT.getQuotedAttribute(a,"model");a.contains('baseModel=""')||(this.atoms=JU.PT.getQuotedAttribute(a,"atoms"));this.atomKey=","+this.atoms+",";this.title=JU.PT.getQuotedAttribute(a,"title");this._match=JU.PT.getQuotedAttribute(a,"_match");this.xMax=JU.PT.parseFloat(JU.PT.getQuotedAttribute(a,"xMax"));this.xMin=JU.PT.parseFloat(JU.PT.getQuotedAttribute(a,"xMin"));this.yMax=JU.PT.parseFloat(JU.PT.getQuotedAttribute(a,"yMax"));this.yMin=JU.PT.parseFloat(JU.PT.getQuotedAttribute(a,"yMin"))},"~S");c(c$, "isClearAll",function(){return null==this.spectrum});c(c$,"getType",function(){return this.type});c(c$,"getAtoms",function(){return this.atoms});c(c$,"getXMax",function(){return this.xMax});c(c$,"getXMin",function(){return this.xMin});c(c$,"getYMin",function(){return this.yMin});c(c$,"getYMax",function(){return this.yMax});c(c$,"getX",function(){return(this.xMax+this.xMin)/2});c(c$,"getMatch",function(){return this._match});c$.fixType=c(c$,"fixType",function(a){return a.equals("HNMR")?"1HNMR":a.equals("CNMR")? 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this.isContinuous()&&this.canConvertTransAbs()&&(this.xUnits.toLowerCase().contains("nanometer")||this.xUnits.equalsIgnoreCase("nm"))&&401>this.getFirstX()&&699b?"":JU.DF.formatDecimalDbl(b,c)+e},"JSV.common.Measurement");c(c$,"isNMR",function(){return 0<=this.dataType.toUpperCase().indexOf("NMR")});c(c$,"isHNMR",function(){return this.isNMR()&&0<=this.observedNucl.toUpperCase().indexOf("H")}); +c(c$,"setXYCoords",function(a){this.xyCoords=a},"~A");c(c$,"invertYAxis",function(){for(var a=this.xyCoords.length;0<=--a;)this.xyCoords[a].setYVal(-this.xyCoords[a].getYVal());a=this.minY;this.minY=-this.maxY;this.maxY=-a;return this});c(c$,"getFirstX",function(){return this.xyCoords[0].getXVal()});c(c$,"getFirstY",function(){return this.xyCoords[0].getYVal()});c(c$,"getLastX",function(){return this.xyCoords[this.xyCoords.length-1].getXVal()});c(c$,"getLastY",function(){return this.xyCoords[this.xyCoords.length- +1].getYVal()});c(c$,"getMinX",function(){return Double.isNaN(this.minX)?this.minX=JSV.common.Coordinate.getMinX(this.xyCoords,0,this.xyCoords.length-1):this.minX});c(c$,"getMinY",function(){return Double.isNaN(this.minY)?this.minY=JSV.common.Coordinate.getMinY(this.xyCoords,0,this.xyCoords.length-1):this.minY});c(c$,"getMaxX",function(){return Double.isNaN(this.maxX)?this.maxX=JSV.common.Coordinate.getMaxX(this.xyCoords,0,this.xyCoords.length-1):this.maxX});c(c$,"getMaxY",function(){return Double.isNaN(this.maxY)? +this.maxY=JSV.common.Coordinate.getMaxY(this.xyCoords,0,this.xyCoords.length-1):this.maxY});c(c$,"normalizeSimulation",function(a){this.isNMR()&&this.is1D()&&(a/=this.getMaxY(),this.maxY=NaN,JSV.common.Coordinate.applyScale(this.xyCoords,1,a),JU.Logger.info("Y values have been scaled by a factor of "+a))},"~N");c(c$,"getDeltaX",function(){return Double.isNaN(this.deltaX)?this.deltaX=JSV.common.Coordinate.deltaX(this.getLastX(),this.getFirstX(),this.xyCoords.length):this.deltaX});c(c$,"copyTo",function(a){a.setTitle(this.title); +a.setJcampdx(this.jcampdx);a.setOrigin(this.origin);a.setOwner(this.owner);a.setDataClass(this.dataClass);a.setDataType(this.dataType);a.setHeaderTable(this.headerTable);a.setXFactor(this.xFactor);a.setYFactor(this.yFactor);a.setXUnits(this.xUnits);a.setYUnits(this.yUnits);a.setXLabel(this.xLabel);a.setYLabel(this.yLabel);a.setXYCoords(this.xyCoords);a.setContinuous(this.continuous);a.setIncreasing(this.xIncreases);a.observedFreq=this.observedFreq;a.observedNucl=this.observedNucl;a.fileShiftRef=this.fileShiftRef; +a.fileShiftRefDataPt=this.fileShiftRefDataPt;a.fileShiftRefType=this.fileShiftRefType;a.$isHZtoPPM=this.$isHZtoPPM;a.numDim=this.numDim;a.nucleusX=this.nucleusX;a.nucleusY=this.nucleusY;a.freq2dX=this.freq2dX;a.freq2dY=this.freq2dY;a.setFilePath(this.filePath);a.nH=this.nH},"JSV.source.JDXDataObject");c(c$,"getTypeLabel",function(){return this.isNMR()?this.nucleusX+"NMR":this.dataType});c(c$,"getDefaultAnnotationInfo",function(a){var b,c=this.isNMR();switch(a){case JSV.common.Annotation.AType.Integration:return v(-1, +[null,A(-1,[1]),null]);case JSV.common.Annotation.AType.Measurements:return a=c?v(-1,["Hz","ppm"]):v(-1,[""]),b=this.isHNMR()?A(-1,[1,4]):A(-1,[1,3]),v(-1,[a,b,Integer.$valueOf(0)]);case JSV.common.Annotation.AType.PeakList:return a=c?v(-1,["Hz","ppm"]):v(-1,[""]),b=this.isHNMR()?A(-1,[1,2]):A(-1,[1,1]),v(-1,[a,b,Integer.$valueOf(c?1:0)])}return null},"JSV.common.Annotation.AType");c(c$,"getPeakListArray",function(a,b,c){var e=a.getXVal();a=a.getYVal();this.isNMR()&&(a/=c);c=Math.abs(e-b[0]);b[0]= +e;var h=c+b[1];b[1]=c;var k=h+b[2];b[2]=h;return this.isNMR()?Q(-1,[e,a,e*this.observedFreq,20this.jcampdx.indexOf("JEOL"))&&this.applyShiftReference(b?a:1,this.fileShiftRef);this.fileFirstX>this.fileLastX&&JSV.common.Coordinate.reverse(this.xyCoords);b&&(JSV.common.Coordinate.applyScale(this.xyCoords,1/a,1),this.setXUnits("PPM"),this.setHZtoPPM(!0))});c(c$,"setShiftReference",function(a,b,c){this.fileShiftRef=a;this.fileShiftRefDataPt=0this.xyCoords.length||0>this.fileShiftRefDataPt)){var c;switch(this.fileShiftRefType){case 0:b=this.xyCoords[this.fileShiftRefDataPt-1].getXVal()-b*a;break;case 1:b=this.fileFirstX-b*a;break;case 2:b=this.fileLastX+b}for(var e=0;e>"+this.line+"<<\n x, xcheck "+e+" "+e/this.xFactor+" "+p/this.xFactor+" "+a/this.xFactor);var s=l*this.yFactor,t=(new JSV.common.Coordinate).set(e,s);if(0== +k||!q)this.addPoint(t,k++);else if(k>>>"+this.line.substring(this.ich));Double.isNaN(l=this.nextValue(l))?this.logError("There was an error reading line "+n+" char "+A+":"+this.line.substring(0,A)+">>>>"+this.line.substring(A)):(e+=a,1.7976931348623157E308== +l&&(l=0,this.logError("Point marked invalid '?' for line "+n+" char "+A+":"+this.line.substring(0,A)+">>>>"+this.line.substring(A))),this.addPoint((new JSV.common.Coordinate).set(e,l*this.yFactor),k++),this.debugging&&this.logError("nx="+ ++z+" "+e+" "+e/this.xFactor+" yval="+l))}this.lastX=e;!m&&k>this.nPoints&&(this.logError("! points overflow nPoints!"),m=!0);h=this.line}}catch(C){if(D(C,java.io.IOException))C.printStackTrace();else throw C;}this.checkZeroFill(k,g);return this.xyCoords},"JU.SB"); +c(c$,"checkZeroFill",function(a,c){this.nptsFound=a;if(this.nPoints==this.nptsFound)1E-5=this.nPoints)){this.xyCoords[c]= +a;var f=a.getYVal();f>this.maxY?this.maxY=f:f=c?c.charCodeAt(0)-73:105-c.charCodeAt(0)));case 2:return this.dupCount=this.readNextInteger("s"==c?9:c.charCodeAt(0)-82)-1,this.getDuplicate(a);case 3:a=this.readNextSqueezedNumber(c);break;case 4:this.ich--;a=this.readSignedFloat();break;case -1:a=1.7976931348623157E308;break;default:a=NaN}this.isDIF=!1;return a},"~N");c(c$,"skipUnknown",function(){for(var a="\x00";this.ich=c)&&this.ich++}return f*Double.parseDouble(this.line.substring(a,this.ich))});c(c$,"getDuplicate",function(a){this.dupCount--; +return this.isDIF?a+this.lastDif:a},"~N");c(c$,"readNextInteger",function(a){for(var c=String.fromCharCode(0);this.ich=c;)a=10*a+(0>a?48-c.charCodeAt(0):c.charCodeAt(0)-48),this.ich++;return a},"~N");c(c$,"readNextSqueezedNumber",function(a){var c=this.ich;this.scanToNonnumeric();return Double.parseDouble((96=a);)this.ich++;return this.ich=a;a++)switch(String.fromCharCode(a)){case "%":case "J":case "K":case "L":case "M":case "N":case "O":case "P":case "Q":case "R":case "j":case "k":case "l":case "m":case "n":case "o":case "p":case "q":case "r":JSV.source.JDXDecompressor.actions[a]=1;break;case "+":case "-":case ".":case "0":case "1":case "2":case "3":case "4":case "5":case "6":case "7":case "8":case "9":JSV.source.JDXDecompressor.actions[a]= +4;break;case "?":JSV.source.JDXDecompressor.actions[a]=-1;break;case "@":case "A":case "B":case "C":case "D":case "E":case "F":case "G":case "H":case "I":case "a":case "b":case "c":case "d":case "e":case "f":case "g":case "h":case "i":JSV.source.JDXDecompressor.actions[a]=3;break;case "S":case "T":case "U":case "V":case "W":case "X":case "Y":case "Z":case "s":JSV.source.JDXDecompressor.actions[a]=2}});m("JSV.source");x(["JU.Lst"],"JSV.source.JDXHeader",null,function(){c$=u(function(){this.title=""; +this.jcampdx="5.01";this.origin=this.dataClass=this.dataType="";this.owner="PUBLIC DOMAIN";this.time=this.date=this.longDate="";this.headerTable=this.qualifiedType=null;t(this,arguments)},JSV.source,"JDXHeader");O(c$,function(){this.headerTable=new 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this.isTabularData=0<="##DATATABLE##PEAKTABLE##XYDATA##XYPOINTS#".indexOf(a+"#")},"~S");c(c$,"addSpectrum",function(a,b){if(!this.loadImaginary&&a.isImaginary())return JU.Logger.info("FileReader skipping imaginary spectrum -- use LOADIMAGINARY TRUE to load this spectrum."),!0;if(null!=this.acdAssignments){if(!a.dataType.equals("MASS SPECTRUM")&&!a.isContinuous())return JU.Logger.info("Skipping ACD Labs line spectrum for "+ +a),!0;if(0this.lastSpec)return!(this.done=!0);a.setBlockID(this.blockID);this.source.addJDXSpectrum(null,a,b);return!0},"JSV.common.Spectrum,~B");c(c$,"getBlockSpectra",function(a){JU.Logger.debug("--JDX block start--");for(var b="",c=null,f=0==this.source.type,g=!1;null!=(b=this.t.getLabel())&&!b.equals("##TITLE");)c=this.getValue(b),f&&!JSV.source.JDXReader.readHeaderLabel(this.source,b,c,this.errorLog,this.obscure)&&JSV.source.JDXReader.addHeader(a, 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+b.length)return!0;if(b.equals("##.OBSERVEFREQUENCY "))return a.setObservedFreq(this.parseAFFN(b,c)),!1;if(b.equals("##.OBSERVENUCLEUS "))return a.setObservedNucleus(c),!1;if(b.equals("##$REFERENCEPOINT ")&&!a.isShiftTypeSpecified()){var e=c.indexOf(" ");0a.fileFirstX);a.setContinuous(!0);var f=new JSV.source.JDXDecompressor(this.t,a.fileFirstX,a.fileLastX,a.xFactor,a.yFactor,a.fileNPoints),g=System.currentTimeMillis(),e=f.decompressData(this.errorLog);JU.Logger.debugging&&JU.Logger.debug("decompression time = "+(System.currentTimeMillis()-g)+" ms");a.setXYCoords(e);g=f.getMinY();null!= +b&&(gb[1]&&(b[1]=g));a.finalizeCoordinates();this.errorLog.length()!=c&&(c=JSV.common.Coordinate.deltaX(a.fileLastX,a.fileFirstX,a.fileNPoints),this.logError(a.getTitle()),this.logError("firstX from Header "+a.fileFirstX),this.logError("lastX from Header "+a.fileLastX+" Found "+f.lastX),this.logError("deltaX from Header "+c),this.logError("Number of points in Header "+a.fileNPoints+" Found "+f.getNPointsFound()));JU.Logger.debugging&&System.err.println(this.errorLog.toString())}, +"JSV.source.JDXDataObject,~A");c$.addHeader=c(c$,"addHeader",function(a,b,c){for(var f=null,g=0;gb)return!1;this.getMpr().set(this,this.filePath, +null);try{switch(this.reader=new java.io.BufferedReader(new java.io.StringReader(c)),b){case 0:this.mpr.readModels();break;case 10:case 20:this.peakData=new JU.Lst;this.source.peakCount+=this.mpr.readPeaks(20==b,this.source.peakCount);break;case 30:this.acdAssignments=new JU.Lst;this.acdMolFile=JU.PT.rep(c,"$$ Empty String","");break;case 40:case 50:case 60:this.acdAssignments=this.mpr.readACDAssignments(a.fileNPoints,40==b);break}}catch(f){if(D(f,Exception))throw new JSV.exception.JSVException(f.getMessage()); +throw f;}finally{this.reader=null}return!0},"JSV.common.Spectrum,~S,~S");c(c$,"getMpr",function(){return null==this.mpr?this.mpr=JSV.common.JSViewer.getInterface("J.jsv.JDXMOLParser"):this.mpr});h(c$,"rd",function(){return this.reader.readLine()});h(c$,"setSpectrumPeaks",function(a,b,c){this.modelSpectrum.setPeakList(this.peakData,b,c);this.modelSpectrum.isNMR()&&this.modelSpectrum.setHydrogenCount(a)},"~N,~S,~S");h(c$,"addPeakData",function(a){null==this.peakData&&(this.peakData=new JU.Lst);this.peakData.addLast(new JSV.common.PeakInfo(a))}, +"~S");h(c$,"processModelData",function(){},"~S,~S,~S,~S,~S,~N,~N,~B");h(c$,"discardLinesUntilContains",function(a){for(var b;null!=(b=this.rd())&&0>b.indexOf(a););return b},"~S");h(c$,"discardLinesUntilContains2",function(a,b){for(var c;null!=(c=this.rd())&&0>c.indexOf(a)&&0>c.indexOf(b););return c},"~S,~S");h(c$,"discardLinesUntilNonBlank",function(){for(var a;null!=(a=this.rd())&&0==a.trim().length;);return a});G(c$,"VAR_LIST_TABLE",v(-1,["PEAKTABLE XYDATA XYPOINTS"," (XY..XY) (X++(Y..Y)) (XY..XY) "]), +"ERROR_SEPARATOR","=====================\n")});m("JSV.source");x(["JSV.source.JDXHeader"],"JSV.source.JDXSource",["JU.Lst"],function(){c$=u(function(){this.type=0;this.isCompoundSource=!1;this.jdxSpectra=null;this.errors="";this.filePath=null;this.peakCount=0;this.isView=!1;this.inlineData=null;t(this,arguments)},JSV.source,"JDXSource",JSV.source.JDXHeader);c(c$,"dispose",function(){this.jdxSpectra=this.headerTable=null});p(c$,function(a,b){H(this,JSV.source.JDXSource,[]);this.type=a;this.setFilePath(b); +this.headerTable=new JU.Lst;this.jdxSpectra=new JU.Lst;this.isCompoundSource=0!=a},"~N,~S");c(c$,"getJDXSpectrum",function(a){return this.jdxSpectra.size()<=a?null:this.jdxSpectra.get(a)},"~N");c(c$,"addJDXSpectrum",function(a,b,c){null==a&&(a=this.filePath);b.setFilePath(a);null!=this.inlineData&&b.setInlineData(this.inlineData);a=this.jdxSpectra.size();(0==a||!this.jdxSpectra.get(a-1).addSubSpectrum(b,c))&&this.jdxSpectra.addLast(b)},"~S,JSV.common.Spectrum,~B");c(c$,"getNumberOfSpectra",function(){return this.jdxSpectra.size()}); +c(c$,"getSpectra",function(){return this.jdxSpectra});c(c$,"getSpectraAsArray",function(){return null==this.jdxSpectra?null:this.jdxSpectra.toArray()});c(c$,"getErrorLog",function(){return this.errors});c(c$,"setErrorLog",function(a){this.errors=a},"~S");c(c$,"setFilePath",function(a){this.filePath=a},"~S");c(c$,"getFilePath",function(){return this.filePath});c$.createView=c(c$,"createView",function(a){var b=new JSV.source.JDXSource(-2,"view");b.isView=!0;for(var c=0;cc?(a&&JU.Logger.info("BAD JDX LINE -- no '=' (line "+ +this.lineNo+"): "+this.line),this.rawLabel=this.line,a||(this.line="")):(this.rawLabel=this.line.substring(0,c).trim(),a&&(this.line=this.line.substring(c+1)));this.labelLineNo=this.lineNo;JU.Logger.debugging&&JU.Logger.info(this.rawLabel);return JSV.source.JDXSourceStreamTokenizer.cleanLabel(this.rawLabel)},"~B");c$.cleanLabel=c(c$,"cleanLabel",function(a){if(null==a)return null;var b,c=new JU.SB;for(b=0;bthis.line.indexOf("$$"))return this.line.trim();var a=(new JU.SB).append(this.line);return JSV.source.JDXSourceStreamTokenizer.trimLines(a)});c(c$,"flushLine",function(){var a=(new JU.SB).append(this.line);this.line=null;return JSV.source.JDXSourceStreamTokenizer.trimLines(a)});c(c$,"readLine",function(){this.line=this.br.readLine();this.lineNo++;return this.line});c$.trimLines=c(c$,"trimLines", +function(a){var b=a.length(),c=b-1,f=JSV.source.JDXSourceStreamTokenizer.ptNonWhite(a,0,b);if(f>=b)return"";for(var g=da(b-f,"\x00"),e=0;f"\n\r".indexOf(a.charAt(f)););continue}}"\n"==h&&0= 0 ? "+" : "") + n; +n = JU.PT.parseInt (s.substring (i1 + (s.indexOf ("E+") == i1 ? 2 : 1))) + n; +var f = JU.PT.parseFloat (s.substring (0, i1)); +sf = JU.DF.formatDecimal (f, decimalDigits - 1); +if (sf.startsWith ("10.")) { +sf = JU.DF.formatDecimal (1, decimalDigits - 1); +n++; +}}return (isNeg ? "-" : "") + sf + "E" + (n >= 0 ? "+" : "") + n; }if (decimalDigits >= JU.DF.formattingStrings.length) decimalDigits = JU.DF.formattingStrings.length - 1; var s1 = ("" + value).toUpperCase (); var pt = s1.indexOf ("."); if (pt < 0) return s1 + JU.DF.formattingStrings[decimalDigits].substring (1); -var isNeg = s1.startsWith ("-"); -if (isNeg) { -s1 = s1.substring (1); -pt--; -}var pt1 = s1.indexOf ("E-"); +var pt1 = s1.indexOf ("E-"); if (pt1 > 0) { n = JU.PT.parseInt (s1.substring (pt1 + 1)); s1 = "0." + "0000000000000000000000000000000000000000".substring (0, -n - 1) + s1.substring (0, 1) + s1.substring (2, pt1); @@ -11757,7 +11761,7 @@ pt = s1.indexOf ("."); }var len = s1.length; var pt2 = decimalDigits + pt + 1; if (pt2 < len && s1.charAt (pt2) >= '5') { -return JU.DF.formatDecimal (value + (isNeg ? -1 : 1) * JU.DF.formatAdds[decimalDigits], decimalDigits); +return JU.DF.formatDecimal ((isNeg ? -1 : 1) * (value + JU.DF.formatAdds[decimalDigits]), decimalDigits); }var s0 = s1.substring (0, (decimalDigits == 0 ? pt : ++pt)); var sb = JU.SB.newS (s0); if (isNeg && s0.equals ("0.") && decimalDigits + 2 <= len && s1.substring (2, 2 + decimalDigits).equals ("0000000000000000000000000000000000000000".substring (0, decimalDigits))) isNeg = false; @@ -11775,6 +11779,15 @@ var m = str.length - 1; var zero = '0'; while (m >= 0 && str.charAt (m) == zero) m--; +return str.substring (0, m + 1); +}, "~N,~N"); +c$.formatDecimalTrimmed0 = Clazz_defineMethod (c$, "formatDecimalTrimmed0", +function (x, precision) { +var str = JU.DF.formatDecimalDbl (x, precision); +var m = str.length - 1; +var pt = str.indexOf (".") + 1; +while (m > pt && str.charAt (m) == '0') m--; + return str.substring (0, m + 1); }, "~N,~N"); Clazz_defineStatics (c$, @@ -12779,6 +12792,12 @@ this.m31 -= m1.m31; this.m32 -= m1.m32; this.m33 -= m1.m33; }, "JU.M4"); +Clazz_defineMethod (c$, "add", +function (pt) { +this.m03 += pt.x; +this.m13 += pt.y; +this.m23 += pt.z; +}, "JU.T3"); Clazz_defineMethod (c$, "transpose", function () { this.transpose33 (); @@ -12951,28 +12970,37 @@ this.bytes = null; this.bigEndian = true; Clazz_instantialize (this, arguments); }, JU, "OC", java.io.OutputStream, javajs.api.GenericOutputChannel); -Clazz_overrideMethod (c$, "isBigEndian", +Clazz_makeConstructor (c$, function () { -return this.bigEndian; +Clazz_superConstructor (this, JU.OC, []); }); -Clazz_defineMethod (c$, "setBigEndian", -function (TF) { -this.bigEndian = TF; -}, "~B"); +Clazz_makeConstructor (c$, +function (fileName) { +Clazz_superConstructor (this, JU.OC, []); +this.setParams (null, fileName, false, null); +}, "~S"); Clazz_defineMethod (c$, "setParams", function (bytePoster, fileName, asWriter, os) { this.bytePoster = bytePoster; -this.fileName = fileName; this.$isBase64 = ";base64,".equals (fileName); if (this.$isBase64) { fileName = null; this.os0 = os; os = null; -}this.os = os; +}this.fileName = fileName; +this.os = os; this.isLocalFile = (fileName != null && !JU.OC.isRemote (fileName)); if (asWriter && !this.$isBase64 && os != null) this.bw = new java.io.BufferedWriter ( new java.io.OutputStreamWriter (os)); return this; }, "javajs.api.BytePoster,~S,~B,java.io.OutputStream"); +Clazz_overrideMethod (c$, "isBigEndian", +function () { +return this.bigEndian; +}); +Clazz_defineMethod (c$, "setBigEndian", +function (TF) { +this.bigEndian = TF; +}, "~B"); Clazz_defineMethod (c$, "setBytes", function (b) { this.bytes = b; @@ -13139,8 +13167,8 @@ return ret; }var jmol = null; var _function = null; { -jmol = self.J2S || Jmol; _function = (typeof this.fileName == "function" ? -this.fileName : null); +jmol = self.J2S || Jmol; _function = (typeof this.fileName == +"function" ? this.fileName : null); }if (jmol != null) { var data = (this.sb == null ? this.toByteArray () : this.sb.toString ()); if (_function == null) jmol.doAjax (this.fileName, null, data, this.sb == null); @@ -13185,13 +13213,11 @@ c$.isRemote = Clazz_defineMethod (c$, "isRemote", function (fileName) { if (fileName == null) return false; var itype = JU.OC.urlTypeIndex (fileName); -return (itype >= 0 && itype != 5); +return (itype >= 0 && itype < 4); }, "~S"); c$.isLocal = Clazz_defineMethod (c$, "isLocal", function (fileName) { -if (fileName == null) return false; -var itype = JU.OC.urlTypeIndex (fileName); -return (itype < 0 || itype == 5); +return (fileName != null && !JU.OC.isRemote (fileName)); }, "~S"); c$.urlTypeIndex = Clazz_defineMethod (c$, "urlTypeIndex", function (name) { @@ -13220,8 +13246,9 @@ function (x) { this.writeInt (x == 0 ? 0 : Float.floatToIntBits (x)); }, "~N"); Clazz_defineStatics (c$, -"urlPrefixes", Clazz_newArray (-1, ["http:", "https:", "sftp:", "ftp:", "cache://", "file:"]), -"URL_LOCAL", 5); +"urlPrefixes", Clazz_newArray (-1, ["http:", "https:", "sftp:", "ftp:", "file:", "cache:"]), +"URL_LOCAL", 4, +"URL_CACHE", 5); }); Clazz_declarePackage ("JU"); Clazz_load (["JU.T3"], "JU.P3", null, function () { @@ -13246,6 +13273,10 @@ p.y = y; p.z = z; return p; }, "~N,~N,~N"); +c$.newA = Clazz_defineMethod (c$, "newA", +function (a) { +return JU.P3.new3 (a[0], a[1], a[2]); +}, "~A"); Clazz_defineStatics (c$, "unlikely", null); }); @@ -15182,7 +15213,7 @@ this.loader.processModelData (sb.toString (), this.thisModelID, modelType, this. Clazz_defineMethod (c$, "findRecord", function (tag) { if (this.line == null) this.readLine (); -if (this.line.indexOf ("<" + tag) < 0) this.line = this.loader.discardLinesUntilContains2 ("<" + tag, "##"); +if (this.line != null && this.line.indexOf ("<" + tag) < 0) this.line = this.loader.discardLinesUntilContains2 ("<" + tag, "##"); return (this.line != null && this.line.indexOf ("<" + tag) >= 0); }, "~S"); Clazz_defineMethod (c$, "readLine", @@ -15837,10 +15868,6 @@ Clazz_overrideMethod (c$, "isSigned", function () { return this.app.isSigned (); }); -Clazz_overrideMethod (c$, "finalize", -function () { -System.out.println ("JSpecView " + this + " finalized"); -}); Clazz_overrideMethod (c$, "destroy", function () { this.app.dispose (); @@ -16351,7 +16378,7 @@ function (c1, c2) { return (c1.getXVal () > c2.getXVal () ? 1 : c1.getXVal () < c2.getXVal () ? -1 : 0); }, "JSV.common.Coordinate,JSV.common.Coordinate"); Clazz_declarePackage ("JSV.common"); -Clazz_load (["JSV.common.CoordComparator"], "JSV.common.Coordinate", ["java.lang.Double", "java.util.Arrays", "$.StringTokenizer", "JU.DF", "$.Lst"], function () { +Clazz_load (["JSV.common.CoordComparator"], "JSV.common.Coordinate", ["java.lang.Double", "java.util.Arrays", "$.StringTokenizer", "JU.Lst"], function () { c$ = Clazz_decorateAsClass (function () { this.xVal = 0; this.yVal = 0; @@ -16374,14 +16401,6 @@ Clazz_defineMethod (c$, "getYVal", function () { return this.yVal; }); -Clazz_defineMethod (c$, "getXString", -function () { -return JU.DF.formatDecimalTrimmed (this.xVal, 8); -}); -Clazz_defineMethod (c$, "getYString", -function () { -return JU.DF.formatDecimalTrimmed (this.yVal, 8); -}); Clazz_defineMethod (c$, "setXVal", function (val) { this.xVal = val; @@ -16449,8 +16468,7 @@ return xyCoords.toArray (coord); }, "~S,~N,~N"); c$.deltaX = Clazz_defineMethod (c$, "deltaX", function (last, first, numPoints) { -var test = (last - first) / (numPoints - 1); -return test; +return (last - first) / (numPoints - 1); }, "~N,~N,~N"); c$.removeScale = Clazz_defineMethod (c$, "removeScale", function (xyCoords, xScale, yScale) { @@ -16464,29 +16482,6 @@ xyCoords[i].setXVal (xyCoords[i].getXVal () * xScale); xyCoords[i].setYVal (xyCoords[i].getYVal () * yScale); } }}, "~A,~N,~N"); -c$.applyShiftReference = Clazz_defineMethod (c$, "applyShiftReference", -function (xyCoords, dataPointNum, firstX, lastX, offset, observedFreq, shiftRefType) { -if (dataPointNum > xyCoords.length || dataPointNum < 0) return; -var coord; -switch (shiftRefType) { -case 0: -offset = xyCoords[xyCoords.length - dataPointNum].getXVal () - offset * observedFreq; -break; -case 1: -offset = firstX - offset * observedFreq; -break; -case 2: -offset = lastX + offset; -break; -} -for (var index = 0; index < xyCoords.length; index++) { -coord = xyCoords[index]; -coord.setXVal (coord.getXVal () - offset); -xyCoords[index] = coord; -} -firstX -= offset; -lastX -= offset; -}, "~A,~N,~N,~N,~N,~N,~N"); c$.getMinX = Clazz_defineMethod (c$, "getMinX", function (coords, start, end) { var min = 1.7976931348623157E308; @@ -17743,6 +17738,7 @@ if (this.pd.getBoolean (JSV.common.ScriptToken.YSCALEON)) this.drawYScale (gMain if (subIndex >= 0) this.draw2DUnits (gMain); }this.drawWidgets (gFront, g2, subIndex, needNewPins, doDraw1DObjects, true, false); this.drawWidgets (gFront, g2, subIndex, needNewPins, doDraw1DObjects, true, true); +this.widgetsAreSet = true; }if (this.annotations != null) this.drawAnnotations (gFront, this.annotations, null); }, "~O,~O,~O,~N,~B,~B,~B"); Clazz_defineMethod (c$, "drawSpectrumSource", @@ -20273,7 +20269,8 @@ nCount = 0; nCount = 0; y0 = y; }} -if (this.spec.nH > 0) this.factorAllIntegrals (this.spec.nH / this.percentRange, false); +var nH = this.spec.getHydrogenCount (); +if (nH > 0) this.factorAllIntegrals (nH / this.percentRange, false); }); Clazz_defineMethod (c$, "getInfo", function (info) { @@ -20317,29 +20314,26 @@ c$.$HEADER = c$.prototype.$HEADER = Clazz_newArray (-1, ["peak", "start/ppm", " Clazz_declarePackage ("JSV.common"); Clazz_load (["java.lang.Enum", "JSV.source.JDXDataObject", "JU.Lst"], "JSV.common.Spectrum", ["java.lang.Boolean", "$.Double", "java.util.Hashtable", "JU.PT", "JSV.common.Coordinate", "$.Parameters", "$.PeakInfo", "JSV.source.JDXSourceStreamTokenizer", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { +this.id = ""; +this.fillColor = null; this.subSpectra = null; this.peakList = null; -this.piUnitsX = null; -this.piUnitsY = null; +this.peakXLabel = null; +this.peakYLabel = null; this.selectedPeak = null; this.highlightedPeak = null; +this.convertedSpectrum = null; this.specShift = 0; +this.userYFactor = 1; this.currentSubSpectrumIndex = 0; this.$isForcedSubset = false; -this.id = ""; -this.convertedSpectrum = null; -this.userYFactor = 1; this.exportXAxisLeftToRight = false; -this.fillColor = null; +this.titleLabel = null; Clazz_instantialize (this, arguments); }, JSV.common, "Spectrum", JSV.source.JDXDataObject); Clazz_prepareFields (c$, function () { this.peakList = new JU.Lst (); }); -Clazz_overrideMethod (c$, "finalize", -function () { -System.out.println ("JDXSpectrum " + this + " finalized " + this.title); -}); Clazz_defineMethod (c$, "dispose", function () { }); @@ -20362,7 +20356,7 @@ Clazz_defineMethod (c$, "copy", function () { var newSpectrum = new JSV.common.Spectrum (); this.copyTo (newSpectrum); -newSpectrum.setPeakList (this.peakList, this.piUnitsX, null); +newSpectrum.setPeakList (this.peakList, this.peakXLabel, null); newSpectrum.fillColor = this.fillColor; return newSpectrum; }); @@ -20375,10 +20369,10 @@ function () { return this.peakList; }); Clazz_defineMethod (c$, "setPeakList", -function (list, piUnitsX, piUnitsY) { +function (list, peakXLabel, peakYLabel) { this.peakList = list; -this.piUnitsX = piUnitsX; -this.piUnitsY = piUnitsY; +this.peakXLabel = peakXLabel; +this.peakYLabel = peakYLabel; for (var i = list.size (); --i >= 0; ) this.peakList.get (i).spectrum = this; if (JU.Logger.debugging) JU.Logger.info ("Spectrum " + this.getTitle () + " peaks: " + list.size ()); @@ -20451,13 +20445,14 @@ return (this.selectedPeak != null ? this.selectedPeak.getTitle () : this.highlig }); Clazz_defineMethod (c$, "getTitleLabel", function () { +if (this.titleLabel != null) return this.titleLabel; var type = (this.peakList == null || this.peakList.size () == 0 ? this.getQualifiedDataType () : this.peakList.get (0).getType ()); if (type != null && type.startsWith ("NMR")) { if (this.nucleusY != null && !this.nucleusY.equals ("?")) { type = "2D" + type; } else { -type = this.nucleusX + type; -}}return (type != null && type.length > 0 ? type + " " : "") + this.getTitle (); +type = JSV.source.JDXDataObject.getNominalSpecFreq (this.nucleusX, this.getObservedFreq ()) + " MHz " + this.nucleusX + " " + type; +}}return this.titleLabel = (type != null && type.length > 0 ? type + " " : "") + this.getTitle (); }); Clazz_defineMethod (c$, "setNextPeak", function (coord, istep) { @@ -20599,7 +20594,7 @@ return (this.currentSubSpectrumIndex = JSV.common.Coordinate.intoRange (n, 0, th }, "~N"); Clazz_defineMethod (c$, "addSubSpectrum", function (spectrum, forceSub) { -if (!forceSub && (this.numDim < 2 || this.blockID != spectrum.blockID) || !JSV.common.Spectrum.allowSubSpec (this, spectrum)) return false; +if (!forceSub && (this.is1D () || this.blockID != spectrum.blockID) || !JSV.common.Spectrum.allowSubSpec (this, spectrum)) return false; this.$isForcedSubset = forceSub; if (this.subSpectra == null) { this.subSpectra = new JU.Lst (); @@ -20663,7 +20658,7 @@ keys += " titleLabel type isHZToPPM subSpectrumCount"; } else { JSV.common.Parameters.putInfo (key, info, "titleLabel", this.getTitleLabel ()); JSV.common.Parameters.putInfo (key, info, "type", this.getDataType ()); -JSV.common.Parameters.putInfo (key, info, "isHZToPPM", Boolean.$valueOf (this.$isHZtoPPM)); +JSV.common.Parameters.putInfo (key, info, "isHZToPPM", Boolean.$valueOf (this.isHZtoPPM ())); JSV.common.Parameters.putInfo (key, info, "subSpectrumCount", Integer.$valueOf (this.subSpectra == null ? 0 : this.subSpectra.size ())); }}if (keys != null) info.put ("KEYS", keys); return info; @@ -20688,10 +20683,6 @@ throw e; } return info; }, "~S"); -Clazz_overrideMethod (c$, "toString", -function () { -return this.getTitleLabel (); -}); Clazz_defineMethod (c$, "findMatchingPeakInfo", function (pi) { for (var i = 0; i < this.peakList.size (); i++) if (this.peakList.get (i).checkTypeMatch (pi)) return this.peakList.get (i); @@ -20704,10 +20695,10 @@ return (this.peakList.size () == 0 ? new JSV.common.PeakInfo () : new JSV.comm }); Clazz_defineMethod (c$, "getAxisLabel", function (isX) { -var units = (isX ? this.piUnitsX : this.piUnitsY); -if (units == null) units = (isX ? this.xLabel : this.yLabel); -if (units == null) units = (isX ? this.xUnits : this.yUnits); -return (units == null ? "" : units.equalsIgnoreCase ("WAVENUMBERS") ? "1/cm" : units.equalsIgnoreCase ("nanometers") ? "nm" : units); +var label = (isX ? this.peakXLabel : this.peakYLabel); +if (label == null) label = (isX ? this.xLabel : this.yLabel); +if (label == null) label = (isX ? this.xUnits : this.yUnits); +return (label == null ? "" : label.equalsIgnoreCase ("WAVENUMBERS") ? "1/cm" : label.equalsIgnoreCase ("nanometers") ? "nm" : label); }, "~B"); Clazz_defineMethod (c$, "findXForPeakNearest", function (x) { @@ -20755,10 +20746,6 @@ c$.areLinkableY = Clazz_defineMethod (c$, "areLinkableY", function (s1, s2) { return (s1.isNMR () && s2.isNMR () && s1.nucleusX.equals (s2.nucleusY)); }, "JSV.common.Spectrum,JSV.common.Spectrum"); -Clazz_defineMethod (c$, "setNHydrogens", -function (nH) { -this.nH = nH; -}, "~N"); Clazz_defineMethod (c$, "getPeakWidth", function () { var w = this.getLastX () - this.getFirstX (); @@ -20777,6 +20764,10 @@ function (color) { this.fillColor = color; if (this.convertedSpectrum != null) this.convertedSpectrum.fillColor = color; }, "javajs.api.GenericColor"); +Clazz_overrideMethod (c$, "toString", +function () { +return this.getTitleLabel () + (this.xyCoords == null ? "" : " xyCoords.length=" + this.xyCoords.length); +}); Clazz_pu$h(self.c$); c$ = Clazz_declareType (JSV.common.Spectrum, "IRMode", Enum); c$.getMode = Clazz_defineMethod (c$, "getMode", @@ -20800,25 +20791,59 @@ c$ = Clazz_p0p (); Clazz_defineStatics (c$, "MAXABS", 4); }); -Jmol.___JSVDate="$Date: 2019-04-26 13:58:53 -0500 (Fri, 26 Apr 2019) $" -Jmol.___JSVSvnRev="$LastChangedRevision: 21963 $" -Jmol.___JSVVersion="14.2.8" Clazz_declarePackage ("JSV.common"); c$ = Clazz_declareType (JSV.common, "JSVersion"); Clazz_defineStatics (c$, +"VERSION_SHORT", null, "VERSION", null, -"VERSION_SHORT", null); +"date", null, +"versionInt", 0, +"majorVersion", null); { var tmpVersion = null; var tmpDate = null; -var tmpSVN = null; { -tmpVersion = Jmol.___JSVVersion; tmpDate = Jmol.___JSVDate; -tmpSVN = Jmol.___JSVSvnRev; -}if (tmpDate != null) tmpDate = tmpDate.substring (7, 23); -tmpSVN = (tmpSVN == null ? "" : "/SVN" + tmpSVN.substring (22, 27)); -JSV.common.JSVersion.VERSION_SHORT = (tmpVersion != null ? tmpVersion : "(Unknown version)"); -JSV.common.JSVersion.VERSION = JSV.common.JSVersion.VERSION_SHORT + tmpSVN + "/" + (tmpDate != null ? tmpDate : "(Unknown date)"); +tmpVersion = Jmol.___JmolVersion; tmpDate = Jmol.___JmolDate; +}if (tmpDate != null) { +tmpDate = tmpDate.substring (7, 23); +}JSV.common.JSVersion.VERSION_SHORT = (tmpVersion != null ? tmpVersion : "(Unknown_version)"); +var mv = (tmpVersion != null ? tmpVersion : "(Unknown_version)"); +JSV.common.JSVersion.date = (tmpDate != null ? tmpDate : ""); +JSV.common.JSVersion.VERSION = JSV.common.JSVersion.VERSION_SHORT + (JSV.common.JSVersion.date == null ? "" : " " + JSV.common.JSVersion.date); +var v = -1; +if (tmpVersion != null) try { +var s = JSV.common.JSVersion.VERSION_SHORT; +var major = ""; +var i = s.indexOf ("."); +if (i < 0) { +v = 100000 * Integer.parseInt (s); +s = null; +}if (s != null) { +v = 100000 * Integer.parseInt (major = s.substring (0, i)); +s = s.substring (i + 1); +i = s.indexOf ("."); +if (i < 0) { +v += 1000 * Integer.parseInt (s); +s = null; +}if (s != null) { +var m = s.substring (0, i); +major += "." + m; +mv = major; +v += 1000 * Integer.parseInt (m); +s = s.substring (i + 1); +i = s.indexOf ("_"); +if (i >= 0) s = s.substring (0, i); +i = s.indexOf (" "); +if (i >= 0) s = s.substring (0, i); +v += Integer.parseInt (s); +}}} catch (e) { +if (Clazz_exceptionOf (e, NumberFormatException)) { +} else { +throw e; +} +} +JSV.common.JSVersion.majorVersion = mv; +JSV.common.JSVersion.versionInt = v; }Clazz_declarePackage ("JSV.common"); Clazz_load (["java.util.Hashtable"], "JSV.common.JSVFileManager", ["java.io.BufferedInputStream", "$.BufferedReader", "$.InputStreamReader", "$.StringReader", "java.net.URL", "JU.AU", "$.BS", "$.Encoding", "$.JSJSONParser", "$.P3", "$.PT", "$.SB", "JSV.common.JSVersion", "$.JSViewer", "JSV.exception.JSVException", "JU.Logger"], function () { c$ = Clazz_declareType (JSV.common, "JSVFileManager"); @@ -20925,7 +20950,6 @@ if (Clazz_instanceOf (ret, JU.SB) || Clazz_instanceOf (ret, String)) return new if (JSV.common.JSVFileManager.isAB (ret)) return new java.io.BufferedReader ( new java.io.StringReader ( String.instantialize (ret))); var bis = new java.io.BufferedInputStream (ret); var $in = bis; -if (JSV.common.JSVFileManager.isZipFile (bis)) return (JSV.common.JSViewer.getInterface ("JSV.common.JSVZipUtil")).newJSVZipFileSequentialReader ($in, subFileList, startCode); if (JSV.common.JSVFileManager.isGzip (bis)) $in = (JSV.common.JSViewer.getInterface ("JSV.common.JSVZipUtil")).newGZIPInputStream ($in); return new java.io.BufferedReader ( new java.io.InputStreamReader ($in, "UTF-8")); } catch (e) { @@ -20975,9 +20999,8 @@ return JSV.common.JSVFileManager.getBufferedReaderForStringOrBytes (data); }, "~S"); c$.isAB = Clazz_defineMethod (c$, "isAB", function (x) { -{ -return Clazz_isAB(x); -}}, "~O"); +return JU.AU.isAB (x); +}, "~O"); c$.isZipFile = Clazz_defineMethod (c$, "isZipFile", function (is) { try { @@ -21347,8 +21370,8 @@ Clazz_defineStatics (c$, c$.htCorrelationCache = c$.prototype.htCorrelationCache = new java.util.Hashtable (); Clazz_defineStatics (c$, "nciResolver", "https://cactus.nci.nih.gov/chemical/structure/%FILE/file?format=sdf&get3d=True", -"nmrdbServerH1", "http://www.nmrdb.org/tools/jmol/predict.php?POST?molfile=", -"nmrdbServerC13", "http://www.nmrdb.org/service/jsmol13c?POST?molfile=", +"nmrdbServerH1", "https://www.nmrdb.org/tools/jmol/predict.php?POST?molfile=", +"nmrdbServerC13", "https://www.nmrdb.org/service/jsmol13c?POST?molfile=", "stringCount", 0); }); Clazz_declarePackage ("JSV.common"); @@ -22313,7 +22336,8 @@ var isView = false; if (strUrl != null && strUrl.startsWith ("cache://")) { { data = Jmol.Cache.get(name = strUrl); -}}if (data != null) { +}}var file = null; +if (data != null) { try { fileName = name; newPath = filePath = JSV.common.JSVFileManager.getFullPathName (name); @@ -22328,13 +22352,13 @@ isView = true; newPath = fileName = filePath = "View" + (++this.nViews); } else if (strUrl != null) { try { +file = this.apiPlatform.newFile (strUrl); var u = new java.net.URL (JSV.common.JSVFileManager.appletDocumentBase, strUrl, null); filePath = u.toString (); this.recentURL = filePath; fileName = JSV.common.JSVFileManager.getTagName (filePath); } catch (e) { if (Clazz_exceptionOf (e, java.net.MalformedURLException)) { -var file = this.apiPlatform.newFile (strUrl); fileName = file.getName (); newPath = filePath = file.getFullPath (); this.recentURL = null; @@ -22353,7 +22377,7 @@ this.si.writeStatus (filePath + " is already open"); }if (!isAppend && !isView) this.close ("all"); this.si.setCursor (3); try { -this.si.siSetCurrentSource (isView ? JSV.source.JDXSource.createView (specs) : JSV.source.JDXReader.createJDXSource (data, filePath, this.obscureTitleFromUser === Boolean.TRUE, this.loadImaginary, firstSpec, lastSpec, this.nmrMaxY)); +this.si.siSetCurrentSource (isView ? JSV.source.JDXSource.createView (specs) : JSV.source.JDXReader.createJDXSource (file, data, filePath, this.obscureTitleFromUser === Boolean.TRUE, this.loadImaginary, firstSpec, lastSpec, this.nmrMaxY)); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { { @@ -23204,7 +23228,7 @@ var toHz = this.spec.isNMR () && units.equalsIgnoreCase ("HZ"); var data = JU.AU.newDouble2 (this.size ()); for (var pt = 0, i = this.size (); --i >= 0; ) { var y = this.get (i).getValue (); -if (toHz) y *= this.spec.observedFreq; +if (toHz) y *= this.spec.getObservedFreq (); data[pt++] = Clazz_newDoubleArray (-1, [this.get (i).getXVal (), this.get (i).getXVal2 (), y]); } return data; @@ -27034,10 +27058,6 @@ this.name = null; this.bgcolor = null; Clazz_instantialize (this, arguments); }, JSV.js2d, "JsPanel", null, JSV.api.JSVPanel); -Clazz_overrideMethod (c$, "finalize", -function () { -JU.Logger.info ("JSVPanel " + this + " finalized"); -}); Clazz_overrideMethod (c$, "getApiPlatform", function () { return this.apiPlatform; @@ -27472,6 +27492,17 @@ Clazz_overrideMethod (c$, "forceAsyncLoad", function (filename) { return false; }, "~S"); +Clazz_overrideMethod (c$, "getInChI", +function () { +return null; +}); +Clazz_overrideMethod (c$, "confirm", +function (msg, msgNo) { +var ok = false; +if (ok) return 0; +if (msgNo != null) ok = false; +return (ok ? 1 : 2); +}, "~S,~S"); }); Clazz_declarePackage ("JSV.js2d"); Clazz_load (["JSV.api.JSVMainPanel"], "JSV.js2d.JsMainPanel", null, function () { @@ -27536,48 +27567,47 @@ this.focusable = b; }, "~B"); }); Clazz_declarePackage ("JSV.source"); -Clazz_load (["JSV.source.JDXHeader"], "JSV.source.JDXDataObject", ["java.lang.Character", "$.Double", "JU.DF", "$.PT", "JSV.common.Annotation", "$.Coordinate", "$.Integral", "JSV.exception.JSVException", "JU.Logger"], function () { +Clazz_load (["JSV.source.JDXHeader", "java.util.Hashtable"], "JSV.source.JDXDataObject", ["java.lang.Character", "$.Double", "JU.DF", "$.PT", "JSV.common.Annotation", "$.Coordinate", "$.Integral", "JSV.exception.JSVException", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { +this.sourceID = ""; +this.isSimulation = false; +this.blockID = 0; this.filePath = null; this.filePathForwardSlash = null; -this.isSimulation = false; this.inlineData = null; -this.sourceID = ""; -this.blockID = 0; +this.fileShiftRef = 1.7976931348623157E308; +this.fileShiftRefType = -1; +this.fileShiftRefDataPt = -1; +this.minX = NaN; +this.minY = NaN; +this.maxX = NaN; +this.maxY = NaN; +this.deltaX = NaN; +this.xyCoords = null; +this.continuous = false; +this.$isHZtoPPM = false; +this.xIncreases = true; this.fileFirstX = 1.7976931348623157E308; this.fileLastX = 1.7976931348623157E308; -this.nPointsFile = -1; +this.fileNPoints = -1; this.xFactor = 1.7976931348623157E308; this.yFactor = 1.7976931348623157E308; -this.varName = ""; +this.nucleusX = null; +this.nucleusY = "?"; +this.freq2dX = NaN; +this.freq2dY = NaN; +this.y2DUnits = ""; +this.parent = null; this.xUnits = ""; this.yUnits = ""; this.xLabel = null; this.yLabel = null; -this.nH = 0; +this.varName = ""; this.observedNucl = ""; this.observedFreq = 1.7976931348623157E308; -this.parent = null; -this.offset = 1.7976931348623157E308; -this.shiftRefType = -1; -this.dataPointNum = -1; this.numDim = 1; -this.nucleusX = null; -this.nucleusY = "?"; -this.freq2dX = NaN; -this.freq2dY = NaN; +this.nH = 0; this.y2D = NaN; -this.y2DUnits = ""; -this.$isHZtoPPM = false; -this.xIncreases = true; -this.continuous = false; -this.xyCoords = null; -this.minX = NaN; -this.minY = NaN; -this.maxX = NaN; -this.maxY = NaN; -this.deltaX = NaN; -this.normalizationFactor = 1; Clazz_instantialize (this, arguments); }, JSV.source, "JDXDataObject", JSV.source.JDXHeader); Clazz_defineMethod (c$, "setInlineData", @@ -27604,9 +27634,10 @@ Clazz_defineMethod (c$, "setBlockID", function (id) { this.blockID = id; }, "~N"); -Clazz_defineMethod (c$, "isImaginary", +Clazz_defineMethod (c$, "checkJDXRequiredTokens", function () { -return this.varName.contains ("IMAG"); +var missingTag = (this.fileFirstX == 1.7976931348623157E308 ? "##FIRSTX" : this.fileLastX == 1.7976931348623157E308 ? "##LASTX" : this.fileNPoints == -1 ? "##NPOINTS" : this.xFactor == 1.7976931348623157E308 ? "##XFACTOR" : this.yFactor == 1.7976931348623157E308 ? "##YFACTOR" : null); +if (missingTag != null) throw new JSV.exception.JSVException ("Error Reading Data Set: " + missingTag + " not found"); }); Clazz_defineMethod (c$, "setXFactor", function (xFactor) { @@ -27624,10 +27655,13 @@ Clazz_defineMethod (c$, "getYFactor", function () { return this.yFactor; }); -Clazz_defineMethod (c$, "checkRequiredTokens", +Clazz_defineMethod (c$, "setVarName", +function (name) { +this.varName = name; +}, "~S"); +Clazz_defineMethod (c$, "isImaginary", function () { -var err = (this.fileFirstX == 1.7976931348623157E308 ? "##FIRSTX" : this.fileLastX == 1.7976931348623157E308 ? "##LASTX" : this.nPointsFile == -1 ? "##NPOINTS" : this.xFactor == 1.7976931348623157E308 ? "##XFACTOR" : this.yFactor == 1.7976931348623157E308 ? "##YFACTOR" : null); -if (err != null) throw new JSV.exception.JSVException ("Error Reading Data Set: " + err + " not found"); +return this.varName.contains ("IMAG"); }); Clazz_defineMethod (c$, "setXUnits", function (xUnits) { @@ -27657,8 +27691,12 @@ this.yLabel = value; Clazz_defineMethod (c$, "setObservedNucleus", function (value) { this.observedNucl = value; -if (this.numDim == 1) this.parent.nucleusX = this.nucleusX = this.fixNucleus (value); +if (this.is1D ()) this.parent.nucleusX = this.nucleusX = this.fixNucleus (value); }, "~S"); +Clazz_defineMethod (c$, "getObservedNucleus", +function () { +return this.observedNucl; +}); Clazz_defineMethod (c$, "setObservedFreq", function (observedFreq) { this.observedFreq = observedFreq; @@ -27667,10 +27705,26 @@ Clazz_defineMethod (c$, "getObservedFreq", function () { return this.observedFreq; }); +Clazz_defineMethod (c$, "setHydrogenCount", +function (nH) { +this.nH = nH; +}, "~N"); +Clazz_defineMethod (c$, "getHydrogenCount", +function () { +return this.nH; +}); Clazz_defineMethod (c$, "is1D", function () { return this.numDim == 1; }); +Clazz_defineMethod (c$, "getNumDim", +function () { +return this.numDim; +}); +Clazz_defineMethod (c$, "setNumDim", +function (n) { +this.numDim = n; +}, "~N"); Clazz_defineMethod (c$, "setY2D", function (d) { this.y2D = d; @@ -27698,8 +27752,8 @@ var freq; if (this.observedNucl.indexOf (nuc) >= 0) { freq = this.observedFreq; } else { -var g1 = JSV.source.JDXDataObject.getGyroMagneticRatio (this.observedNucl); -var g2 = JSV.source.JDXDataObject.getGyroMagneticRatio (nuc); +var g1 = JSV.source.JDXDataObject.getGyromagneticRatio (this.fixNucleus (this.observedNucl)); +var g2 = JSV.source.JDXDataObject.getGyromagneticRatio (nuc); freq = this.observedFreq * g2 / g1; }if (isX) this.freq2dX = freq; else this.freq2dY = freq; @@ -27709,16 +27763,30 @@ Clazz_defineMethod (c$, "fixNucleus", function (nuc) { return JU.PT.rep (JU.PT.trim (nuc, "[]^<>"), "NUC_", ""); }, "~S"); -c$.getGyroMagneticRatio = Clazz_defineMethod (c$, "getGyroMagneticRatio", - function (nuc) { +c$.getNominalSpecFreq = Clazz_defineMethod (c$, "getNominalSpecFreq", +function (nuc, freq) { +var d = freq * JSV.source.JDXDataObject.getGyromagneticRatio ("1H") / JSV.source.JDXDataObject.getGyromagneticRatio (nuc); +var century = Math.round (d / 100) * 100; +return (Double.isNaN (d) ? -1 : Math.abs (d - century) < 2 ? century : Math.round (d)); +}, "~S,~N"); +c$.getGyromagneticRatio = Clazz_defineMethod (c$, "getGyromagneticRatio", +function (nuc) { +var v = null; +try { +v = JSV.source.JDXDataObject.gyroMap.get (nuc); +if (v != null) return v.doubleValue (); var pt = 0; -while (pt < nuc.length && !Character.isDigit (nuc.charAt (pt))) pt++; +while (pt < nuc.length && Character.isDigit (nuc.charAt (pt))) pt++; -pt = JU.PT.parseInt (nuc.substring (pt)); -var i = 0; -for (; i < JSV.source.JDXDataObject.gyroData.length; i += 2) if (JSV.source.JDXDataObject.gyroData[i] >= pt) break; - -return (JSV.source.JDXDataObject.gyroData[i] == pt ? JSV.source.JDXDataObject.gyroData[i + 1] : NaN); +v = JSV.source.JDXDataObject.gyroMap.get (nuc.substring (0, pt)); +if (v != null) JSV.source.JDXDataObject.gyroMap.put (nuc, v); +} catch (e) { +if (Clazz_exceptionOf (e, Exception)) { +} else { +throw e; +} +} +return (v == null ? NaN : v.doubleValue ()); }, "~S"); Clazz_defineMethod (c$, "isTransmittance", function () { @@ -27794,7 +27862,7 @@ Clazz_defineMethod (c$, "shouldDisplayXAxisIncreasing", function () { var dt = this.dataType.toUpperCase (); var xu = this.xUnits.toUpperCase (); -if (dt.contains ("NMR") && !(dt.contains ("FID"))) { +if (dt.contains ("NMR") && !dt.contains ("FID")) { return false; } else if (dt.contains ("LINK") && xu.contains ("CM")) { return false; @@ -27846,7 +27914,7 @@ if (Double.isNaN (dx)) return ""; var precision = 1; var units = ""; if (this.isNMR ()) { -if (this.numDim == 1) { +if (this.is1D ()) { var isIntegral = (Clazz_instanceOf (m, JSV.common.Integral)); if (this.isHNMR () || isIntegral) { if (!isIntegral) { @@ -27913,13 +27981,13 @@ Clazz_defineMethod (c$, "getMaxY", function () { return (Double.isNaN (this.maxY) ? (this.maxY = JSV.common.Coordinate.getMaxY (this.xyCoords, 0, this.xyCoords.length - 1)) : this.maxY); }); -Clazz_defineMethod (c$, "doNormalize", +Clazz_defineMethod (c$, "normalizeSimulation", function (max) { if (!this.isNMR () || !this.is1D ()) return; -this.normalizationFactor = max / this.getMaxY (); +var f = max / this.getMaxY (); this.maxY = NaN; -JSV.common.Coordinate.applyScale (this.xyCoords, 1, this.normalizationFactor); -JU.Logger.info ("Y values have been scaled by a factor of " + this.normalizationFactor); +JSV.common.Coordinate.applyScale (this.xyCoords, 1, f); +JU.Logger.info ("Y values have been scaled by a factor of " + f); }, "~N"); Clazz_defineMethod (c$, "getDeltaX", function () { @@ -27945,9 +28013,9 @@ newObj.setContinuous (this.continuous); newObj.setIncreasing (this.xIncreases); newObj.observedFreq = this.observedFreq; newObj.observedNucl = this.observedNucl; -newObj.offset = this.offset; -newObj.dataPointNum = this.dataPointNum; -newObj.shiftRefType = this.shiftRefType; +newObj.fileShiftRef = this.fileShiftRef; +newObj.fileShiftRefDataPt = this.fileShiftRefDataPt; +newObj.fileShiftRefType = this.fileShiftRefType; newObj.$isHZtoPPM = this.$isHZtoPPM; newObj.numDim = this.numDim; newObj.nucleusX = this.nucleusX; @@ -28000,43 +28068,85 @@ if (this.isNMR ()) { return Clazz_newDoubleArray (-1, [x, y, x * this.observedFreq, (dx * this.observedFreq > 20 ? 0 : dx * this.observedFreq), (ddx * this.observedFreq > 20 ? 0 : ddx * this.observedFreq), (dddx * this.observedFreq > 20 ? 0 : dddx * this.observedFreq)]); }return Clazz_newDoubleArray (-1, [x, y]); }, "JSV.common.Measurement,~A,~N"); +Clazz_defineMethod (c$, "finalizeCoordinates", +function () { +var freq = (Double.isNaN (this.freq2dX) ? this.observedFreq : this.freq2dX); +var isHz = (freq != 1.7976931348623157E308 && this.getXUnits ().toUpperCase ().equals ("HZ")); +if (this.fileShiftRef != 1.7976931348623157E308 && freq != 1.7976931348623157E308 && this.dataType.toUpperCase ().contains ("SPECTRUM") && this.jcampdx.indexOf ("JEOL") < 0) { +this.applyShiftReference (isHz ? freq : 1, this.fileShiftRef); +}if (this.fileFirstX > this.fileLastX) JSV.common.Coordinate.reverse (this.xyCoords); +if (isHz) { +JSV.common.Coordinate.applyScale (this.xyCoords, (1.0 / freq), 1); +this.setXUnits ("PPM"); +this.setHZtoPPM (true); +}}); +Clazz_defineMethod (c$, "setShiftReference", +function (shift, pt, type) { +this.fileShiftRef = shift; +this.fileShiftRefDataPt = (pt > 0 ? pt : 1); +this.fileShiftRefType = type; +}, "~N,~N,~N"); +Clazz_defineMethod (c$, "isShiftTypeSpecified", +function () { +return (this.fileShiftRefType != -1); +}); +Clazz_defineMethod (c$, "applyShiftReference", + function (referenceFreq, shift) { +if (this.fileShiftRefDataPt > this.xyCoords.length || this.fileShiftRefDataPt < 0) return; +var coord; +switch (this.fileShiftRefType) { +case 0: +shift = this.xyCoords[this.fileShiftRefDataPt - 1].getXVal () - shift * referenceFreq; +break; +case 1: +shift = this.fileFirstX - shift * referenceFreq; +break; +case 2: +shift = this.fileLastX + shift; +break; +} +for (var index = 0; index < this.xyCoords.length; index++) { +coord = this.xyCoords[index]; +coord.setXVal (coord.getXVal () - shift); +this.xyCoords[index] = coord; +} +}, "~N,~N"); Clazz_defineStatics (c$, "ERROR", 1.7976931348623157E308, -"SCALE_NONE", 0, -"SCALE_TOP", 1, -"SCALE_BOTTOM", 2, -"SCALE_TOP_BOTTOM", 3, +"REF_TYPE_UNSPECIFIED", -1, +"REF_TYPE_STANDARD", 0, +"REF_TYPE_BRUKER", 1, +"REF_TYPE_VARIAN", 2, "gyroData", Clazz_newDoubleArray (-1, [1, 42.5774806, 2, 6.53590131, 3, 45.4148, 3, 32.436, 6, 6.2661, 7, 16.5483, 9, 5.9842, 10, 4.5752, 11, 13.663, 13, 10.70839657, 14, 3.07770646, 15, 4.31726570, 17, 5.7742, 19, 40.07757016, 21, 3.3631, 23, 11.26952167, 25, 2.6083, 27, 11.1031, 29, 8.4655, 31, 17.25144090, 33, 3.2717, 35, 4.1765, 37, 3.4765, 37, 5.819, 39, 3.46, 39, 1.9893, 40, 2.4737, 41, 1.0919, 43, 2.8688, 45, 10.3591, 47, 2.4041, 49, 2.4048, 50, 4.2505, 51, 11.2133, 53, 2.4115, 55, 10.5763, 57, 1.3816, 59, 10.077, 61, 3.8114, 63, 11.2982, 65, 12.103, 67, 2.6694, 69, 10.2478, 71, 13.0208, 73, 1.4897, 75, 7.315, 77, 8.1571, 79, 10.7042, 81, 11.5384, 83, 1.6442, 85, 4.1254, 87, 13.9811, 87, 1.8525, 89, 2.0949, 91, 3.9748, 93, 10.4523, 95, 2.7874, 97, 2.8463, 99, 9.6294, 99, 1.9553, 101, 2.1916, 103, 1.3477, 105, 1.957, 107, 1.7331, 109, 1.9924, 111, 9.0692, 113, 9.4871, 113, 9.3655, 115, 9.3856, 115, 14.0077, 117, 15.261, 119, 15.966, 121, 10.2551, 123, 5.5532, 123, 11.2349, 125, 13.5454, 127, 8.5778, 129, 11.8604, 131, 3.5159, 133, 5.6234, 135, 4.2582, 137, 4.7634, 138, 5.6615, 139, 6.0612, 137, 4.88, 139, 5.39, 141, 2.37, 141, 13.0359, 143, 2.319, 145, 1.429, 143, 11.59, 147, 5.62, 147, 1.7748, 149, 14631, 151, 10.5856, 153, 4.6745, 155, 1.312, 157, 1.72, 159, 10.23, 161, 1.4654, 163, 2.0508, 165, 9.0883, 167, 1.2281, 169, 3.531, 171, 7.5261, 173, 2.073, 175, 4.8626, 176, 3.451, 177, 1.7282, 179, 1.0856, 180, 4.087, 181, 5.1627, 183, 1.7957, 185, 9.7176, 187, 9.817, 187, 0.9856, 189, 3.3536, 191, 0.7658, 191, 0.8319, 195, 9.2922, 197, 0.7406, 199, 7.7123, 201, 2.8469, 203, 24.7316, 205, 24.9749, 207, 9.034, 209, 6.963, 209, 11.7, 211, 9.16, 223, 5.95, 223, 1.3746, 225, 11.187, 227, 5.6, 229, 1.4, 231, 10.2, 235, 0.83, 237, 9.57, 239, 3.09, 243, 4.6, 1E100])); -}); +c$.gyroMap = c$.prototype.gyroMap = new java.util.Hashtable (); +{ +for (var i = 0, n = JSV.source.JDXDataObject.gyroData.length - 1; i < n; i += 2) JSV.source.JDXDataObject.gyroMap.put ("" + Clazz_doubleToInt (JSV.source.JDXDataObject.gyroData[i]), Double.$valueOf (JSV.source.JDXDataObject.gyroData[i + 1])); + +}}); Clazz_declarePackage ("JSV.source"); -Clazz_load (null, "JSV.source.JDXDecompressor", ["java.lang.Double", "JSV.common.Coordinate", "JU.Logger"], function () { +Clazz_load (["java.util.Iterator"], "JSV.source.JDXDecompressor", ["java.lang.Double", "JSV.common.Coordinate", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { this.xFactor = 0; this.yFactor = 0; -this.deltaX = 0; this.nPoints = 0; this.ich = 0; -this.lineNumber = 0; this.t = null; this.firstX = 0; -this.dx = 0; +this.lastX = 0; this.maxY = 4.9E-324; this.minY = 1.7976931348623157E308; this.debugging = false; this.xyCoords = null; -this.ipt = 0; this.line = null; -this.lastLine = null; this.lineLen = 0; this.errorLog = null; -this.difVal = -2147483648; this.lastDif = -2147483648; this.dupCount = 0; -this.xval = 0; -this.yval = 0; -this.firstLastX = null; +this.nptsFound = 0; +this.lastY = 0; +this.isDIF = true; Clazz_instantialize (this, arguments); -}, JSV.source, "JDXDecompressor"); +}, JSV.source, "JDXDecompressor", null, java.util.Iterator); Clazz_defineMethod (c$, "getMinY", function () { return this.minY; @@ -28046,107 +28156,237 @@ function () { return this.maxY; }); Clazz_makeConstructor (c$, -function (t, firstX, xFactor, yFactor, deltaX, nPoints) { +function (t, firstX, lastX, xFactor, yFactor, nPoints) { this.t = t; this.firstX = firstX; +this.lastX = lastX; this.xFactor = xFactor; this.yFactor = yFactor; -this.deltaX = deltaX; this.nPoints = nPoints; -this.lineNumber = t.labelLineNo; this.debugging = JU.Logger.isActiveLevel (6); }, "JSV.source.JDXSourceStreamTokenizer,~N,~N,~N,~N,~N"); -Clazz_defineMethod (c$, "addPoint", - function (pt) { -if (this.ipt == this.xyCoords.length) { -var t = new Array (this.ipt * 2); -System.arraycopy (this.xyCoords, 0, t, 0, this.ipt); -this.xyCoords = t; -}var d = pt.getYVal (); -if (d > this.maxY) this.maxY = d; - else if (d < this.minY) this.minY = d; -if (this.debugging) this.logError ("Coord: " + this.ipt + pt); -this.xyCoords[this.ipt++] = pt; -this.firstLastX[1] = pt.getXVal (); -}, "JSV.common.Coordinate"); +Clazz_makeConstructor (c$, +function (line, lastY) { +this.line = line.trim (); +this.lineLen = line.length; +this.lastY = lastY; +}, "~S,~N"); Clazz_defineMethod (c$, "decompressData", -function (errorLog, firstLastX) { +function (errorLog) { this.errorLog = errorLog; -this.firstLastX = firstLastX; -if (this.debugging) this.logError ("firstX=" + this.firstX + " xFactor=" + this.xFactor + " yFactor=" + this.yFactor + " deltaX=" + this.deltaX + " nPoints=" + this.nPoints); -this.testAlgorithm (); +var deltaXcalc = JSV.common.Coordinate.deltaX (this.lastX, this.firstX, this.nPoints); +if (this.debugging) this.logError ("firstX=" + this.firstX + " lastX=" + this.lastX + " xFactor=" + this.xFactor + " yFactor=" + this.yFactor + " deltaX=" + deltaXcalc + " nPoints=" + this.nPoints); this.xyCoords = new Array (this.nPoints); -var difMax = Math.abs (0.35 * this.deltaX); -var dif14 = Math.abs (1.4 * this.deltaX); -var dif06 = Math.abs (0.6 * this.deltaX); +var difFracMax = 0.5; +var prevXcheck = 0; +var prevIpt = 0; +var lastXExpected = this.lastX; +var x = this.lastX = this.firstX; +var lastLine = null; +var ipt = 0; +var yval = 0; +var haveWarned = false; +var lineNumber = this.t.labelLineNo; try { while ((this.line = this.t.readLineTrimmed ()) != null && this.line.indexOf ("##") < 0) { -this.lineNumber++; -if (this.debugging) this.logError (this.lineNumber + "\t" + this.line); +lineNumber++; if ((this.lineLen = this.line.length) == 0) continue; this.ich = 0; -var isCheckPoint = (this.lastDif != -2147483648); -this.xval = this.getValueDelim () * this.xFactor; -if (this.ipt == 0) { -firstLastX[0] = this.xval; -this.dx = this.firstX - this.xval; -}this.xval += this.dx; -var point = new JSV.common.Coordinate ().set (this.xval, (this.yval = this.getYValue ()) * this.yFactor); -if (this.ipt == 0) { -this.addPoint (point); -} else { -var lastPoint = this.xyCoords[this.ipt - 1]; -var xdif = Math.abs (lastPoint.getXVal () - point.getXVal ()); -if (isCheckPoint && xdif < difMax) { -this.xyCoords[this.ipt - 1] = point; -var y = lastPoint.getYVal (); -var y1 = point.getYVal (); -if (y1 != y) this.logError (this.lastLine + "\n" + this.line + "\nY-value Checkpoint Error! Line " + this.lineNumber + " for y1=" + y1 + " y0=" + y); +var isCheckPoint = this.isDIF; +var xcheck = this.readSignedFloat () * this.xFactor; +yval = this.nextValue (yval); +if (!isCheckPoint && ipt > 0) x += deltaXcalc; +if (this.debugging) this.logError ("Line: " + lineNumber + " isCP=" + isCheckPoint + "\t>>" + this.line + "<<\n x, xcheck " + x + " " + x / this.xFactor + " " + xcheck / this.xFactor + " " + deltaXcalc / this.xFactor); +var y = yval * this.yFactor; +var point = new JSV.common.Coordinate ().set (x, y); +if (ipt == 0 || !isCheckPoint) { +this.addPoint (point, ipt++); +} else if (ipt < this.nPoints) { +var lastY = this.xyCoords[ipt - 1].getYVal (); +if (y != lastY) { +this.xyCoords[ipt - 1] = point; +this.logError (lastLine + "\n" + this.line + "\nY-value Checkpoint Error! Line " + lineNumber + " for y=" + y + " yLast=" + lastY); +}if (xcheck == prevXcheck || (xcheck < prevXcheck) != (deltaXcalc < 0)) { +this.logError (lastLine + "\n" + this.line + "\nX-sequence Checkpoint Error! Line " + lineNumber + " order for xCheck=" + xcheck + " after prevXCheck=" + prevXcheck); +}var xcheckDif = Math.abs (xcheck - prevXcheck); +var xiptDif = Math.abs ((ipt - prevIpt) * deltaXcalc); +var fracDif = Math.abs ((xcheckDif - xiptDif)) / xcheckDif; +if (this.debugging) System.err.println ("JDXD fracDif = " + xcheck + "\t" + prevXcheck + "\txcheckDif=" + xcheckDif + "\txiptDif=" + xiptDif + "\tf=" + fracDif); +if (fracDif > difFracMax) { +this.logError (lastLine + "\n" + this.line + "\nX-value Checkpoint Error! Line " + lineNumber + " expected " + xiptDif + " but X-Sequence Check difference reads " + xcheckDif); +}}prevIpt = (ipt == 1 ? 0 : ipt); +prevXcheck = xcheck; +var nX = 0; +while (this.hasNext ()) { +var ich0 = this.ich; +if (this.debugging) this.logError ("line " + lineNumber + " char " + ich0 + ":" + this.line.substring (0, ich0) + ">>>>" + this.line.substring (this.ich)); +if (Double.isNaN (yval = this.nextValue (yval))) { +this.logError ("There was an error reading line " + lineNumber + " char " + ich0 + ":" + this.line.substring (0, ich0) + ">>>>" + this.line.substring (ich0)); } else { -this.addPoint (point); -if (xdif < dif06 || xdif > dif14) this.logError (this.lastLine + "\n" + this.line + "\nX-sequence Checkpoint Error! Line " + this.lineNumber + " |x1-x0|=" + xdif + " instead of " + Math.abs (this.deltaX) + " for x1=" + point.getXVal () + " x0=" + lastPoint.getXVal ()); -}}while (this.ich < this.lineLen || this.difVal != -2147483648 || this.dupCount > 0) { -this.xval += this.deltaX; -if (!Double.isNaN (this.yval = this.getYValue ())) this.addPoint ( new JSV.common.Coordinate ().set (this.xval, this.yval * this.yFactor)); -} -this.lastLine = this.line; +x += deltaXcalc; +if (yval == 1.7976931348623157E308) { +yval = 0; +this.logError ("Point marked invalid '?' for line " + lineNumber + " char " + ich0 + ":" + this.line.substring (0, ich0) + ">>>>" + this.line.substring (ich0)); +}this.addPoint ( new JSV.common.Coordinate ().set (x, yval * this.yFactor), ipt++); +if (this.debugging) this.logError ("nx=" + ++nX + " " + x + " " + x / this.xFactor + " yval=" + yval); +}} +this.lastX = x; +if (!haveWarned && ipt > this.nPoints) { +this.logError ("! points overflow nPoints!"); +haveWarned = true; +}lastLine = this.line; } } catch (ioe) { if (Clazz_exceptionOf (ioe, java.io.IOException)) { +ioe.printStackTrace (); } else { throw ioe; } } -if (this.nPoints != this.ipt) { -this.logError ("Decompressor did not find " + this.nPoints + " points -- instead " + this.ipt); -var temp = new Array (this.ipt); -System.arraycopy (this.xyCoords, 0, temp, 0, this.ipt); -this.xyCoords = temp; -}return (this.deltaX > 0 ? this.xyCoords : JSV.common.Coordinate.reverse (this.xyCoords)); -}, "JU.SB,~A"); +this.checkZeroFill (ipt, lastXExpected); +return this.xyCoords; +}, "JU.SB"); +Clazz_defineMethod (c$, "checkZeroFill", + function (ipt, lastXExpected) { +this.nptsFound = ipt; +if (this.nPoints == this.nptsFound) { +if (Math.abs (lastXExpected - this.lastX) > 0.00001) this.logError ("Something went wrong! The last X value was " + this.lastX + " but expected " + lastXExpected); +} else { +this.logError ("Decompressor did not find " + this.nPoints + " points -- instead " + this.nptsFound + " xyCoords.length set to " + this.nPoints); +for (var i = this.nptsFound; i < this.nPoints; i++) this.addPoint ( new JSV.common.Coordinate ().set (0, NaN), i); + +}}, "~N,~N"); +Clazz_defineMethod (c$, "addPoint", + function (pt, ipt) { +if (ipt >= this.nPoints) return; +this.xyCoords[ipt] = pt; +var y = pt.getYVal (); +if (y > this.maxY) this.maxY = y; + else if (y < this.minY) this.minY = y; +if (this.debugging) this.logError ("Coord: " + ipt + pt); +}, "JSV.common.Coordinate,~N"); Clazz_defineMethod (c$, "logError", function (s) { if (this.debugging) JU.Logger.debug (s); +System.err.println (s); this.errorLog.append (s).appendC ('\n'); }, "~S"); -Clazz_defineMethod (c$, "getYValue", +Clazz_defineMethod (c$, "nextValue", + function (yval) { +if (this.dupCount > 0) return this.getDuplicate (yval); +var ch = this.skipUnknown (); +switch (JSV.source.JDXDecompressor.actions[ch.charCodeAt (0)]) { +case 1: +this.isDIF = true; +return yval + (this.lastDif = this.readNextInteger (ch == '%' ? 0 : ch <= 'R' ? ch.charCodeAt (0) - 73 : 105 - ch.charCodeAt (0))); +case 2: +this.dupCount = this.readNextInteger ((ch == 's' ? 9 : ch.charCodeAt (0) - 82)) - 1; +return this.getDuplicate (yval); +case 3: +yval = this.readNextSqueezedNumber (ch); +break; +case 4: +this.ich--; +yval = this.readSignedFloat (); +break; +case -1: +yval = 1.7976931348623157E308; +break; +default: +yval = NaN; +break; +} +this.isDIF = false; +return yval; +}, "~N"); +Clazz_defineMethod (c$, "skipUnknown", function () { -if (this.dupCount > 0) { ---this.dupCount; -this.yval = (this.lastDif == -2147483648 ? this.yval : this.yval + this.lastDif); -return this.yval; -}if (this.difVal != -2147483648) { -this.yval += this.difVal; -this.lastDif = this.difVal; -this.difVal = -2147483648; -return this.yval; -}if (this.ich == this.lineLen) return NaN; -var ch = this.line.charAt (this.ich); -if (this.debugging) JU.Logger.info ("" + ch); +var ch = '\u0000'; +while (this.ich < this.lineLen && JSV.source.JDXDecompressor.actions[(ch = this.line.charAt (this.ich++)).charCodeAt (0)] == 0) { +} +return ch; +}); +Clazz_defineMethod (c$, "readSignedFloat", + function () { +var ich0 = this.ich; +var ch = '\u0000'; +while (this.ich < this.lineLen && " ,\t\n".indexOf (ch = this.line.charAt (this.ich)) >= 0) this.ich++; + +var factor = 1; switch (ch) { -case '%': -this.difVal = 0; +case '-': +factor = -1; +case '+': +ich0 = ++this.ich; +break; +} +if (this.scanToNonnumeric () == 'E' && this.ich + 3 < this.lineLen) { +switch (this.line.charAt (this.ich + 1)) { +case '-': +case '+': +this.ich += 4; +if (this.ich < this.lineLen && (ch = this.line.charAt (this.ich)) >= '0' && ch <= '9') this.ich++; break; +} +}return factor * Double.parseDouble (this.line.substring (ich0, this.ich)); +}); +Clazz_defineMethod (c$, "getDuplicate", + function (yval) { +this.dupCount--; +return (this.isDIF ? yval + this.lastDif : yval); +}, "~N"); +Clazz_defineMethod (c$, "readNextInteger", + function (n) { +var c = String.fromCharCode (0); +while (this.ich < this.lineLen && (c = this.line.charAt (this.ich)) >= '0' && c <= '9') { +n = n * 10 + (n < 0 ? 48 - c.charCodeAt (0) : c.charCodeAt (0) - 48); +this.ich++; +} +return n; +}, "~N"); +Clazz_defineMethod (c$, "readNextSqueezedNumber", + function (ch) { +var ich0 = this.ich; +this.scanToNonnumeric (); +return Double.parseDouble ((ch.charCodeAt (0) > 0x60 ? 0x60 - ch.charCodeAt (0) : ch.charCodeAt (0) - 0x40) + this.line.substring (ich0, this.ich)); +}, "~S"); +Clazz_defineMethod (c$, "scanToNonnumeric", + function () { +var ch = String.fromCharCode (0); +while (this.ich < this.lineLen && ((ch = this.line.charAt (this.ich)) == '.' || ch >= '0' && ch <= '9')) this.ich++; + +return (this.ich < this.lineLen ? ch : '\0'); +}); +Clazz_defineMethod (c$, "getNPointsFound", +function () { +return this.nptsFound; +}); +Clazz_overrideMethod (c$, "hasNext", +function () { +return (this.ich < this.lineLen || this.dupCount > 0); +}); +Clazz_overrideMethod (c$, "next", +function () { +return (this.hasNext () ? Double.$valueOf (this.lastY = this.nextValue (this.lastY)) : null); +}); +Clazz_overrideMethod (c$, "remove", +function () { +}); +Clazz_defineStatics (c$, +"delimiters", " ,\t\n", +"actions", Clazz_newIntArray (255, 0), +"ACTION_INVALID", -1, +"ACTION_UNKNOWN", 0, +"ACTION_DIF", 1, +"ACTION_DUP", 2, +"ACTION_SQZ", 3, +"ACTION_NUMERIC", 4, +"INVALID_Y", 1.7976931348623157E308); +{ +for (var i = 0x25; i <= 0x73; i++) { +var c = String.fromCharCode (i); +switch (c) { +case '%': case 'J': case 'K': case 'L': @@ -28156,8 +28396,6 @@ case 'O': case 'P': case 'Q': case 'R': -this.difVal = ch.charCodeAt (0) - 73; -break; case 'j': case 'k': case 'l': @@ -28167,20 +28405,7 @@ case 'o': case 'p': case 'q': case 'r': -this.difVal = 105 - ch.charCodeAt (0); -break; -case 'S': -case 'T': -case 'U': -case 'V': -case 'W': -case 'X': -case 'Y': -case 'Z': -this.dupCount = ch.charCodeAt (0) - 82; -break; -case 's': -this.dupCount = 9; +JSV.source.JDXDecompressor.actions[i] = 1; break; case '+': case '-': @@ -28195,68 +28420,11 @@ case '6': case '7': case '8': case '9': -case '@': -case 'A': -case 'B': -case 'C': -case 'D': -case 'E': -case 'F': -case 'G': -case 'H': -case 'I': -case 'a': -case 'b': -case 'c': -case 'd': -case 'e': -case 'f': -case 'g': -case 'h': -case 'i': -this.lastDif = -2147483648; -return this.getValue (); +JSV.source.JDXDecompressor.actions[i] = 4; +break; case '?': -this.lastDif = -2147483648; -return NaN; -default: -this.ich++; -this.lastDif = -2147483648; -return this.getYValue (); -} -this.ich++; -if (this.difVal != -2147483648) this.difVal = this.getDifDup (this.difVal); - else this.dupCount = this.getDifDup (this.dupCount) - 1; -return this.getYValue (); -}); -Clazz_defineMethod (c$, "getDifDup", - function (i) { -var ich0 = this.ich; -this.next (); -var s = i + this.line.substring (ich0, this.ich); -return (ich0 == this.ich ? i : Integer.$valueOf (s).intValue ()); -}, "~N"); -Clazz_defineMethod (c$, "getValue", - function () { -var ich0 = this.ich; -if (this.ich == this.lineLen) return NaN; -var ch = this.line.charAt (this.ich); -var leader = 0; -switch (ch) { -case '+': -case '-': -case '.': -case '0': -case '1': -case '2': -case '3': -case '4': -case '5': -case '6': -case '7': -case '8': -case '9': -return this.getValueDelim (); +JSV.source.JDXDecompressor.actions[i] = -1; +break; case '@': case 'A': case 'B': @@ -28267,9 +28435,6 @@ case 'F': case 'G': case 'H': case 'I': -leader = ch.charCodeAt (0) - 64; -ich0 = ++this.ich; -break; case 'a': case 'b': case 'c': @@ -28279,53 +28444,22 @@ case 'f': case 'g': case 'h': case 'i': -leader = 96 - ch.charCodeAt (0); -ich0 = ++this.ich; +JSV.source.JDXDecompressor.actions[i] = 3; break; -default: -this.ich++; -return this.getValue (); -} -this.next (); -return Double.$valueOf (leader + this.line.substring (ich0, this.ich)).doubleValue (); -}); -Clazz_defineMethod (c$, "getValueDelim", - function () { -var ich0 = this.ich; -var ch = '\u0000'; -while (this.ich < this.lineLen && " ,\t\n".indexOf (ch = this.line.charAt (this.ich)) >= 0) this.ich++; - -var factor = 1; -switch (ch) { -case '-': -factor = -1; -case '+': -ich0 = ++this.ich; +case 'S': +case 'T': +case 'U': +case 'V': +case 'W': +case 'X': +case 'Y': +case 'Z': +case 's': +JSV.source.JDXDecompressor.actions[i] = 2; break; } -ch = this.next (); -if (ch == 'E' && this.ich + 3 < this.lineLen) switch (this.line.charAt (this.ich + 1)) { -case '-': -case '+': -this.ich += 4; -if (this.ich < this.lineLen && (ch = this.line.charAt (this.ich)) >= '0' && ch <= '9') this.ich++; -break; } -return factor * ((Double.$valueOf (this.line.substring (ich0, this.ich))).doubleValue ()); -}); -Clazz_defineMethod (c$, "next", - function () { -while (this.ich < this.lineLen && "+-%@ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrs? ,\t\n".indexOf (this.line.charAt (this.ich)) < 0) this.ich++; - -return (this.ich == this.lineLen ? '\0' : this.line.charAt (this.ich)); -}); -Clazz_defineMethod (c$, "testAlgorithm", - function () { -}); -Clazz_defineStatics (c$, -"allDelim", "+-%@ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrs? ,\t\n", -"WHITE_SPACE", " ,\t\n"); -}); +}}); Clazz_declarePackage ("JSV.source"); Clazz_load (["JU.Lst"], "JSV.source.JDXHeader", null, function () { c$ = Clazz_decorateAsClass (function () { @@ -28461,7 +28595,7 @@ Clazz_defineStatics (c$, "typeNames", Clazz_newArray (-1, ["ND NMR SPECTRUM NMR", "NMR SPECTRUM NMR", "INFRARED SPECTRUM IR", "MASS SPECTRUM MS", "RAMAN SPECTRUM RAMAN", "GAS CHROMATOGRAM GC", "UV/VIS SPECTRUM UV/VIS"])); }); Clazz_declarePackage ("JSV.source"); -Clazz_load (["J.api.JmolJDXMOLReader"], "JSV.source.JDXReader", ["java.io.BufferedReader", "$.InputStream", "$.StringReader", "java.lang.Double", "$.Float", "java.util.Hashtable", "$.StringTokenizer", "JU.AU", "$.Lst", "$.PT", "$.SB", "JSV.api.JSVZipReader", "JSV.common.Coordinate", "$.JSVFileManager", "$.JSViewer", "$.PeakInfo", "$.Spectrum", "JSV.exception.JSVException", "JSV.source.JDXDecompressor", "$.JDXSource", "$.JDXSourceStreamTokenizer", "JU.Logger"], function () { +Clazz_load (["J.api.JmolJDXMOLReader"], "JSV.source.JDXReader", ["java.io.BufferedReader", "$.InputStream", "$.StringReader", "java.lang.Double", "$.Float", "java.util.Hashtable", "$.LinkedHashMap", "$.StringTokenizer", "javajs.api.Interface", "JU.AU", "$.Lst", "$.PT", "$.Rdr", "$.SB", "JSV.api.JSVZipReader", "JSV.common.Coordinate", "$.JSVFileManager", "$.JSViewer", "$.PeakInfo", "$.Spectrum", "JSV.exception.JSVException", "JSV.source.JDXDecompressor", "$.JDXSource", "$.JDXSourceStreamTokenizer", "JU.Logger"], function () { c$ = Clazz_decorateAsClass (function () { this.nmrMaxY = NaN; this.source = null; @@ -28473,6 +28607,9 @@ this.isZipFile = false; this.filePath = null; this.loadImaginary = true; this.isSimulation = false; +this.ignoreShiftReference = false; +this.ignorePeakTables = false; +this.lastErrPath = null; this.isTabularData = false; this.firstSpec = 0; this.lastSpec = 0; @@ -28505,13 +28642,33 @@ this.loadImaginary = loadImaginary; }, "~S,~B,~B,~N,~N,~N"); c$.createJDXSourceFromStream = Clazz_defineMethod (c$, "createJDXSourceFromStream", function ($in, obscure, loadImaginary, nmrMaxY) { -return JSV.source.JDXReader.createJDXSource ($in, "stream", obscure, loadImaginary, -1, -1, nmrMaxY); +return JSV.source.JDXReader.createJDXSource (null, $in, "stream", obscure, loadImaginary, -1, -1, nmrMaxY); }, "java.io.InputStream,~B,~B,~N"); +c$.getHeaderMap = Clazz_defineMethod (c$, "getHeaderMap", +function ($in, map) { +return JSV.source.JDXReader.getHeaderMapS ($in, map, null); +}, "java.io.InputStream,java.util.Map"); +c$.getHeaderMapS = Clazz_defineMethod (c$, "getHeaderMapS", +function ($in, map, suffix) { +if (map == null) map = new java.util.LinkedHashMap (); +var hlist = JSV.source.JDXReader.createJDXSource (null, $in, null, false, false, 0, -1, 0).getJDXSpectrum (0).headerTable; +for (var i = 0, n = hlist.size (); i < n; i++) { +var h = hlist.get (i); +map.put ((suffix == null ? h[2] : h[2] + suffix), h[1]); +} +return map; +}, "java.io.InputStream,java.util.Map,~S"); c$.createJDXSource = Clazz_defineMethod (c$, "createJDXSource", -function ($in, filePath, obscure, loadImaginary, iSpecFirst, iSpecLast, nmrMaxY) { +function (file, $in, filePath, obscure, loadImaginary, iSpecFirst, iSpecLast, nmrMaxY) { +var isHeaderOnly = (iSpecLast < iSpecFirst); var data = null; var br; -if (Clazz_instanceOf ($in, String) || JU.AU.isAB ($in)) { +var bytes = null; +if (JU.AU.isAB ($in)) { +bytes = $in; +if (JU.Rdr.isZipB (bytes)) { +return JSV.source.JDXReader.readBrukerFileZip (bytes, file == null ? filePath : file.getFullPath ()); +}}if (Clazz_instanceOf ($in, String) || bytes != null) { if (Clazz_instanceOf ($in, String)) data = $in; br = JSV.common.JSVFileManager.getBufferedReaderForStringOrBytes ($in); } else if (Clazz_instanceOf ($in, java.io.InputStream)) { @@ -28519,43 +28676,61 @@ br = JSV.common.JSVFileManager.getBufferedReaderForInputStream ($in); } else { br = $in; }var header = null; +var source = null; try { -if (br == null) br = JSV.common.JSVFileManager.getBufferedReaderFromName (filePath, "##TITLE"); +if (br == null) { +if (file != null && file.isDirectory ()) return JSV.source.JDXReader.readBrukerFileDir (file.getFullPath ()); +br = JSV.common.JSVFileManager.getBufferedReaderFromName (filePath, "##TITLE"); +}if (!isHeaderOnly) { br.mark (400); var chs = Clazz_newCharArray (400, '\0'); br.read (chs, 0, 400); br.reset (); header = String.instantialize (chs); -var source = null; -var pt1 = header.indexOf ('#'); +if (header.startsWith ("PK")) { +br.close (); +return JSV.source.JDXReader.readBrukerFileZip (null, file.getFullPath ()); +}if (header.indexOf ('\0') >= 0 || header.indexOf ('\uFFFD') >= 0 || header.indexOf ("##TITLE= Parameter file") == 0 || header.indexOf ("##TITLE= Audit trail") == 0) { +br.close (); +return JSV.source.JDXReader.readBrukerFileDir (file.getParentAsFile ().getFullPath ()); +}var pt1 = header.indexOf ('#'); var pt2 = header.indexOf ('<'); if (pt1 < 0 || pt2 >= 0 && pt2 < pt1) { var xmlType = header.toLowerCase (); xmlType = (xmlType.contains (""); +break; +}continue; +}if (!isHeaderOnly) { +if (label.equals ("##DATATYPE") && value.toUpperCase ().equals ("LINK")) { this.getBlockSpectra (dataLDRTable); spectrum = null; continue; @@ -28584,16 +28763,36 @@ continue; this.getNTupleSpectra (dataLDRTable, spectrum, label); spectrum = null; continue; +}}if (label.equals ("##JCAMPDX")) { +this.setVenderSpecificValues (this.t.rawLine); }if (spectrum == null) spectrum = new JSV.common.Spectrum (); -if (this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure)) continue; -JSV.source.JDXReader.addHeader (dataLDRTable, this.t.rawLabel, value); -if (this.checkCustomTags (spectrum, label, value)) continue; +this.processLabel (spectrum, dataLDRTable, label, value, isHeaderOnly); } +if (isHeaderOnly && spectrum != null) this.addSpectrum (spectrum, false); } if (!isOK) throw new JSV.exception.JSVException ("##TITLE record not found"); this.source.setErrorLog (this.errorLog.toString ()); return this.source; -}, "~O"); +}, "~O,~B"); +Clazz_defineMethod (c$, "processLabel", + function (spectrum, dataLDRTable, label, value, isHeaderOnly) { +if (!this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure, isHeaderOnly) && !isHeaderOnly) return; +JSV.source.JDXReader.addHeader (dataLDRTable, this.t.rawLabel, value); +if (!isHeaderOnly) this.checkCustomTags (spectrum, label, value); +}, "JSV.common.Spectrum,JU.Lst,~S,~S,~B"); +Clazz_defineMethod (c$, "logError", + function (err) { +this.errorLog.append (this.filePath == null || this.filePath.equals (this.lastErrPath) ? "" : this.filePath).append ("\n").append (err).append ("\n"); +this.lastErrPath = this.filePath; +}, "~S"); +Clazz_defineMethod (c$, "setVenderSpecificValues", + function (rawLine) { +if (rawLine.indexOf ("JEOL") >= 0) { +System.out.println ("Skipping ##SHIFTREFERENCE for JEOL " + rawLine); +this.ignoreShiftReference = true; +}if (rawLine.indexOf ("MestReNova") >= 0) { +this.ignorePeakTables = true; +}}, "~S"); Clazz_defineMethod (c$, "getValue", function (label) { var value = (this.isTabularDataLabel (label) ? "" : this.t.getValue ()); @@ -28623,8 +28822,8 @@ throw e; } } }if (this.acdMolFile != null) JSV.common.JSVFileManager.cachePut ("mol", this.acdMolFile); -}if (!Float.isNaN (this.nmrMaxY)) spectrum.doNormalize (this.nmrMaxY); - else if (spectrum.getMaxY () >= 10000) spectrum.doNormalize (1000); +}if (!Float.isNaN (this.nmrMaxY)) spectrum.normalizeSimulation (this.nmrMaxY); + else if (spectrum.getMaxY () >= 10000) spectrum.normalizeSimulation (1000); if (this.isSimulation) spectrum.setSimulated (this.filePath); this.nSpec++; if (this.firstSpec > 0 && this.nSpec < this.firstSpec) return true; @@ -28655,7 +28854,7 @@ this.source.isCompoundSource = true; var dataLDRTable; var spectrum = new JSV.common.Spectrum (); dataLDRTable = new JU.Lst (); -this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure); +this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure, false); try { var tmp; while ((tmp = this.t.getLabel ()) != null) { @@ -28664,14 +28863,18 @@ JU.Logger.debug ("##END= " + this.t.getValue ()); break; }label = tmp; if (this.isTabularData) { -this.setTabularDataType (spectrum, label); -if (!this.processTabularData (spectrum, dataLDRTable)) throw new JSV.exception.JSVException ("Unable to read Block Source"); +this.processTabularData (spectrum, dataLDRTable, label, false); continue; -}if (label.equals ("##DATATYPE") && value.toUpperCase ().equals ("LINK")) { +}if (label.equals ("##DATATYPE")) { +if (value.toUpperCase ().equals ("LINK")) { this.getBlockSpectra (dataLDRTable); spectrum = null; label = null; -} else if (label.equals ("##NTUPLES") || label.equals ("##VARNAME")) { +} else if (value.toUpperCase ().startsWith ("NMR PEAK")) { +if (this.ignorePeakTables) { +this.done = true; +return this.source; +}}} else if (label.equals ("##NTUPLES") || label.equals ("##VARNAME")) { this.getNTupleSpectra (dataLDRTable, spectrum, label); spectrum = null; label = ""; @@ -28688,12 +28891,11 @@ if (spectrum.getXYCoords ().length > 0 && !this.addSpectrum (spectrum, forceSub) spectrum = new JSV.common.Spectrum (); dataLDRTable = new JU.Lst (); continue; -}if (this.readDataLabel (spectrum, label, value, this.errorLog, this.obscure)) continue; -JSV.source.JDXReader.addHeader (dataLDRTable, this.t.rawLabel, value); -if (this.checkCustomTags (spectrum, label, value)) continue; +}this.processLabel (spectrum, dataLDRTable, label, value, false); } } catch (e) { if (Clazz_exceptionOf (e, Exception)) { +if (!JSV.common.JSViewer.isJS) e.printStackTrace (); throw new JSV.exception.JSVException (e.getMessage ()); } else { throw e; @@ -28706,14 +28908,14 @@ return this.source; }, "JU.Lst"); Clazz_defineMethod (c$, "addErrorLogSeparator", function () { -if (this.errorLog.length () > 0 && this.errorLog.lastIndexOf ("=====================\n") != this.errorLog.length () - "=====================\n".length) this.errorLog.append ("=====================\n"); +if (this.errorLog.length () > 0 && this.errorLog.lastIndexOf ("=====================\n") != this.errorLog.length () - "=====================\n".length) this.logError ("=====================\n"); }); Clazz_defineMethod (c$, "getNTupleSpectra", function (sourceLDRTable, spectrum0, label) { var minMaxY = Clazz_newDoubleArray (-1, [1.7976931348623157E308, 4.9E-324]); this.blockID = Math.random (); var isOK = true; -if (this.firstSpec > 0) spectrum0.numDim = 1; +if (this.firstSpec > 0) spectrum0.setNumDim (1); var isVARNAME = label.equals ("##VARNAME"); if (!isVARNAME) { label = ""; @@ -28751,7 +28953,7 @@ spectrum.setTitle (spectrum0.getTitle ()); if (!spectrum.is1D ()) { var pt = page.indexOf ('='); if (pt >= 0) try { -spectrum.setY2D (Double.parseDouble (page.substring (pt + 1).trim ())); +spectrum.setY2D (this.parseAFFN (page.substring (0, pt), page.substring (pt + 1).trim ())); var y2dUnits = page.substring (0, pt).trim (); var i = symbols.indexOf (y2dUnits); if (i >= 0) spectrum.setY2DUnits (nTupleTable.get ("##UNITS").get (i)); @@ -28803,115 +29005,111 @@ JU.Logger.info ("NTUPLE MIN/MAX Y = " + minMaxY[0] + " " + minMaxY[1]); return this.source; }, "JU.Lst,JSV.source.JDXDataObject,~S"); Clazz_defineMethod (c$, "readDataLabel", - function (spectrum, label, value, errorLog, obscure) { -if (JSV.source.JDXReader.readHeaderLabel (spectrum, label, value, errorLog, obscure)) return true; + function (spectrum, label, value, errorLog, obscure, isHeaderOnly) { +if (!JSV.source.JDXReader.readHeaderLabel (spectrum, label, value, errorLog, obscure)) return false; label += " "; -if (("##MINX ##MINY ##MAXX ##MAXY ##FIRSTY ##DELTAX ##DATACLASS ").indexOf (label) >= 0) return true; +if (("##MINX ##MINY ##MAXX ##MAXY ##FIRSTY ##DELTAX ##DATACLASS ").indexOf (label) >= 0) return false; switch (("##FIRSTX ##LASTX ##NPOINTS ##XFACTOR ##YFACTOR ##XUNITS ##YUNITS ##XLABEL ##YLABEL ##NUMDIM ##OFFSET ").indexOf (label)) { case 0: -spectrum.fileFirstX = Double.parseDouble (value); -return true; +spectrum.fileFirstX = this.parseAFFN (label, value); +return false; case 10: -spectrum.fileLastX = Double.parseDouble (value); -return true; +spectrum.fileLastX = this.parseAFFN (label, value); +return false; case 20: -spectrum.nPointsFile = Integer.parseInt (value); -return true; +spectrum.fileNPoints = Integer.parseInt (value); +return false; case 30: -spectrum.xFactor = Double.parseDouble (value); -return true; +spectrum.setXFactor (this.parseAFFN (label, value)); +return false; case 40: -spectrum.yFactor = Double.parseDouble (value); -return true; +spectrum.yFactor = this.parseAFFN (label, value); +return false; case 50: spectrum.setXUnits (value); -return true; +return false; case 60: spectrum.setYUnits (value); -return true; +return false; case 70: spectrum.setXLabel (value); -return false; +return true; case 80: spectrum.setYLabel (value); -return false; -case 90: -spectrum.numDim = Integer.parseInt (value); return true; +case 90: +spectrum.setNumDim (Integer.parseInt (value)); +return false; case 100: -if (spectrum.shiftRefType != 0) { -if (spectrum.offset == 1.7976931348623157E308) spectrum.offset = Double.parseDouble (value); -spectrum.dataPointNum = 1; -spectrum.shiftRefType = 1; +if (!spectrum.isShiftTypeSpecified ()) { +spectrum.setShiftReference (this.parseAFFN (label, value), 1, 1); }return false; default: -if (label.length < 17) return false; +if (label.length < 17) return true; if (label.equals ("##.OBSERVEFREQUENCY ")) { -spectrum.observedFreq = Double.parseDouble (value); -return true; +spectrum.setObservedFreq (this.parseAFFN (label, value)); +return false; }if (label.equals ("##.OBSERVENUCLEUS ")) { spectrum.setObservedNucleus (value); -return true; -}if ((label.equals ("##$REFERENCEPOINT ")) && (spectrum.shiftRefType != 0)) { -spectrum.offset = Double.parseDouble (value); -spectrum.dataPointNum = 1; -spectrum.shiftRefType = 2; +return false; +}if (label.equals ("##$REFERENCEPOINT ") && !spectrum.isShiftTypeSpecified ()) { +var pt = value.indexOf (" "); +if (pt > 0) value = value.substring (0, pt); +spectrum.setShiftReference (this.parseAFFN (label, value), 1, 2); return false; }if (label.equals ("##.SHIFTREFERENCE ")) { -if (!(spectrum.dataType.toUpperCase ().contains ("SPECTRUM"))) return true; +if (this.ignoreShiftReference || !(spectrum.dataType.toUpperCase ().contains ("SPECTRUM"))) return false; value = JU.PT.replaceAllCharacters (value, ")(", ""); var srt = new java.util.StringTokenizer (value, ","); -if (srt.countTokens () != 4) return true; +if (srt.countTokens () != 4) return false; try { srt.nextToken (); srt.nextToken (); -spectrum.dataPointNum = Integer.parseInt (srt.nextToken ().trim ()); -spectrum.offset = Double.parseDouble (srt.nextToken ().trim ()); +var pt = Integer.parseInt (srt.nextToken ().trim ()); +var shift = this.parseAFFN (label, srt.nextToken ().trim ()); +spectrum.setShiftReference (shift, pt, 0); } catch (e) { if (Clazz_exceptionOf (e, Exception)) { -return true; } else { throw e; } } -if (spectrum.dataPointNum <= 0) spectrum.dataPointNum = 1; -spectrum.shiftRefType = 0; -return true; -}} return false; -}, "JSV.source.JDXDataObject,~S,~S,JU.SB,~B"); +}return true; +} +}, "JSV.source.JDXDataObject,~S,~S,JU.SB,~B,~B"); c$.readHeaderLabel = Clazz_defineMethod (c$, "readHeaderLabel", function (jdxHeader, label, value, errorLog, obscure) { switch (("##TITLE#####JCAMPDX###ORIGIN####OWNER#####DATATYPE##LONGDATE##DATE######TIME####").indexOf (label + "#")) { case 0: jdxHeader.setTitle (obscure || value == null || value.equals ("") ? "Unknown" : value); -return true; +return false; case 10: jdxHeader.jcampdx = value; var version = JU.PT.parseFloat (value); if (version >= 6.0 || Float.isNaN (version)) { -if (errorLog != null) errorLog.append ("Warning: JCAMP-DX version may not be fully supported: " + value + "\n"); -}return true; +if (errorLog != null) errorLog.append ("Warning: JCAMP-DX version may not be fully supported: " + value); +}return false; case 20: jdxHeader.origin = (value != null && !value.equals ("") ? value : "Unknown"); -return true; +return false; case 30: jdxHeader.owner = (value != null && !value.equals ("") ? value : "Unknown"); -return true; +return false; case 40: jdxHeader.dataType = value; -return true; +return false; case 50: jdxHeader.longDate = value; -return true; +return false; case 60: jdxHeader.date = value; -return true; +return false; case 70: jdxHeader.time = value; -return true; -} return false; +} +return true; }, "JSV.source.JDXHeader,~S,~S,JU.SB,~B"); Clazz_defineMethod (c$, "setTabularDataType", function (spectrum, label) { @@ -28921,12 +29119,13 @@ if (label.equals ("##PEAKASSIGNMENTS")) spectrum.setDataClass ("PEAKASSIGNMENTS" else if (label.equals ("##XYPOINTS")) spectrum.setDataClass ("XYPOINTS"); }, "JSV.source.JDXDataObject,~S"); Clazz_defineMethod (c$, "processTabularData", - function (spec, table) { + function (spec, table, label, isHeaderOnly) { +this.setTabularDataType (spec, label); spec.setHeaderTable (table); if (spec.dataClass.equals ("XYDATA")) { -spec.checkRequiredTokens (); -this.decompressData (spec, null); -return true; +spec.checkJDXRequiredTokens (); +if (!isHeaderOnly) this.decompressData (spec, null); +return; }if (spec.dataClass.equals ("PEAKTABLE") || spec.dataClass.equals ("XYPOINTS")) { spec.setContinuous (spec.dataClass.equals ("XYPOINTS")); try { @@ -28938,32 +29137,36 @@ throw e; } } var xyCoords; -if (spec.xFactor != 1.7976931348623157E308 && spec.yFactor != 1.7976931348623157E308) xyCoords = JSV.common.Coordinate.parseDSV (this.t.getValue (), spec.xFactor, spec.yFactor); - else xyCoords = JSV.common.Coordinate.parseDSV (this.t.getValue (), 1, 1); -spec.setXYCoords (xyCoords); +if (spec.xFactor != 1.7976931348623157E308 && spec.yFactor != 1.7976931348623157E308) { +var data = this.t.getValue (); +xyCoords = JSV.common.Coordinate.parseDSV (data, spec.xFactor, spec.yFactor); +} else { +xyCoords = JSV.common.Coordinate.parseDSV (this.t.getValue (), 1, 1); +}spec.setXYCoords (xyCoords); var fileDeltaX = JSV.common.Coordinate.deltaX (xyCoords[xyCoords.length - 1].getXVal (), xyCoords[0].getXVal (), xyCoords.length); spec.setIncreasing (fileDeltaX > 0); -return true; -}return false; -}, "JSV.source.JDXDataObject,JU.Lst"); +return; +}throw new JSV.exception.JSVException ("Unable to read JDX file tabular data for line " + this.t.labelLineNo); +}, "JSV.source.JDXDataObject,JU.Lst,~S,~B"); Clazz_defineMethod (c$, "readNTUPLECoords", function (spec, nTupleTable, plotSymbols, minMaxY) { var list; +var label; if (spec.dataClass.equals ("XYDATA")) { list = nTupleTable.get ("##SYMBOL"); var index1 = list.indexOf (plotSymbols[0]); var index2 = list.indexOf (plotSymbols[1]); list = nTupleTable.get ("##VARNAME"); -spec.varName = list.get (index2).toUpperCase (); -list = nTupleTable.get ("##FACTOR"); -spec.xFactor = Double.parseDouble (list.get (index1)); -spec.yFactor = Double.parseDouble (list.get (index2)); -list = nTupleTable.get ("##LAST"); -spec.fileLastX = Double.parseDouble (list.get (index1)); -list = nTupleTable.get ("##FIRST"); -spec.fileFirstX = Double.parseDouble (list.get (index1)); +spec.setVarName (list.get (index2).toUpperCase ()); +list = nTupleTable.get (label = "##FACTOR"); +spec.setXFactor (this.parseAFFN (label, list.get (index1))); +spec.setYFactor (this.parseAFFN (label, list.get (index2))); +list = nTupleTable.get (label = "##LAST"); +spec.fileLastX = this.parseAFFN (label, list.get (index1)); +list = nTupleTable.get (label = "##FIRST"); +spec.fileFirstX = this.parseAFFN (label, list.get (index1)); list = nTupleTable.get ("##VARDIM"); -spec.nPointsFile = Integer.parseInt (list.get (index1)); +spec.fileNPoints = Integer.parseInt (list.get (index1)); list = nTupleTable.get ("##UNITS"); spec.setXUnits (list.get (index1)); spec.setYUnits (list.get (index2)); @@ -28986,16 +29189,34 @@ spec.setXYCoords (JSV.common.Coordinate.parseDSV (this.t.getValue (), spec.xFact return true; }return false; }, "JSV.source.JDXDataObject,java.util.Map,~A,~A"); +Clazz_defineMethod (c$, "parseAFFN", + function (label, val) { +var pt = val.indexOf ("E"); +if (pt > 0) { +var len = val.length; +var ch; +switch (len - pt) { +case 2: +case 3: +this.logError ("Warning - " + label + " value " + val + " is not of the format xxxE[+/-]nn or xxxE[+/-]nnn (spec. 4.5.3) -- warning only; accepted"); +break; +case 4: +case 5: +if ((ch = val.charAt (pt + 1)) == '+' || ch == '-') break; +default: +this.logError ("Error - " + label + " value " + val + " is not of the format xxxE[+/-]nn or xxxE[+/-]nnn (spec. 4.5.3) -- " + val.substring (pt) + " ignored!"); +val = val.substring (0, pt); +} +}return Double.parseDouble (val); +}, "~S,~S"); Clazz_defineMethod (c$, "decompressData", function (spec, minMaxY) { var errPt = this.errorLog.length (); -var fileDeltaX = JSV.common.Coordinate.deltaX (spec.fileLastX, spec.fileFirstX, spec.nPointsFile); -spec.setIncreasing (fileDeltaX > 0); +spec.setIncreasing (spec.fileLastX > spec.fileFirstX); spec.setContinuous (true); -var decompressor = new JSV.source.JDXDecompressor (this.t, spec.fileFirstX, spec.xFactor, spec.yFactor, fileDeltaX, spec.nPointsFile); -var firstLastX = Clazz_newDoubleArray (2, 0); +var decompressor = new JSV.source.JDXDecompressor (this.t, spec.fileFirstX, spec.fileLastX, spec.xFactor, spec.yFactor, spec.fileNPoints); var t = System.currentTimeMillis (); -var xyCoords = decompressor.decompressData (this.errorLog, firstLastX); +var xyCoords = decompressor.decompressData (this.errorLog); if (JU.Logger.debugging) JU.Logger.debug ("decompression time = " + (System.currentTimeMillis () - t) + " ms"); spec.setXYCoords (xyCoords); var d = decompressor.getMinY (); @@ -29003,26 +29224,21 @@ if (minMaxY != null) { if (d < minMaxY[0]) minMaxY[0] = d; d = decompressor.getMaxY (); if (d > minMaxY[1]) minMaxY[1] = d; -}var freq = (Double.isNaN (spec.freq2dX) ? spec.observedFreq : spec.freq2dX); -if (spec.offset != 1.7976931348623157E308 && freq != 1.7976931348623157E308 && spec.dataType.toUpperCase ().contains ("SPECTRUM")) { -JSV.common.Coordinate.applyShiftReference (xyCoords, spec.dataPointNum, spec.fileFirstX, spec.fileLastX, spec.offset, freq, spec.shiftRefType); -}if (freq != 1.7976931348623157E308 && spec.getXUnits ().toUpperCase ().equals ("HZ")) { -JSV.common.Coordinate.applyScale (xyCoords, (1.0 / freq), 1); -spec.setXUnits ("PPM"); -spec.setHZtoPPM (true); -}if (this.errorLog.length () != errPt) { -this.errorLog.append (spec.getTitle ()).append ("\n"); -this.errorLog.append ("firstX: " + spec.fileFirstX + " Found " + firstLastX[0] + "\n"); -this.errorLog.append ("lastX from Header " + spec.fileLastX + " Found " + firstLastX[1] + "\n"); -this.errorLog.append ("deltaX from Header " + fileDeltaX + "\n"); -this.errorLog.append ("Number of points in Header " + spec.nPointsFile + " Found " + xyCoords.length + "\n"); +}spec.finalizeCoordinates (); +if (this.errorLog.length () != errPt) { +var fileDeltaX = JSV.common.Coordinate.deltaX (spec.fileLastX, spec.fileFirstX, spec.fileNPoints); +this.logError (spec.getTitle ()); +this.logError ("firstX from Header " + spec.fileFirstX); +this.logError ("lastX from Header " + spec.fileLastX + " Found " + decompressor.lastX); +this.logError ("deltaX from Header " + fileDeltaX); +this.logError ("Number of points in Header " + spec.fileNPoints + " Found " + decompressor.getNPointsFound ()); } else { }if (JU.Logger.debugging) { System.err.println (this.errorLog.toString ()); }}, "JSV.source.JDXDataObject,~A"); c$.addHeader = Clazz_defineMethod (c$, "addHeader", function (table, label, value) { -var entry; +var entry = null; for (var i = 0; i < table.size (); i++) if ((entry = table.get (i))[0].equals (label)) { entry[1] = value; return; @@ -29055,7 +29271,7 @@ break; case 40: case 50: case 60: -this.acdAssignments = this.mpr.readACDAssignments (spectrum.nPointsFile, pt == 40); +this.acdAssignments = this.mpr.readACDAssignments ((spectrum).fileNPoints, pt == 40); break; } } catch (e) { @@ -29078,9 +29294,9 @@ function () { return this.reader.readLine (); }); Clazz_overrideMethod (c$, "setSpectrumPeaks", -function (nH, piUnitsX, piUnitsY) { -this.modelSpectrum.setPeakList (this.peakData, piUnitsX, piUnitsY); -if (this.modelSpectrum.isNMR ()) this.modelSpectrum.setNHydrogens (nH); +function (nH, peakXLabel, peakYlabel) { +this.modelSpectrum.setPeakList (this.peakData, peakXLabel, peakYlabel); +if (this.modelSpectrum.isNMR ()) this.modelSpectrum.setHydrogenCount (nH); }, "~N,~S,~S"); Clazz_overrideMethod (c$, "addPeakData", function (info) { @@ -29228,6 +29444,7 @@ this.value = null; this.labelLineNo = 0; this.line = null; this.lineNo = 0; +this.rawLine = null; Clazz_instantialize (this, arguments); }, JSV.source, "JDXSourceStreamTokenizer"); Clazz_makeConstructor (c$, @@ -29264,6 +29481,7 @@ throw e; if (this.line.startsWith ("##")) break; this.line = null; } +this.rawLine = this.line; var pt = this.line.indexOf ("="); if (pt < 0) { if (isGet) JU.Logger.info ("BAD JDX LINE -- no '=' (line " + this.lineNo + "): " + this.line); diff --git a/qmpy/web/static/js/jsmol/j2s/core/corejsv.z.js b/qmpy/web/static/js/jsmol/j2s/core/corejsv.z.js index 04687b7d..e2b59f3b 100644 --- a/qmpy/web/static/js/jsmol/j2s/core/corejsv.z.js +++ b/qmpy/web/static/js/jsmol/j2s/core/corejsv.z.js @@ -1,730 +1,730 @@ -(function(Y,ma,Z,R,x,S,s,v,t,m,k,G,Ba,n,q,y,E,D,P,u,F,z,H,C,B,A,na,I,K,N,w,U,Ca,M,T,da,V,$,L,O,ea,Da,oa,pa,fa,ga,qa,ra,sa,ta,ua,va,ha,wa,xa,ia,ya,za,c,e,W){Jmol.___JmolDate="$Date: 2020-05-27 14:50:46 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4294967264,4278255360,4281519410,4294635750,4294902015,4286578688,4284927402,4278190285,4290401747,4287852763,4282168177,4286277870,4278254234,4282962380,4291237253,4279834992,4294311930,4294960353,4294960309,4294958765,4278190208,4294833638,4286611456,4285238819,4294944E3,4294919424,4292505814,4293847210,4288215960,4289720046,4292571283,4294963157,4294957753,4291659071,4294951115,4292714717,4289781990,4286578816,4294901760,4290547599,4282477025,4287317267,4294606962,4294222944,4281240407,4294964718, 4288696877,4290822336,4287090411,4285160141,4285563024,4294966010,4278255487,4282811060,4291998860,4278222976,4292394968,4294927175,4282441936,4293821166,4294303411,4294967295,4294309365,4294967040,4288335154,4289714175,4281240407,4288217011,4286611584,4286611584,4294945723,4294919424,4294375029]));c$.mapJavaScriptColors=c$.prototype.mapJavaScriptColors=new java.util.Hashtable;for(var a=JU.CU.colorNames.length;0<=--a;)JU.CU.mapJavaScriptColors.put(JU.CU.colorNames[a],Integer.$valueOf(JU.CU.colorArgbs[a]))}); -s("JU");t(["java.lang.Boolean"],"JU.DF",["java.lang.Double","$.Float","JU.PT","$.SB"],function(){c$=u(JU,"DF");c$.setUseNumberLocalization=c(c$,"setUseNumberLocalization",function(a){JU.DF.useNumberLocalization[0]=a?Boolean.TRUE:Boolean.FALSE},"~B");c$.formatDecimalDbl=c(c$,"formatDecimalDbl",function(a,b){return 2147483647==b||-Infinity==a||Infinity==a||Double.isNaN(a)?""+a:JU.DF.formatDecimal(a,b)},"~N,~N");c$.formatDecimal=c(c$,"formatDecimal",function(a,b){if(2147483647==b||-Infinity==a||Infinity== -a||Float.isNaN(a))return""+a;var d;if(0>b){b=-b;b>JU.DF.formattingStrings.length&&(b=JU.DF.formattingStrings.length);if(0==a)return JU.DF.formattingStrings[b-1]+"E+0";var c;1>Math.abs(a)?(d=10,c=1E-10*a):(d=-10,c=1E10*a);c=(""+c).toUpperCase();var f=c.indexOf("E");d=JU.PT.parseInt(c.substring(f+1))+d;if(0>f)c=""+a;else{c=JU.PT.parseFloat(c.substring(0,f));if(10==c||-10==c)c/=10,d+=0>d?1:-1;c=JU.DF.formatDecimal(c,b-1)}return c+"E"+(0<=d?"+":"")+d}b>=JU.DF.formattingStrings.length&&(b=JU.DF.formattingStrings.length- -1);c=(""+a).toUpperCase();d=c.indexOf(".");if(0>d)return c+JU.DF.formattingStrings[b].substring(1);var h=c.startsWith("-");h&&(c=c.substring(1),d--);f=c.indexOf("E-");0Math.abs(this.determinant3()-1)})});s("JU");t(["JU.M34"],"JU.M4",["JU.T3"],function(){c$=k(function(){this.m33=this.m32=this.m31=this.m30=this.m23=this.m13=this.m03=0;m(this,arguments)},JU,"M4",JU.M34);c$.newA16=c(c$,"newA16",function(a){var b=new JU.M4;b.m00=a[0];b.m01= -a[1];b.m02=a[2];b.m03=a[3];b.m10=a[4];b.m11=a[5];b.m12=a[6];b.m13=a[7];b.m20=a[8];b.m21=a[9];b.m22=a[10];b.m23=a[11];b.m30=a[12];b.m31=a[13];b.m32=a[14];b.m33=a[15];return b},"~A");c$.newM4=c(c$,"newM4",function(a){var b=new JU.M4;if(null==a)return b.setIdentity(),b;b.setToM3(a);b.m03=a.m03;b.m13=a.m13;b.m23=a.m23;b.m30=a.m30;b.m31=a.m31;b.m32=a.m32;b.m33=a.m33;return b},"JU.M4");c$.newMV=c(c$,"newMV",function(a,b){var d=new JU.M4;d.setMV(a,b);return d},"JU.M3,JU.T3");c(c$,"setZero",function(){this.clear33(); -this.m03=this.m13=this.m23=this.m30=this.m31=this.m32=this.m33=0});c(c$,"setIdentity",function(){this.setZero();this.m00=this.m11=this.m22=this.m33=1});c(c$,"setM4",function(a){this.setM33(a);this.m03=a.m03;this.m13=a.m13;this.m23=a.m23;this.m30=a.m30;this.m31=a.m31;this.m32=a.m32;this.m33=a.m33;return this},"JU.M4");c(c$,"setMV",function(a,b){this.setM33(a);this.setTranslation(b);this.m33=1},"JU.M3,JU.T3");c(c$,"setToM3",function(a){this.setM33(a);this.m03=this.m13=this.m23=this.m30=this.m31=this.m32= -0;this.m33=1},"JU.M34");c(c$,"setToAA",function(a){this.setIdentity();this.setAA33(a)},"JU.A4");c(c$,"setA",function(a){this.m00=a[0];this.m01=a[1];this.m02=a[2];this.m03=a[3];this.m10=a[4];this.m11=a[5];this.m12=a[6];this.m13=a[7];this.m20=a[8];this.m21=a[9];this.m22=a[10];this.m23=a[11];this.m30=a[12];this.m31=a[13];this.m32=a[14];this.m33=a[15]},"~A");c(c$,"setTranslation",function(a){this.m03=a.x;this.m13=a.y;this.m23=a.z},"JU.T3");c(c$,"setElement",function(a,b,d){if(3>a&&3>b)this.set33(a,b, -d);else{(3a&&3>b)return this.get33(a,b);if(3a&&this.setRow33(a, -b);switch(a){case 0:this.m03=b[3];return;case 1:this.m13=b[3];return;case 2:this.m23=b[3];return;case 3:this.m30=b[0];this.m31=b[1];this.m32=b[2];this.m33=b[3];return}this.err()},"~N,~A");e(c$,"getRow",function(a,b){3>a&&this.getRow33(a,b);switch(a){case 0:b[3]=this.m03;return;case 1:b[3]=this.m13;return;case 2:b[3]=this.m23;return;case 3:b[0]=this.m30;b[1]=this.m31;b[2]=this.m32;b[3]=this.m33;return}this.err()},"~N,~A");c(c$,"setColumn4",function(a,b,d,c,f){0==a?(this.m00=b,this.m10=d,this.m20=c, -this.m30=f):1==a?(this.m01=b,this.m11=d,this.m21=c,this.m31=f):2==a?(this.m02=b,this.m12=d,this.m22=c,this.m32=f):3==a?(this.m03=b,this.m13=d,this.m23=c,this.m33=f):this.err()},"~N,~N,~N,~N,~N");c(c$,"setColumnA",function(a,b){3>a&&this.setColumn33(a,b);switch(a){case 0:this.m30=b[3];break;case 1:this.m31=b[3];break;case 2:this.m32=b[3];break;case 3:this.m03=b[0];this.m13=b[1];this.m23=b[2];this.m33=b[3];break;default:this.err()}},"~N,~A");c(c$,"getColumn",function(a,b){3>a&&this.getColumn33(a,b); -switch(a){case 0:b[3]=this.m30;break;case 1:b[3]=this.m31;break;case 2:b[3]=this.m32;break;case 3:b[0]=this.m03;b[1]=this.m13;b[2]=this.m23;b[3]=this.m33;break;default:this.err()}},"~N,~A");c(c$,"sub",function(a){this.sub33(a);this.m03-=a.m03;this.m13-=a.m13;this.m23-=a.m23;this.m30-=a.m30;this.m31-=a.m31;this.m32-=a.m32;this.m33-=a.m33},"JU.M4");c(c$,"transpose",function(){this.transpose33();var a=this.m03;this.m03=this.m30;this.m30=a;a=this.m13;this.m13=this.m31;this.m31=a;a=this.m23;this.m23=this.m32; -this.m32=a});c(c$,"invert",function(){var a=this.determinant4();if(0==a)return this;a=1/a;this.set(this.m11*(this.m22*this.m33-this.m23*this.m32)+this.m12*(this.m23*this.m31-this.m21*this.m33)+this.m13*(this.m21*this.m32-this.m22*this.m31),this.m21*(this.m02*this.m33-this.m03*this.m32)+this.m22*(this.m03*this.m31-this.m01*this.m33)+this.m23*(this.m01*this.m32-this.m02*this.m31),this.m31*(this.m02*this.m13-this.m03*this.m12)+this.m32*(this.m03*this.m11-this.m01*this.m13)+this.m33*(this.m01*this.m12- -this.m02*this.m11),this.m01*(this.m13*this.m22-this.m12*this.m23)+this.m02*(this.m11*this.m23-this.m13*this.m21)+this.m03*(this.m12*this.m21-this.m11*this.m22),this.m12*(this.m20*this.m33-this.m23*this.m30)+this.m13*(this.m22*this.m30-this.m20*this.m32)+this.m10*(this.m23*this.m32-this.m22*this.m33),this.m22*(this.m00*this.m33-this.m03*this.m30)+this.m23*(this.m02*this.m30-this.m00*this.m32)+this.m20*(this.m03*this.m32-this.m02*this.m33),this.m32*(this.m00*this.m13-this.m03*this.m10)+this.m33*(this.m02* -this.m10-this.m00*this.m12)+this.m30*(this.m03*this.m12-this.m02*this.m13),this.m02*(this.m13*this.m20-this.m10*this.m23)+this.m03*(this.m10*this.m22-this.m12*this.m20)+this.m00*(this.m12*this.m23-this.m13*this.m22),this.m13*(this.m20*this.m31-this.m21*this.m30)+this.m10*(this.m21*this.m33-this.m23*this.m31)+this.m11*(this.m23*this.m30-this.m20*this.m33),this.m23*(this.m00*this.m31-this.m01*this.m30)+this.m20*(this.m01*this.m33-this.m03*this.m31)+this.m21*(this.m03*this.m30-this.m00*this.m33),this.m33* -(this.m00*this.m11-this.m01*this.m10)+this.m30*(this.m01*this.m13-this.m03*this.m11)+this.m31*(this.m03*this.m10-this.m00*this.m13),this.m03*(this.m11*this.m20-this.m10*this.m21)+this.m00*(this.m13*this.m21-this.m11*this.m23)+this.m01*(this.m10*this.m23-this.m13*this.m20),this.m10*(this.m22*this.m31-this.m21*this.m32)+this.m11*(this.m20*this.m32-this.m22*this.m30)+this.m12*(this.m21*this.m30-this.m20*this.m31),this.m20*(this.m02*this.m31-this.m01*this.m32)+this.m21*(this.m00*this.m32-this.m02*this.m30)+ -this.m22*(this.m01*this.m30-this.m00*this.m31),this.m30*(this.m02*this.m11-this.m01*this.m12)+this.m31*(this.m00*this.m12-this.m02*this.m10)+this.m32*(this.m01*this.m10-this.m00*this.m11),this.m00*(this.m11*this.m22-this.m12*this.m21)+this.m01*(this.m12*this.m20-this.m10*this.m22)+this.m02*(this.m10*this.m21-this.m11*this.m20));this.scale(a);return this});c(c$,"set",function(a,b,d,c,f,h,e,j,l,p,n,q,m,k,s,t){this.m00=a;this.m01=b;this.m02=d;this.m03=c;this.m10=f;this.m11=h;this.m12=e;this.m13=j;this.m20= -l;this.m21=p;this.m22=n;this.m23=q;this.m30=m;this.m31=k;this.m32=s;this.m33=t},"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"determinant4",function(){return(this.m00*this.m11-this.m01*this.m10)*(this.m22*this.m33-this.m23*this.m32)-(this.m00*this.m12-this.m02*this.m10)*(this.m21*this.m33-this.m23*this.m31)+(this.m00*this.m13-this.m03*this.m10)*(this.m21*this.m32-this.m22*this.m31)+(this.m01*this.m12-this.m02*this.m11)*(this.m20*this.m33-this.m23*this.m30)-(this.m01*this.m13-this.m03*this.m11)* -(this.m20*this.m32-this.m22*this.m30)+(this.m02*this.m13-this.m03*this.m12)*(this.m20*this.m31-this.m21*this.m30)});c(c$,"scale",function(a){this.mul33(a);this.m03*=a;this.m13*=a;this.m23*=a;this.m30*=a;this.m31*=a;this.m32*=a;this.m33*=a},"~N");c(c$,"mul",function(a){this.mul2(this,a)},"JU.M4");c(c$,"mul2",function(a,b){this.set(a.m00*b.m00+a.m01*b.m10+a.m02*b.m20+a.m03*b.m30,a.m00*b.m01+a.m01*b.m11+a.m02*b.m21+a.m03*b.m31,a.m00*b.m02+a.m01*b.m12+a.m02*b.m22+a.m03*b.m32,a.m00*b.m03+a.m01*b.m13+a.m02* -b.m23+a.m03*b.m33,a.m10*b.m00+a.m11*b.m10+a.m12*b.m20+a.m13*b.m30,a.m10*b.m01+a.m11*b.m11+a.m12*b.m21+a.m13*b.m31,a.m10*b.m02+a.m11*b.m12+a.m12*b.m22+a.m13*b.m32,a.m10*b.m03+a.m11*b.m13+a.m12*b.m23+a.m13*b.m33,a.m20*b.m00+a.m21*b.m10+a.m22*b.m20+a.m23*b.m30,a.m20*b.m01+a.m21*b.m11+a.m22*b.m21+a.m23*b.m31,a.m20*b.m02+a.m21*b.m12+a.m22*b.m22+a.m23*b.m32,a.m20*b.m03+a.m21*b.m13+a.m22*b.m23+a.m23*b.m33,a.m30*b.m00+a.m31*b.m10+a.m32*b.m20+a.m33*b.m30,a.m30*b.m01+a.m31*b.m11+a.m32*b.m21+a.m33*b.m31,a.m30* -b.m02+a.m31*b.m12+a.m32*b.m22+a.m33*b.m32,a.m30*b.m03+a.m31*b.m13+a.m32*b.m23+a.m33*b.m33)},"JU.M4,JU.M4");c(c$,"transform",function(a){this.transform2(a,a)},"JU.T4");c(c$,"transform2",function(a,b){b.set4(this.m00*a.x+this.m01*a.y+this.m02*a.z+this.m03*a.w,this.m10*a.x+this.m11*a.y+this.m12*a.z+this.m13*a.w,this.m20*a.x+this.m21*a.y+this.m22*a.z+this.m23*a.w,this.m30*a.x+this.m31*a.y+this.m32*a.z+this.m33*a.w)},"JU.T4,JU.T4");c(c$,"rotTrans",function(a){this.rotTrans2(a,a)},"JU.T3");c(c$,"rotTrans2", -function(a,b){b.set(this.m00*a.x+this.m01*a.y+this.m02*a.z+this.m03,this.m10*a.x+this.m11*a.y+this.m12*a.z+this.m13,this.m20*a.x+this.m21*a.y+this.m22*a.z+this.m23);return b},"JU.T3,JU.T3");c(c$,"setAsXYRotation",function(a){this.setIdentity();var b=Math.cos(a);a=Math.sin(a);this.m22=b;this.m23=-a;this.m32=a;this.m33=b;return this},"~N");c(c$,"setAsYZRotation",function(a){this.setIdentity();var b=Math.cos(a);a=Math.sin(a);this.m00=b;this.m03=-a;this.m30=a;this.m33=b;return this},"~N");c(c$,"setAsXZRotation", -function(a){this.setIdentity();var b=Math.cos(a);a=Math.sin(a);this.m11=b;this.m13=-a;this.m31=a;this.m33=b;return this},"~N");e(c$,"equals",function(a){return!v(a,JU.M4)?!1:this.m00==a.m00&&this.m01==a.m01&&this.m02==a.m02&&this.m03==a.m03&&this.m10==a.m10&&this.m11==a.m11&&this.m12==a.m12&&this.m13==a.m13&&this.m20==a.m20&&this.m21==a.m21&&this.m22==a.m22&&this.m23==a.m23&&this.m30==a.m30&&this.m31==a.m31&&this.m32==a.m32&&this.m33==a.m33},"~O");e(c$,"hashCode",function(){return JU.T3.floatToIntBits(this.m00)^ -JU.T3.floatToIntBits(this.m01)^JU.T3.floatToIntBits(this.m02)^JU.T3.floatToIntBits(this.m03)^JU.T3.floatToIntBits(this.m10)^JU.T3.floatToIntBits(this.m11)^JU.T3.floatToIntBits(this.m12)^JU.T3.floatToIntBits(this.m13)^JU.T3.floatToIntBits(this.m20)^JU.T3.floatToIntBits(this.m21)^JU.T3.floatToIntBits(this.m22)^JU.T3.floatToIntBits(this.m23)^JU.T3.floatToIntBits(this.m30)^JU.T3.floatToIntBits(this.m31)^JU.T3.floatToIntBits(this.m32)^JU.T3.floatToIntBits(this.m33)});e(c$,"toString",function(){return"[\n ["+ -this.m00+"\t"+this.m01+"\t"+this.m02+"\t"+this.m03+"]\n ["+this.m10+"\t"+this.m11+"\t"+this.m12+"\t"+this.m13+"]\n ["+this.m20+"\t"+this.m21+"\t"+this.m22+"\t"+this.m23+"]\n ["+this.m30+"\t"+this.m31+"\t"+this.m32+"\t"+this.m33+"] 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a=this.m01;this.m01=this.m10;this.m10=a;a=this.m02;this.m02=this.m20;this.m20=a;a=this.m12;this.m12=this.m21;this.m21=a});c(c$,"setXRot",function(a){var b=Math.cos(a);a=Math.sin(a);this.m00=1;this.m10=this.m02= +this.m01=0;this.m11=b;this.m12=-a;this.m20=0;this.m21=a;this.m22=b},"~N");c(c$,"setYRot",function(a){var b=Math.cos(a);a=Math.sin(a);this.m00=b;this.m01=0;this.m02=a;this.m10=0;this.m11=1;this.m12=0;this.m20=-a;this.m21=0;this.m22=b},"~N");c(c$,"setZRot",function(a){var b=Math.cos(a);a=Math.sin(a);this.m00=b;this.m01=-a;this.m02=0;this.m10=a;this.m11=b;this.m21=this.m20=this.m12=0;this.m22=1},"~N");c(c$,"determinant3",function(){return this.m00*(this.m11*this.m22-this.m21*this.m12)-this.m01*(this.m10* +this.m22-this.m20*this.m12)+this.m02*(this.m10*this.m21-this.m20*this.m11)});c(c$,"err",function(){throw new ArrayIndexOutOfBoundsException("matrix column/row out of bounds");})});r("JU");s(["JU.M34"],"JU.M3",["JU.T3"],function(){c$=t(JU,"M3",JU.M34,java.io.Serializable);c$.newA9=c(c$,"newA9",function(a){var b=new JU.M3;b.setA(a);return b},"~A");c$.newM3=c(c$,"newM3",function(a){var b=new JU.M3;if(null==a)return b.setScale(1),b;b.m00=a.m00;b.m01=a.m01;b.m02=a.m02;b.m10=a.m10;b.m11=a.m11;b.m12=a.m12; +b.m20=a.m20;b.m21=a.m21;b.m22=a.m22;return b},"JU.M3");c(c$,"setScale",function(a){this.clear33();this.m00=this.m11=this.m22=a},"~N");c(c$,"setM3",function(a){this.setM33(a)},"JU.M34");c(c$,"setA",function(a){this.m00=a[0];this.m01=a[1];this.m02=a[2];this.m10=a[3];this.m11=a[4];this.m12=a[5];this.m20=a[6];this.m21=a[7];this.m22=a[8]},"~A");c(c$,"setElement",function(a,b,d){this.set33(a,b,d)},"~N,~N,~N");c(c$,"getElement",function(a,b){return this.get33(a,b)},"~N,~N");c(c$,"setRow",function(a,b,d, +c){switch(a){case 0:this.m00=b;this.m01=d;this.m02=c;break;case 1:this.m10=b;this.m11=d;this.m12=c;break;case 2:this.m20=b;this.m21=d;this.m22=c;break;default:this.err()}},"~N,~N,~N,~N");c(c$,"setRowV",function(a,b){switch(a){case 0:this.m00=b.x;this.m01=b.y;this.m02=b.z;break;case 1:this.m10=b.x;this.m11=b.y;this.m12=b.z;break;case 2:this.m20=b.x;this.m21=b.y;this.m22=b.z;break;default:this.err()}},"~N,JU.T3");c(c$,"setRowA",function(a,b){this.setRow33(a,b)},"~N,~A");e(c$,"getRow",function(a,b){this.getRow33(a, +b)},"~N,~A");c(c$,"setColumn3",function(a,b,d,c){switch(a){case 0:this.m00=b;this.m10=d;this.m20=c;break;case 1:this.m01=b;this.m11=d;this.m21=c;break;case 2:this.m02=b;this.m12=d;this.m22=c;break;default:this.err()}},"~N,~N,~N,~N");c(c$,"setColumnV",function(a,b){switch(a){case 0:this.m00=b.x;this.m10=b.y;this.m20=b.z;break;case 1:this.m01=b.x;this.m11=b.y;this.m21=b.z;break;case 2:this.m02=b.x;this.m12=b.y;this.m22=b.z;break;default:this.err()}},"~N,JU.T3");c(c$,"getColumnV",function(a,b){switch(a){case 0:b.x= +this.m00;b.y=this.m10;b.z=this.m20;break;case 1:b.x=this.m01;b.y=this.m11;b.z=this.m21;break;case 2:b.x=this.m02;b.y=this.m12;b.z=this.m22;break;default:this.err()}},"~N,JU.T3");c(c$,"setColumnA",function(a,b){this.setColumn33(a,b)},"~N,~A");c(c$,"getColumn",function(a,b){this.getColumn33(a,b)},"~N,~A");c(c$,"add",function(a){this.add33(a)},"JU.M3");c(c$,"sub",function(a){this.sub33(a)},"JU.M3");c(c$,"transpose",function(){this.transpose33()});c(c$,"transposeM",function(a){this.setM33(a);this.transpose33()}, +"JU.M3");c(c$,"invertM",function(a){this.setM33(a);this.invert()},"JU.M3");c(c$,"invert",function(){var a=this.determinant3();0!=a&&(a=1/a,this.set9(this.m11*this.m22-this.m12*this.m21,this.m02*this.m21-this.m01*this.m22,this.m01*this.m12-this.m02*this.m11,this.m12*this.m20-this.m10*this.m22,this.m00*this.m22-this.m02*this.m20,this.m02*this.m10-this.m00*this.m12,this.m10*this.m21-this.m11*this.m20,this.m01*this.m20-this.m00*this.m21,this.m00*this.m11-this.m01*this.m10),this.scale(a))});c(c$,"setAsXRotation", +function(a){this.setXRot(a);return this},"~N");c(c$,"setAsYRotation",function(a){this.setYRot(a);return this},"~N");c(c$,"setAsZRotation",function(a){this.setZRot(a);return this},"~N");c(c$,"scale",function(a){this.mul33(a)},"~N");c(c$,"mul",function(a){this.mul2(this,a)},"JU.M3");c(c$,"mul2",function(a,b){this.set9(a.m00*b.m00+a.m01*b.m10+a.m02*b.m20,a.m00*b.m01+a.m01*b.m11+a.m02*b.m21,a.m00*b.m02+a.m01*b.m12+a.m02*b.m22,a.m10*b.m00+a.m11*b.m10+a.m12*b.m20,a.m10*b.m01+a.m11*b.m11+a.m12*b.m21,a.m10* +b.m02+a.m11*b.m12+a.m12*b.m22,a.m20*b.m00+a.m21*b.m10+a.m22*b.m20,a.m20*b.m01+a.m21*b.m11+a.m22*b.m21,a.m20*b.m02+a.m21*b.m12+a.m22*b.m22)},"JU.M3,JU.M3");e(c$,"equals",function(a){return!w(a,JU.M3)?!1:this.m00==a.m00&&this.m01==a.m01&&this.m02==a.m02&&this.m10==a.m10&&this.m11==a.m11&&this.m12==a.m12&&this.m20==a.m20&&this.m21==a.m21&&this.m22==a.m22},"~O");e(c$,"hashCode",function(){return JU.T3.floatToIntBits(this.m00)^JU.T3.floatToIntBits(this.m01)^JU.T3.floatToIntBits(this.m02)^JU.T3.floatToIntBits(this.m10)^ +JU.T3.floatToIntBits(this.m11)^JU.T3.floatToIntBits(this.m12)^JU.T3.floatToIntBits(this.m20)^JU.T3.floatToIntBits(this.m21)^JU.T3.floatToIntBits(this.m22)});c(c$,"setZero",function(){this.clear33()});c(c$,"set9",function(a,b,d,c,f,g,e,j,l){this.m00=a;this.m01=b;this.m02=d;this.m10=c;this.m11=f;this.m12=g;this.m20=e;this.m21=j;this.m22=l},"~N,~N,~N,~N,~N,~N,~N,~N,~N");e(c$,"toString",function(){return"[\n ["+this.m00+"\t"+this.m01+"\t"+this.m02+"]\n ["+this.m10+"\t"+this.m11+"\t"+this.m12+"]\n ["+ +this.m20+"\t"+this.m21+"\t"+this.m22+"] ]"});c(c$,"setAA",function(a){this.setAA33(a);return this},"JU.A4");c(c$,"setAsBallRotation",function(a,b,d){var c=Math.sqrt(b*b+d*d),f=c*a;if(0==f)return this.setScale(1),!1;a=Math.cos(f);f=Math.sin(f);d=-d/c;b/=c;c=a-1;this.m00=1+c*d*d;this.m01=this.m10=c*d*b;this.m20=-(this.m02=f*d);this.m11=1+c*b*b;this.m21=-(this.m12=f*b);this.m22=a;return!0},"~N,~N,~N");c(c$,"isRotation",function(){return 0.001>Math.abs(this.determinant3()-1)})});r("JU");s(["JU.M34"], +"JU.M4",["JU.T3"],function(){c$=k(function(){this.m33=this.m32=this.m31=this.m30=this.m23=this.m13=this.m03=0;n(this,arguments)},JU,"M4",JU.M34);c$.newA16=c(c$,"newA16",function(a){var b=new JU.M4;b.m00=a[0];b.m01=a[1];b.m02=a[2];b.m03=a[3];b.m10=a[4];b.m11=a[5];b.m12=a[6];b.m13=a[7];b.m20=a[8];b.m21=a[9];b.m22=a[10];b.m23=a[11];b.m30=a[12];b.m31=a[13];b.m32=a[14];b.m33=a[15];return b},"~A");c$.newM4=c(c$,"newM4",function(a){var b=new JU.M4;if(null==a)return b.setIdentity(),b;b.setToM3(a);b.m03=a.m03; +b.m13=a.m13;b.m23=a.m23;b.m30=a.m30;b.m31=a.m31;b.m32=a.m32;b.m33=a.m33;return b},"JU.M4");c$.newMV=c(c$,"newMV",function(a,b){var d=new JU.M4;d.setMV(a,b);return d},"JU.M3,JU.T3");c(c$,"setZero",function(){this.clear33();this.m03=this.m13=this.m23=this.m30=this.m31=this.m32=this.m33=0});c(c$,"setIdentity",function(){this.setZero();this.m00=this.m11=this.m22=this.m33=1});c(c$,"setM4",function(a){this.setM33(a);this.m03=a.m03;this.m13=a.m13;this.m23=a.m23;this.m30=a.m30;this.m31=a.m31;this.m32=a.m32; +this.m33=a.m33;return this},"JU.M4");c(c$,"setMV",function(a,b){this.setM33(a);this.setTranslation(b);this.m33=1},"JU.M3,JU.T3");c(c$,"setToM3",function(a){this.setM33(a);this.m03=this.m13=this.m23=this.m30=this.m31=this.m32=0;this.m33=1},"JU.M34");c(c$,"setToAA",function(a){this.setIdentity();this.setAA33(a)},"JU.A4");c(c$,"setA",function(a){this.m00=a[0];this.m01=a[1];this.m02=a[2];this.m03=a[3];this.m10=a[4];this.m11=a[5];this.m12=a[6];this.m13=a[7];this.m20=a[8];this.m21=a[9];this.m22=a[10];this.m23= +a[11];this.m30=a[12];this.m31=a[13];this.m32=a[14];this.m33=a[15]},"~A");c(c$,"setTranslation",function(a){this.m03=a.x;this.m13=a.y;this.m23=a.z},"JU.T3");c(c$,"setElement",function(a,b,d){if(3>a&&3>b)this.set33(a,b,d);else{(3a&&3>b)return this.get33(a, +b);if(3a&&this.setRow33(a,b);switch(a){case 0:this.m03=b[3];return;case 1:this.m13=b[3];return;case 2:this.m23=b[3];return;case 3:this.m30=b[0];this.m31=b[1];this.m32=b[2];this.m33=b[3];return}this.err()},"~N,~A");e(c$,"getRow",function(a,b){3>a&&this.getRow33(a,b);switch(a){case 0:b[3]=this.m03; +return;case 1:b[3]=this.m13;return;case 2:b[3]=this.m23;return;case 3:b[0]=this.m30;b[1]=this.m31;b[2]=this.m32;b[3]=this.m33;return}this.err()},"~N,~A");c(c$,"setColumn4",function(a,b,d,c,f){0==a?(this.m00=b,this.m10=d,this.m20=c,this.m30=f):1==a?(this.m01=b,this.m11=d,this.m21=c,this.m31=f):2==a?(this.m02=b,this.m12=d,this.m22=c,this.m32=f):3==a?(this.m03=b,this.m13=d,this.m23=c,this.m33=f):this.err()},"~N,~N,~N,~N,~N");c(c$,"setColumnA",function(a,b){3>a&&this.setColumn33(a,b);switch(a){case 0:this.m30= +b[3];break;case 1:this.m31=b[3];break;case 2:this.m32=b[3];break;case 3:this.m03=b[0];this.m13=b[1];this.m23=b[2];this.m33=b[3];break;default:this.err()}},"~N,~A");c(c$,"getColumn",function(a,b){3>a&&this.getColumn33(a,b);switch(a){case 0:b[3]=this.m30;break;case 1:b[3]=this.m31;break;case 2:b[3]=this.m32;break;case 3:b[0]=this.m03;b[1]=this.m13;b[2]=this.m23;b[3]=this.m33;break;default:this.err()}},"~N,~A");c(c$,"sub",function(a){this.sub33(a);this.m03-=a.m03;this.m13-=a.m13;this.m23-=a.m23;this.m30-= +a.m30;this.m31-=a.m31;this.m32-=a.m32;this.m33-=a.m33},"JU.M4");c(c$,"add",function(a){this.m03+=a.x;this.m13+=a.y;this.m23+=a.z},"JU.T3");c(c$,"transpose",function(){this.transpose33();var a=this.m03;this.m03=this.m30;this.m30=a;a=this.m13;this.m13=this.m31;this.m31=a;a=this.m23;this.m23=this.m32;this.m32=a});c(c$,"invert",function(){var a=this.determinant4();if(0==a)return this;a=1/a;this.set(this.m11*(this.m22*this.m33-this.m23*this.m32)+this.m12*(this.m23*this.m31-this.m21*this.m33)+this.m13* +(this.m21*this.m32-this.m22*this.m31),this.m21*(this.m02*this.m33-this.m03*this.m32)+this.m22*(this.m03*this.m31-this.m01*this.m33)+this.m23*(this.m01*this.m32-this.m02*this.m31),this.m31*(this.m02*this.m13-this.m03*this.m12)+this.m32*(this.m03*this.m11-this.m01*this.m13)+this.m33*(this.m01*this.m12-this.m02*this.m11),this.m01*(this.m13*this.m22-this.m12*this.m23)+this.m02*(this.m11*this.m23-this.m13*this.m21)+this.m03*(this.m12*this.m21-this.m11*this.m22),this.m12*(this.m20*this.m33-this.m23*this.m30)+ +this.m13*(this.m22*this.m30-this.m20*this.m32)+this.m10*(this.m23*this.m32-this.m22*this.m33),this.m22*(this.m00*this.m33-this.m03*this.m30)+this.m23*(this.m02*this.m30-this.m00*this.m32)+this.m20*(this.m03*this.m32-this.m02*this.m33),this.m32*(this.m00*this.m13-this.m03*this.m10)+this.m33*(this.m02*this.m10-this.m00*this.m12)+this.m30*(this.m03*this.m12-this.m02*this.m13),this.m02*(this.m13*this.m20-this.m10*this.m23)+this.m03*(this.m10*this.m22-this.m12*this.m20)+this.m00*(this.m12*this.m23-this.m13* +this.m22),this.m13*(this.m20*this.m31-this.m21*this.m30)+this.m10*(this.m21*this.m33-this.m23*this.m31)+this.m11*(this.m23*this.m30-this.m20*this.m33),this.m23*(this.m00*this.m31-this.m01*this.m30)+this.m20*(this.m01*this.m33-this.m03*this.m31)+this.m21*(this.m03*this.m30-this.m00*this.m33),this.m33*(this.m00*this.m11-this.m01*this.m10)+this.m30*(this.m01*this.m13-this.m03*this.m11)+this.m31*(this.m03*this.m10-this.m00*this.m13),this.m03*(this.m11*this.m20-this.m10*this.m21)+this.m00*(this.m13*this.m21- +this.m11*this.m23)+this.m01*(this.m10*this.m23-this.m13*this.m20),this.m10*(this.m22*this.m31-this.m21*this.m32)+this.m11*(this.m20*this.m32-this.m22*this.m30)+this.m12*(this.m21*this.m30-this.m20*this.m31),this.m20*(this.m02*this.m31-this.m01*this.m32)+this.m21*(this.m00*this.m32-this.m02*this.m30)+this.m22*(this.m01*this.m30-this.m00*this.m31),this.m30*(this.m02*this.m11-this.m01*this.m12)+this.m31*(this.m00*this.m12-this.m02*this.m10)+this.m32*(this.m01*this.m10-this.m00*this.m11),this.m00*(this.m11* +this.m22-this.m12*this.m21)+this.m01*(this.m12*this.m20-this.m10*this.m22)+this.m02*(this.m10*this.m21-this.m11*this.m20));this.scale(a);return this});c(c$,"set",function(a,b,d,c,f,g,e,j,l,p,m,q,n,k,r,s){this.m00=a;this.m01=b;this.m02=d;this.m03=c;this.m10=f;this.m11=g;this.m12=e;this.m13=j;this.m20=l;this.m21=p;this.m22=m;this.m23=q;this.m30=n;this.m31=k;this.m32=r;this.m33=s},"~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N,~N");c(c$,"determinant4",function(){return(this.m00*this.m11-this.m01*this.m10)* +(this.m22*this.m33-this.m23*this.m32)-(this.m00*this.m12-this.m02*this.m10)*(this.m21*this.m33-this.m23*this.m31)+(this.m00*this.m13-this.m03*this.m10)*(this.m21*this.m32-this.m22*this.m31)+(this.m01*this.m12-this.m02*this.m11)*(this.m20*this.m33-this.m23*this.m30)-(this.m01*this.m13-this.m03*this.m11)*(this.m20*this.m32-this.m22*this.m30)+(this.m02*this.m13-this.m03*this.m12)*(this.m20*this.m31-this.m21*this.m30)});c(c$,"scale",function(a){this.mul33(a);this.m03*=a;this.m13*=a;this.m23*=a;this.m30*= +a;this.m31*=a;this.m32*=a;this.m33*=a},"~N");c(c$,"mul",function(a){this.mul2(this,a)},"JU.M4");c(c$,"mul2",function(a,b){this.set(a.m00*b.m00+a.m01*b.m10+a.m02*b.m20+a.m03*b.m30,a.m00*b.m01+a.m01*b.m11+a.m02*b.m21+a.m03*b.m31,a.m00*b.m02+a.m01*b.m12+a.m02*b.m22+a.m03*b.m32,a.m00*b.m03+a.m01*b.m13+a.m02*b.m23+a.m03*b.m33,a.m10*b.m00+a.m11*b.m10+a.m12*b.m20+a.m13*b.m30,a.m10*b.m01+a.m11*b.m11+a.m12*b.m21+a.m13*b.m31,a.m10*b.m02+a.m11*b.m12+a.m12*b.m22+a.m13*b.m32,a.m10*b.m03+a.m11*b.m13+a.m12*b.m23+ +a.m13*b.m33,a.m20*b.m00+a.m21*b.m10+a.m22*b.m20+a.m23*b.m30,a.m20*b.m01+a.m21*b.m11+a.m22*b.m21+a.m23*b.m31,a.m20*b.m02+a.m21*b.m12+a.m22*b.m22+a.m23*b.m32,a.m20*b.m03+a.m21*b.m13+a.m22*b.m23+a.m23*b.m33,a.m30*b.m00+a.m31*b.m10+a.m32*b.m20+a.m33*b.m30,a.m30*b.m01+a.m31*b.m11+a.m32*b.m21+a.m33*b.m31,a.m30*b.m02+a.m31*b.m12+a.m32*b.m22+a.m33*b.m32,a.m30*b.m03+a.m31*b.m13+a.m32*b.m23+a.m33*b.m33)},"JU.M4,JU.M4");c(c$,"transform",function(a){this.transform2(a,a)},"JU.T4");c(c$,"transform2",function(a, +b){b.set4(this.m00*a.x+this.m01*a.y+this.m02*a.z+this.m03*a.w,this.m10*a.x+this.m11*a.y+this.m12*a.z+this.m13*a.w,this.m20*a.x+this.m21*a.y+this.m22*a.z+this.m23*a.w,this.m30*a.x+this.m31*a.y+this.m32*a.z+this.m33*a.w)},"JU.T4,JU.T4");c(c$,"rotTrans",function(a){this.rotTrans2(a,a)},"JU.T3");c(c$,"rotTrans2",function(a,b){b.set(this.m00*a.x+this.m01*a.y+this.m02*a.z+this.m03,this.m10*a.x+this.m11*a.y+this.m12*a.z+this.m13,this.m20*a.x+this.m21*a.y+this.m22*a.z+this.m23);return 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java.util.Hashtable JU.PT JSV.app.JSVApp JSV.js2d.JsMainPanel $.JsPanel JU.Logger".split(" "), +function(){c$=k(function(){this.viewer=this.app=null;this.isStandalone=!1;this.htParams=this.viewerOptions=null;n(this,arguments)},JSV.appletjs,"JSVApplet",null,[JSV.api.JSVAppletInterface,JSV.api.AppletFrame,javajs.api.JSInterface]);m(c$,function(a){null==a&&(a=new java.util.Hashtable);this.viewerOptions=a;this.htParams=new java.util.Hashtable;var b;for(a=a.entrySet().iterator();a.hasNext()&&((b=a.next())||1);)this.htParams.put(b.getKey().toLowerCase(),b.getValue());this.init()},"java.util.Map"); +c(c$,"init",function(){this.app=new JSV.app.JSVApp(this,!0);this.initViewer();null!=this.app.appletReadyCallbackFunctionName&&null!=this.viewer.fullName&&this.callToJavaScript(this.app.appletReadyCallbackFunctionName,x(-1,[this.viewer.appletName,this.viewer.fullName,Boolean.TRUE,this]))});c(c$,"initViewer",function(){this.viewer=this.app.vwr;this.setLogging();this.viewerOptions.remove("debug");var a=this.viewerOptions.get("display"),a=document.getElementById(a);this.viewer.setDisplay(a);JU.Logger.info(this.getAppletInfo())}); c(c$,"setLogging",function(){var a=this.getValue("logLevel",this.getBooleanValue("debug",!1)?"5":"4").charCodeAt(0)-48;4!=a&&System.out.println("setting logLevel="+a+' -- To change, use script "set logLevel [0-5]"');JU.Logger.setLogLevel(a)});c(c$,"getParameter",function(a){a=this.htParams.get(a.toLowerCase());return null==a?null:String.instantialize(a.toString())},"~S");c(c$,"getBooleanValue",function(a,b){var d=this.getValue(a,b?"true":"");return d.equalsIgnoreCase("true")||d.equalsIgnoreCase("on")|| -d.equalsIgnoreCase("yes")},"~S,~B");c(c$,"getValue",function(a,b){var d=this.getParameter(a);System.out.println("getValue "+a+" = "+d);return null!=d?d:b},"~S,~S");e(c$,"isPro",function(){return this.app.isPro()});e(c$,"isSigned",function(){return this.app.isSigned()});e(c$,"finalize",function(){System.out.println("JSpecView "+this+" 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a=0;8>a;a++)JSV.common.ColorParameters.defaultPlotColors[a]= -this.getColorFromString(JSV.common.ColorParameters.defaultPlotColorNames[a]);this.plotColors=Array(8);System.arraycopy(JSV.common.ColorParameters.defaultPlotColors,0,this.plotColors,0,8)});c(c$,"setFor",function(a,b,d){null==b&&(b=this);d&&a.getPanelData().setBooleans(b,null);a=a.getPanelData();null!=a.getCurrentPlotColor(1)&&a.setPlotColors(this.plotColors);a.setColorOrFont(b,null)},"JSV.api.JSVPanel,JSV.common.ColorParameters,~B");c(c$,"set",function(a,b,d){var c=null;switch(b){default:this.setP(a, -b,d);return;case JSV.common.ScriptToken.PLOTCOLORS:null==a?this.getPlotColors(d):a.setPlotColors(this.getPlotColors(d));return;case JSV.common.ScriptToken.BACKGROUNDCOLOR:case JSV.common.ScriptToken.COORDINATESCOLOR:case JSV.common.ScriptToken.GRIDCOLOR:case JSV.common.ScriptToken.HIGHLIGHTCOLOR:case JSV.common.ScriptToken.INTEGRALPLOTCOLOR:case JSV.common.ScriptToken.PEAKTABCOLOR:case JSV.common.ScriptToken.PLOTAREACOLOR:case JSV.common.ScriptToken.PLOTCOLOR:case JSV.common.ScriptToken.SCALECOLOR:case JSV.common.ScriptToken.TITLECOLOR:case JSV.common.ScriptToken.UNITSCOLOR:c= +d.equalsIgnoreCase("yes")},"~S,~B");c(c$,"getValue",function(a,b){var d=this.getParameter(a);System.out.println("getValue "+a+" = "+d);return null!=d?d:b},"~S,~S");e(c$,"isPro",function(){return this.app.isPro()});e(c$,"isSigned",function(){return this.app.isSigned()});e(c$,"destroy",function(){this.app.dispose();this.app=null});c(c$,"getParameter",function(a,b){return this.isStandalone?System.getProperty(a,b):null!=this.getParameter(a)?this.getParameter(a):b},"~S,~S");e(c$,"getAppletInfo",function(){return JSV.app.JSVApp.getAppletInfo()}); +e(c$,"getSolnColour",function(){return this.app.getSolnColour()});e(c$,"getCoordinate",function(){return this.app.getCoordinate()});e(c$,"loadInline",function(a){this.app.loadInline(a)},"~S");c(c$,"$export",function(a,b){return 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m=0>g?c.getXVal():Double.$valueOf(d.get(g)).doubleValue(),n=0>e?c.getYVal():Double.$valueOf(d.get(e)).doubleValue(),q=0>j?c.getColor():a.getColor1(JU.CU.getArgbFromString(d.get(j))),k;0>l?k=c.text:(k=d.get(l),'"'==k.charAt(0)&&(k=k.substring(1,k.length-1)));return(new JSV.common.ColoredAnnotation).setCA(m,n,b,k,q,!1,!1,0,0)}catch(r){if(z(r,Exception))return null; +throw r;}},"J.api.GenericGraphics,JSV.common.Spectrum,JU.Lst,JSV.common.Annotation");B(self.c$);c$=t(JSV.common.Annotation,"AType",Enum);q(c$,"Integration",0,[]);q(c$,"PeakList",1,[]);q(c$,"Measurements",2,[]);q(c$,"OverlayLegend",3,[]);q(c$,"Views",4,[]);q(c$,"NONE",5,[]);c$=A()});r("JSV.common");s(["JSV.common.Annotation"],"JSV.common.ColoredAnnotation",null,function(){c$=k(function(){this.color=null;n(this,arguments)},JSV.common,"ColoredAnnotation",JSV.common.Annotation);c(c$,"getColor",function(){return this.color}); 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java.util.Hashtable;this.setColor(JSV.common.ScriptToken.TITLECOLOR,JSV.common.ColorParameters.BLACK);this.setColor(JSV.common.ScriptToken.UNITSCOLOR,JSV.common.ColorParameters.RED);this.setColor(JSV.common.ScriptToken.SCALECOLOR,JSV.common.ColorParameters.BLACK);this.setColor(JSV.common.ScriptToken.COORDINATESCOLOR,JSV.common.ColorParameters.RED);this.setColor(JSV.common.ScriptToken.GRIDCOLOR,JSV.common.ColorParameters.LIGHT_GRAY);this.setColor(JSV.common.ScriptToken.PLOTCOLOR,JSV.common.ColorParameters.BLUE); +this.setColor(JSV.common.ScriptToken.PLOTAREACOLOR,JSV.common.ColorParameters.WHITE);this.setColor(JSV.common.ScriptToken.BACKGROUNDCOLOR,this.getColor3(192,192,192));this.setColor(JSV.common.ScriptToken.INTEGRALPLOTCOLOR,JSV.common.ColorParameters.RED);this.setColor(JSV.common.ScriptToken.PEAKTABCOLOR,JSV.common.ColorParameters.RED);this.setColor(JSV.common.ScriptToken.HIGHLIGHTCOLOR,JSV.common.ColorParameters.DARK_GRAY);for(var a=0;8>a;a++)JSV.common.ColorParameters.defaultPlotColors[a]=this.getColorFromString(JSV.common.ColorParameters.defaultPlotColorNames[a]); +this.plotColors=Array(8);System.arraycopy(JSV.common.ColorParameters.defaultPlotColors,0,this.plotColors,0,8)});c(c$,"setFor",function(a,b,d){null==b&&(b=this);d&&a.getPanelData().setBooleans(b,null);a=a.getPanelData();null!=a.getCurrentPlotColor(1)&&a.setPlotColors(this.plotColors);a.setColorOrFont(b,null)},"JSV.api.JSVPanel,JSV.common.ColorParameters,~B");c(c$,"set",function(a,b,d){var c=null;switch(b){default:this.setP(a,b,d);return;case JSV.common.ScriptToken.PLOTCOLORS:null==a?this.getPlotColors(d): +a.setPlotColors(this.getPlotColors(d));return;case JSV.common.ScriptToken.BACKGROUNDCOLOR:case JSV.common.ScriptToken.COORDINATESCOLOR:case JSV.common.ScriptToken.GRIDCOLOR:case JSV.common.ScriptToken.HIGHLIGHTCOLOR:case JSV.common.ScriptToken.INTEGRALPLOTCOLOR:case JSV.common.ScriptToken.PEAKTABCOLOR:case JSV.common.ScriptToken.PLOTAREACOLOR:case JSV.common.ScriptToken.PLOTCOLOR:case JSV.common.ScriptToken.SCALECOLOR:case JSV.common.ScriptToken.TITLECOLOR:case JSV.common.ScriptToken.UNITSCOLOR:c= this.setColorFromString(b,d);break;case JSV.common.ScriptToken.TITLEFONTNAME:case JSV.common.ScriptToken.DISPLAYFONTNAME:c=this.getFontName(b,d)}null!=a&&null!=c&&a.setColorOrFont(this,b)},"JSV.common.PanelData,JSV.common.ScriptToken,~S");c(c$,"getElementColor",function(a){return this.elementColors.get(a)},"JSV.common.ScriptToken");c(c$,"setColor",function(a,b){null!=b&&this.elementColors.put(a,b);return b},"JSV.common.ScriptToken,javajs.api.GenericColor");c(c$,"copy",function(){return this.copy(this.name)}); c(c$,"setElementColors",function(a){this.displayFontName=a.displayFontName;var b;for(a=a.elementColors.entrySet().iterator();a.hasNext()&&((b=a.next())||1);)this.setColor(b.getKey(),b.getValue());return this},"JSV.common.ColorParameters");c(c$,"getColorFromString",function(a){return this.getColor1(JU.CU.getArgbFromString(a))},"~S");c(c$,"getPlotColors",function(a){if(null==a)return this.plotColors[0]=this.getElementColor(JSV.common.ScriptToken.PLOTCOLOR),this.plotColors;a=new java.util.StringTokenizer(a, -",;.- ");var b=new JU.Lst;try{for(;a.hasMoreTokens();)b.addLast(this.getColorFromString(a.nextToken()))}catch(d){if(y(d,Exception))return null;throw d;}return b.toArray(Array(b.size()))},"~S");c(c$,"setColorFromString",function(a,b){return this.setColor(a,this.getColorFromString(b))},"JSV.common.ScriptToken,~S");c(c$,"getFontName",function(a,b){var d=this.isValidFontName(b);switch(a){case JSV.common.ScriptToken.TITLEFONTNAME:return d?this.titleFontName=b:this.titleFontName;case JSV.common.ScriptToken.DISPLAYFONTNAME:return d? -this.displayFontName=b:this.displayFontName}return null},"JSV.common.ScriptToken,~S");D(c$,"BLACK",null,"RED",null,"LIGHT_GRAY",null,"DARK_GRAY",null,"BLUE",null,"WHITE",null);c$.defaultPlotColors=c$.prototype.defaultPlotColors=Array(8);c$.defaultPlotColorNames=c$.prototype.defaultPlotColorNames=w(-1,"black darkGreen darkred orange magenta cyan maroon darkGray".split(" "))});s("JSV.common");c$=u(JSV.common,"CoordComparator",null,java.util.Comparator);e(c$,"compare",function(a,b){return a.getXVal()> -b.getXVal()?1:a.getXVal()=b&&JSV.common.Coordinate.getMaxY(a,0,a.length-1)>=d},"~A,~N,~N");c$.normalise=c(c$,"normalise",function(a,b,d){var c=Array(a.length),f=JSV.common.Coordinate.getMinY(a,0,a.length-1);d=(JSV.common.Coordinate.getMaxY(a,0,a.length-1)-f)/(d-b);for(var h=0;ha.length||0>b)){switch(e){case 0:f=a[a.length-b].getXVal()-f*h;break;case 1:f=d-f*h;break;case 2:f=c+f}for(d=0;dc&&(c=f)}return c},"~A,~N,~N");c$.getMaxX=c(c$,"getMaxX",function(a,b){for(var d=-1.7976931348623157E308,c=0;cd&&(d=f)}return 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b,d=0,c=JSV.common.ExportType.values();da||this.iSpectrumClicked!=a)this.lastClickX=NaN,this.lastPixelX=2147483647;this.iSpectrumClicked=this.setSpectrumSelected(this.setSpectrumMovedTo(a))},"~N");c(c$,"setSpectrumSelected",function(a){var b=a!=this.iSpectrumSelected;this.iSpectrumSelected=a;b&&this.getCurrentView();return this.iSpectrumSelected},"~N");c(c$,"closeDialogsExcept",function(a){if(null!=this.dialogs)for(var b,d=this.dialogs.entrySet().iterator();d.hasNext()&& ((b=d.next())||1);){var c=b.getValue();c.isDialog()&&(a===JSV.common.Annotation.AType.NONE||c.getAType()!==a)&&c.setVisible(!1)}},"JSV.common.Annotation.AType");c(c$,"dispose",function(){this.widgets=this.graphsTemp=this.imageView=this.pendingMeasurement=this.lastAnnotation=this.annotations=this.viewList=this.viewData=this.spectra=null;this.disposeImage();if(null!=this.dialogs)for(var a,b=this.dialogs.entrySet().iterator();b.hasNext()&&((a=b.next())||1);){var d=a.getValue();d.isDialog()&&d.dispose()}this.dialogs= null});c(c$,"isDrawNoSpectra",function(){return-2147483648==this.iSpectrumSelected});c(c$,"getFixedSelectedSpectrumIndex",function(){return Math.max(this.iSpectrumSelected,0)});c(c$,"getSpectrum",function(){return this.getSpectrumAt(this.getFixedSelectedSpectrumIndex()).getCurrentSubSpectrum()});c(c$,"getSpectrumAt",function(a){return this.spectra.get(a)},"~N");c(c$,"getSpectrumIndex",function(a){for(var b=this.spectra.size();0<=--b;)if(this.spectra.get(b)===a)return b;return-1},"JSV.common.Spectrum"); c(c$,"addSpec",function(a){this.spectra.addLast(a);this.nSpectra++},"JSV.common.Spectrum");c(c$,"splitStack",function(a){a&&this.isSplittable?(this.nSplit=this.nSpectra,this.showAllStacked=!1,this.setSpectrumClicked(this.iSpectrumSelected),this.pd.currentSplitPoint=this.iSpectrumSelected):(this.nSplit=1,this.showAllStacked=this.allowStacking&&!a,this.setSpectrumClicked(this.iSpectrumSelected));this.stackSelected=!1;JSV.common.GraphSet.setFractionalPositions(this.pd,this.pd.graphSets,JSV.common.PanelData.LinkMode.NONE); -this.pd.setTaintedAll()},"~B");c(c$,"setPositionForFrame",function(a){0>a&&(a=0);var b=this.height-50;this.xPixel00=x(this.width*this.fX0);this.xPixel11=x(this.xPixel00+this.width*this.fracX-1);this.xHArrows=this.xPixel00+25;this.xVArrows=this.xPixel11-x(this.right/2);this.xPixel0=this.xPixel00+x(this.left*(1-this.fX0));this.xPixel10=this.xPixel1=this.xPixel11-this.right;this.xPixels0=this.xPixels=this.xPixel1-this.xPixel0+1;this.yPixel000=(0==this.fY0?25:0)+x(this.height*this.fY0);this.yPixel00= -this.yPixel000+x(b*this.fracY*a);this.yPixel11=this.yPixel00+x(b*this.fracY)-1;this.yHArrows=this.yPixel11-12;this.yPixel0=this.yPixel00+x(this.top/2);this.yPixel1=this.yPixel11-x(this.bottom/2);this.yPixels=this.yPixel1-this.yPixel0+1;null!=this.imageView&&this.is2DSpectrum&&(this.setImageWindow(),this.pd.display1D?(this.xPixels=x(Math.floor(0.8*(this.pd.display1D?1*(this.xPixels0-this.imageView.xPixels)/this.xPixels0:1)*this.xPixels0)),this.xPixel1=this.xPixel0+this.xPixels-1):(this.xPixels=0,this.xPixel1= -this.imageView.xPixel0-30))},"~N");c(c$,"hasPoint",function(a,b){return a>=this.xPixel00&&a<=this.xPixel11&&b>=this.yPixel000&&b<=this.yPixel11*this.nSplit},"~N,~N");c(c$,"isInPlotRegion",function(a,b){return a>=this.xPixel0&&a<=this.xPixel1&&b>=this.yPixel0&&b<=this.yPixel1},"~N,~N");c(c$,"getSplitPoint",function(a){return Math.max(0,Math.min(x((a-this.yPixel000)/(this.yPixel11-this.yPixel00)),this.nSplit-1))},"~N");c(c$,"isSplitWidget",function(a,b){return this.isFrameBox(a,b,this.splitterX,this.splitterY)}, +this.pd.setTaintedAll()},"~B");c(c$,"setPositionForFrame",function(a){0>a&&(a=0);var b=this.height-50;this.xPixel00=v(this.width*this.fX0);this.xPixel11=v(this.xPixel00+this.width*this.fracX-1);this.xHArrows=this.xPixel00+25;this.xVArrows=this.xPixel11-v(this.right/2);this.xPixel0=this.xPixel00+v(this.left*(1-this.fX0));this.xPixel10=this.xPixel1=this.xPixel11-this.right;this.xPixels0=this.xPixels=this.xPixel1-this.xPixel0+1;this.yPixel000=(0==this.fY0?25:0)+v(this.height*this.fY0);this.yPixel00= +this.yPixel000+v(b*this.fracY*a);this.yPixel11=this.yPixel00+v(b*this.fracY)-1;this.yHArrows=this.yPixel11-12;this.yPixel0=this.yPixel00+v(this.top/2);this.yPixel1=this.yPixel11-v(this.bottom/2);this.yPixels=this.yPixel1-this.yPixel0+1;null!=this.imageView&&this.is2DSpectrum&&(this.setImageWindow(),this.pd.display1D?(this.xPixels=v(Math.floor(0.8*(this.pd.display1D?1*(this.xPixels0-this.imageView.xPixels)/this.xPixels0:1)*this.xPixels0)),this.xPixel1=this.xPixel0+this.xPixels-1):(this.xPixels=0,this.xPixel1= +this.imageView.xPixel0-30))},"~N");c(c$,"hasPoint",function(a,b){return a>=this.xPixel00&&a<=this.xPixel11&&b>=this.yPixel000&&b<=this.yPixel11*this.nSplit},"~N,~N");c(c$,"isInPlotRegion",function(a,b){return a>=this.xPixel0&&a<=this.xPixel1&&b>=this.yPixel0&&b<=this.yPixel1},"~N,~N");c(c$,"getSplitPoint",function(a){return Math.max(0,Math.min(v((a-this.yPixel000)/(this.yPixel11-this.yPixel00)),this.nSplit-1))},"~N");c(c$,"isSplitWidget",function(a,b){return this.isFrameBox(a,b,this.splitterX,this.splitterY)}, "~N,~N");c(c$,"isCloserWidget",function(a,b){return this.isFrameBox(a,b,this.closerX,this.closerY)},"~N,~N");c(c$,"initGraphSet",function(a,b){null==JSV.common.GraphSet.veryLightGrey&&(JSV.common.GraphSet.veryLightGrey=this.g2d.getColor3(200,200,200));this.setPlotColors(JSV.common.ColorParameters.defaultPlotColors);this.xAxisLeftToRight=this.getSpectrumAt(0).shouldDisplayXAxisIncreasing();this.setDrawXAxis();var d=E(this.nSpectra,0),c=E(this.nSpectra,0);this.bsSelected.setBits(0,this.nSpectra);this.allowStackedYScale= -!0;0>=b&&(b=2147483647);this.isSplittable=1=b&&(b=2147483647);this.isSplittable=1this.pin1Dx0.yPixel0-2&&bthis.pin2Dx0.yPixel0-2&&bthis.pin1Dy0.xPixel1&&athis.pin2Dy0.xPixel1&&athis.iSpectrumClicked)return!1;this.xValueMovedTo=this.getSpectrum().findXForPeakNearest(this.xValueMovedTo);this.setXPixelMovedTo(this.xValueMovedTo,1.7976931348623157E308,0,0);return!Double.isNaN(this.xValueMovedTo)});c(c$,"setXPixelMovedTo",function(a,b,d,c){1.7976931348623157E308==a&&1.7976931348623157E308==b?(this.xPixelMovedTo= +this.yPixel0,this.yPixel1)},"~N");c(c$,"getXPixel0",function(){return this.xPixel0});c(c$,"getXPixels",function(){return this.xPixels});e(c$,"getYPixels",function(){return this.yPixels});c(c$,"getScale",function(){return this.viewData.getScale()});c(c$,"toPixelYint",function(a){return this.yPixel1-v(Double.isNaN(a)?-2147483648:this.yPixels*a)},"~N");c(c$,"findAnnotation2D",function(a){for(var b=this.annotations.size();0<=--b;){var d=this.annotations.get(b);if(this.isNearby(d,a,this.imageView,10))return d}return null}, +"JSV.common.Coordinate");c(c$,"addAnnotation",function(a,b){null==this.annotations&&(this.annotations=new JU.Lst);for(var d=!1,c=this.annotations.size();0<=--c;)if(a.is2D?this.isNearby(this.annotations.get(c),a,this.imageView,10):a.equals(this.annotations.get(c)))d=!0,this.annotations.removeItemAt(c);0this.iSpectrumClicked)return!1;this.xValueMovedTo=this.getSpectrum().findXForPeakNearest(this.xValueMovedTo);this.setXPixelMovedTo(this.xValueMovedTo,1.7976931348623157E308,0,0);return!Double.isNaN(this.xValueMovedTo)});c(c$,"setXPixelMovedTo",function(a,b,d,c){1.7976931348623157E308==a&&1.7976931348623157E308==b?(this.xPixelMovedTo= d,this.xPixelMovedTo2=c,this.isLinked&&this.sticky2Dcursor&&this.pd.setlinkedXMove(this,this.toX(this.xPixelMovedTo),!1)):(1.7976931348623157E308!=a&&(this.xPixelMovedTo=this.toPixelX(a),this.fixX(this.xPixelMovedTo)!=this.xPixelMovedTo&&(this.xPixelMovedTo=-1),this.xPixelMovedTo2=-1,1E10!=a&&this.setSpectrumClicked(this.getFixedSelectedSpectrumIndex())),1.7976931348623157E308!=b&&(this.xPixelMovedTo2=this.toPixelX(b)))},"~N,~N,~N,~N");c(c$,"processPendingMeasurement",function(a,b,d){if(!this.isInPlotRegion(a, -b)||this.is2dClick(a,b))this.pendingMeasurement=null;else{var c=this.toX(a),f=this.toY(b),h=c;switch(d){case 0:this.pendingMeasurement.setPt2(this.toX(a),this.toY(b));break;case 3:case 2:if(0>this.iSpectrumClicked)break;var e=this.spectra.get(this.iSpectrumClicked);this.setScale(this.iSpectrumClicked);3!=d&&(d=this.findMeasurement(this.selectedSpectrumMeasurements,a,b,1),null!=d?(c=d.getXVal(),f=d.getYVal()):null!=(d=this.findMeasurement(this.selectedSpectrumMeasurements,a,b,2))?(c=d.getXVal2(),f= -d.getYVal2()):c=this.getNearestPeak(e,c,f));this.pendingMeasurement=(new JSV.common.Measurement).setM1(c,f,e);this.pendingMeasurement.setPt2(h,f);this.pd.setTaintedAll();this.pd.repaint();break;case 1:case -2:case -3:for(h=null!=this.pendingMeasurement&&this.isVisible(this.getDialog(JSV.common.Annotation.AType.Measurements,-1));h;){this.setScale(this.getSpectrumIndex(this.pendingMeasurement.spec));if(3!=d){if(!this.findNearestMaxMin()){h=!1;break}a=this.xPixelMovedTo}c=this.toX(a);f=this.toY(b);this.pendingMeasurement.setPt2(c, -f);if(0==this.pendingMeasurement.text.length){h=!1;break}this.setMeasurement(this.pendingMeasurement);if(1!=d){h=!1;break}this.setSpectrumClicked(this.getSpectrumIndex(this.pendingMeasurement.spec));this.pendingMeasurement=(new JSV.common.Measurement).setM1(c,f,this.pendingMeasurement.spec);break}h||(this.pendingMeasurement=null);this.pd.setTaintedAll();this.pd.repaint();break;case 5:this.findNearestMaxMin()?(a=this.getFixedSelectedSpectrumIndex(),Double.isNaN(this.lastXMax)||this.lastSpecClicked!= +b)||this.is2dClick(a,b))this.pendingMeasurement=null;else{var c=this.toX(a),f=this.toY(b),g=c;switch(d){case 0:this.pendingMeasurement.setPt2(this.toX(a),this.toY(b));break;case 3:case 2:if(0>this.iSpectrumClicked)break;var e=this.spectra.get(this.iSpectrumClicked);this.setScale(this.iSpectrumClicked);3!=d&&(d=this.findMeasurement(this.selectedSpectrumMeasurements,a,b,1),null!=d?(c=d.getXVal(),f=d.getYVal()):null!=(d=this.findMeasurement(this.selectedSpectrumMeasurements,a,b,2))?(c=d.getXVal2(),f= +d.getYVal2()):c=this.getNearestPeak(e,c,f));this.pendingMeasurement=(new JSV.common.Measurement).setM1(c,f,e);this.pendingMeasurement.setPt2(g,f);this.pd.setTaintedAll();this.pd.repaint();break;case 1:case -2:case -3:for(g=null!=this.pendingMeasurement&&this.isVisible(this.getDialog(JSV.common.Annotation.AType.Measurements,-1));g;){this.setScale(this.getSpectrumIndex(this.pendingMeasurement.spec));if(3!=d){if(!this.findNearestMaxMin()){g=!1;break}a=this.xPixelMovedTo}c=this.toX(a);f=this.toY(b);this.pendingMeasurement.setPt2(c, +f);if(0==this.pendingMeasurement.text.length){g=!1;break}this.setMeasurement(this.pendingMeasurement);if(1!=d){g=!1;break}this.setSpectrumClicked(this.getSpectrumIndex(this.pendingMeasurement.spec));this.pendingMeasurement=(new JSV.common.Measurement).setM1(c,f,this.pendingMeasurement.spec);break}g||(this.pendingMeasurement=null);this.pd.setTaintedAll();this.pd.repaint();break;case 5:this.findNearestMaxMin()?(a=this.getFixedSelectedSpectrumIndex(),Double.isNaN(this.lastXMax)||this.lastSpecClicked!= a||null==this.pendingMeasurement?(this.lastXMax=this.xValueMovedTo,this.lastSpecClicked=a,this.pendingMeasurement=(new JSV.common.Measurement).setM1(this.xValueMovedTo,this.yValueMovedTo,this.spectra.get(a))):(this.pendingMeasurement.setPt2(this.xValueMovedTo,this.yValueMovedTo),0Math.abs(b-e)+Math.abs(d-l))return f;break;case 2:if(4>Math.abs(b-j)+Math.abs(d-p))return f;break;case -5:l=p=x((l+p)/2),j=e+20;default:case -1:case -2:if(JSV.common.GraphSet.isOnLine(b,d,e,l,j,p))return f}}return null},"JSV.common.MeasurementData,~N,~N,~N");c(c$,"setMeasurement",function(a){var b=this.getSpectrumIndex(a.spec),d=this.getDialog(JSV.common.Annotation.AType.Measurements, +b,d,a.isInverted(),!0);return Double.isNaN(c)?a:Double.isNaN(a)?c:Math.abs(c-b)Math.abs(b-e)+Math.abs(d-l))return f;break;case 2:if(4>Math.abs(b-j)+Math.abs(d-p))return f;break;case -5:l=p=v((l+p)/2),j=e+20;default:case -1:case -2:if(JSV.common.GraphSet.isOnLine(b,d,e,l,j,p))return f}}return null},"JSV.common.MeasurementData,~N,~N,~N");c(c$,"setMeasurement",function(a){var b=this.getSpectrumIndex(a.spec),d=this.getDialog(JSV.common.Annotation.AType.Measurements, b);null==d&&this.addDialog(b,JSV.common.Annotation.AType.Measurements,d=new JSV.common.MeasurementData(JSV.common.Annotation.AType.Measurements,a.spec));d.getData().addLast(a.copyM());this.updateDialog(JSV.common.Annotation.AType.Measurements,-1)},"JSV.common.Measurement");c(c$,"checkArrowUpDownClick",function(a,b){var d=!1,c=this.isArrowClick(a,b,3)?JSV.common.GraphSet.RT2:this.isArrowClick(a,b,4)?1/JSV.common.GraphSet.RT2:0;if(0!=c){1d&&(d=this.nSpectra-1),this.setSpectrumClicked(d%this.nSpectra),!0;if(this.isArrowClick(a,b,0)){if(this.showAllStacked)return this.showAllStacked=!1,this.setSpectrumClicked(this.getFixedSelectedSpectrumIndex()),!0;this.showAllStacked=this.allowStacking;this.setSpectrumSelected(-1); -this.stackSelected=!1}}return!1},"~N,~N");c(c$,"isArrowClick",function(a,b,d){switch(d){case 3:case 4:case -1:return d=x((this.yPixel00+this.yPixel11)/2)+15*(3==d?-1:4==d?1:0),10>Math.abs(this.xVArrows-a)&&10>Math.abs(d-b);case 1:case 2:case 0:return d=this.xHArrows+15*(1==d?-1:2==d?1:0),10>Math.abs(d-a)&&10>Math.abs(this.yHArrows-b)}return!1},"~N,~N,~N");c(c$,"setWidgetValueByUser",function(a){var b;b=a===this.cur2Dy?""+this.imageView.toSubspectrumIndex(a.yPixel0):a===this.pin1Dx01?""+Math.min(this.pin1Dx0.getXVal(), -this.pin1Dx1.getXVal())+" - "+Math.max(this.pin1Dx0.getXVal(),this.pin1Dx1.getXVal()):a===this.pin1Dy01?""+Math.min(this.pin1Dy0.getYVal(),this.pin1Dy1.getYVal())+" - "+Math.max(this.pin1Dy0.getYVal(),this.pin1Dy1.getYVal()):a===this.pin2Dx01?""+Math.min(this.pin2Dx0.getXVal(),this.pin2Dx1.getXVal())+" - "+Math.max(this.pin2Dx0.getXVal(),this.pin2Dx1.getXVal()):a===this.pin2Dy01?""+x(Math.min(this.pin2Dy0.getYVal(),this.pin2Dy1.getYVal()))+" - "+x(Math.max(this.pin2Dy0.getYVal(),this.pin2Dy1.getYVal())): +this.stackSelected=!1}}return!1},"~N,~N");c(c$,"isArrowClick",function(a,b,d){switch(d){case 3:case 4:case -1:return d=v((this.yPixel00+this.yPixel11)/2)+15*(3==d?-1:4==d?1:0),10>Math.abs(this.xVArrows-a)&&10>Math.abs(d-b);case 1:case 2:case 0:return d=this.xHArrows+15*(1==d?-1:2==d?1:0),10>Math.abs(d-a)&&10>Math.abs(this.yHArrows-b)}return!1},"~N,~N,~N");c(c$,"setWidgetValueByUser",function(a){var b;b=a===this.cur2Dy?""+this.imageView.toSubspectrumIndex(a.yPixel0):a===this.pin1Dx01?""+Math.min(this.pin1Dx0.getXVal(), +this.pin1Dx1.getXVal())+" - "+Math.max(this.pin1Dx0.getXVal(),this.pin1Dx1.getXVal()):a===this.pin1Dy01?""+Math.min(this.pin1Dy0.getYVal(),this.pin1Dy1.getYVal())+" - "+Math.max(this.pin1Dy0.getYVal(),this.pin1Dy1.getYVal()):a===this.pin2Dx01?""+Math.min(this.pin2Dx0.getXVal(),this.pin2Dx1.getXVal())+" - "+Math.max(this.pin2Dx0.getXVal(),this.pin2Dx1.getXVal()):a===this.pin2Dy01?""+v(Math.min(this.pin2Dy0.getYVal(),this.pin2Dy1.getYVal()))+" - "+v(Math.max(this.pin2Dy0.getYVal(),this.pin2Dy1.getYVal())): ""+a.getValue();b=this.pd.getInput("New value?","Set Slider",b);if(null!=b){b=b.trim();try{if(a===this.pin1Dx01||a===this.pin1Dy01||a===this.pin2Dx01||a===this.pin2Dy01){var d=b.indexOf("-",1);if(!(0>d)){var c=Double.$valueOf(b.substring(0,d)).doubleValue(),f=Double.$valueOf(b.substring(d+1)).doubleValue();a===this.pin1Dx01?this.doZoom(c,this.pin1Dy0.getYVal(),f,this.pin1Dy1.getYVal(),!0,!1,!1,!0,!0):a===this.pin1Dy01?this.doZoom(this.pin1Dx0.getXVal(),c,this.pin1Dx1.getXVal(),f,null==this.imageView, null==this.imageView,!1,!1,!0):a===this.pin2Dx01?(this.imageView.setView0(this.imageView.toPixelX0(c),this.pin2Dy0.yPixel0,this.imageView.toPixelX0(f),this.pin2Dy1.yPixel0),this.doZoom(c,this.pin1Dy0.getYVal(),f,this.pin1Dy1.getYVal(),!1,!1,!1,!0,!0)):a===this.pin2Dy01&&(this.imageView.setView0(this.pin2Dx0.xPixel0,this.imageView.toPixelY0(c),this.pin2Dx1.xPixel0,this.imageView.toPixelY0(f)),this.doZoom(this.imageView.toX(this.imageView.xPixel0),this.getScale().minY,this.imageView.toX(this.imageView.xPixel0+ -this.imageView.xPixels-1),this.getScale().maxY,!1,!1,!1,!1,!0))}}else{var h=Double.$valueOf(b).doubleValue();a.isXtype?(f=a===this.pin1Dx0||a===this.cur2Dx0||a===this.pin2Dx0?this.pin1Dx1.getXVal():this.pin1Dx0.getXVal(),this.doZoom(h,0,f,0,!a.is2D,!1,!1,!0,!0)):a===this.cur2Dy?this.setCurrentSubSpectrum(x(h)):a===this.pin2Dy0||a===this.pin2Dy1?(f=a===this.pin2Dy0?this.pin2Dy1.yPixel0:this.pin2Dy0.yPixel0,this.imageView.setView0(this.pin2Dx0.xPixel0,this.imageView.subIndexToPixelY(x(h)),this.pin2Dx1.xPixel0, -f)):(f=a===this.pin1Dy0?this.pin1Dy1.getYVal():this.pin1Dy0.getYVal(),this.doZoom(this.pin1Dx0.getXVal(),h,this.pin1Dx1.getXVal(),f,null==this.imageView,null==this.imageView,!1,!1,!0))}}catch(e){if(!y(e,Exception))throw e;}}},"JSV.common.PlotWidget");c(c$,"removeAllHighlights",function(a){if(null==a)this.highlights.clear();else for(var b=this.highlights.size();0<=--b;)this.highlights.get(b).spectrum===a&&this.highlights.removeItemAt(b)},"JSV.common.Spectrum");c(c$,"setCoordClicked",function(a,b,d){0== +this.imageView.xPixels-1),this.getScale().maxY,!1,!1,!1,!1,!0))}}else{var g=Double.$valueOf(b).doubleValue();a.isXtype?(f=a===this.pin1Dx0||a===this.cur2Dx0||a===this.pin2Dx0?this.pin1Dx1.getXVal():this.pin1Dx0.getXVal(),this.doZoom(g,0,f,0,!a.is2D,!1,!1,!0,!0)):a===this.cur2Dy?this.setCurrentSubSpectrum(v(g)):a===this.pin2Dy0||a===this.pin2Dy1?(f=a===this.pin2Dy0?this.pin2Dy1.yPixel0:this.pin2Dy0.yPixel0,this.imageView.setView0(this.pin2Dx0.xPixel0,this.imageView.subIndexToPixelY(v(g)),this.pin2Dx1.xPixel0, +f)):(f=a===this.pin1Dy0?this.pin1Dy1.getYVal():this.pin1Dy0.getYVal(),this.doZoom(this.pin1Dx0.getXVal(),g,this.pin1Dx1.getXVal(),f,null==this.imageView,null==this.imageView,!1,!1,!0))}}catch(e){if(!z(e,Exception))throw e;}}},"JSV.common.PlotWidget");c(c$,"removeAllHighlights",function(a){if(null==a)this.highlights.clear();else for(var b=this.highlights.size();0<=--b;)this.highlights.get(b).spectrum===a&&this.highlights.removeItemAt(b)},"JSV.common.Spectrum");c(c$,"setCoordClicked",function(a,b,d){0== d&&(this.nextClickForSetPeak=null);if(Double.isNaN(b))return this.pd.coordClicked=null,this.pd.coordsClicked=null;this.pd.coordClicked=(new JSV.common.Coordinate).set(this.lastClickX=b,d);this.pd.coordsClicked=this.getSpectrum().getXYCoords();this.pd.xPixelClicked=this.lastPixelX=a;return this.pd.coordClicked},"~N,~N,~N");c(c$,"setWidgets",function(a,b,d){if(a||null==this.pin1Dx0)null==this.zoomBox1D?this.newPins():this.resetPinPositions();this.setDerivedPins(b);this.setPinSliderPositions(d)},"~B,~N,~B"); c(c$,"newPins",function(){this.zoomBox1D=new JSV.common.PlotWidget("zoomBox1D");this.pin1Dx0=new JSV.common.PlotWidget("pin1Dx0");this.pin1Dx1=new JSV.common.PlotWidget("pin1Dx1");this.pin1Dy0=new JSV.common.PlotWidget("pin1Dy0");this.pin1Dy1=new JSV.common.PlotWidget("pin1Dy1");this.pin1Dx01=new JSV.common.PlotWidget("pin1Dx01");this.pin1Dy01=new JSV.common.PlotWidget("pin1Dy01");this.cur1D2x1=new JSV.common.PlotWidget("cur1D2x1");this.cur1D2x1.color=JSV.common.ScriptToken.PEAKTABCOLOR;this.cur1D2x2= new JSV.common.PlotWidget("cur1D2x2");this.cur1D2x2.color=JSV.common.ScriptToken.PEAKTABCOLOR;if(null!=this.imageView){this.zoomBox2D=new JSV.common.PlotWidget("zoomBox2D");this.pin2Dx0=new JSV.common.PlotWidget("pin2Dx0");this.pin2Dx1=new JSV.common.PlotWidget("pin2Dx1");this.pin2Dy0=new JSV.common.PlotWidget("pin2Dy0");this.pin2Dy1=new JSV.common.PlotWidget("pin2Dy1");this.pin2Dx01=new JSV.common.PlotWidget("pin2Dx01");this.pin2Dy01=new JSV.common.PlotWidget("pin2Dy01");this.cur2Dx0=new JSV.common.PlotWidget("cur2Dx0"); -this.cur2Dx1=new JSV.common.PlotWidget("cur2Dx1");this.cur2Dy=new JSV.common.PlotWidget("cur2Dy");this.pin2Dy0.setY(0,this.imageView.toPixelY0(0));var a=this.getSpectrumAt(0).getSubSpectra().size();this.pin2Dy1.setY(a,this.imageView.toPixelY0(a))}this.setWidgetX(this.pin1Dx0,this.getScale().minX);this.setWidgetX(this.pin1Dx1,this.getScale().maxX);this.setWidgetY(this.pin1Dy0,this.getScale().minY);this.setWidgetY(this.pin1Dy1,this.getScale().maxY);this.widgets=w(-1,[this.zoomBox1D,this.zoomBox2D,this.pin1Dx0, +this.cur2Dx1=new JSV.common.PlotWidget("cur2Dx1");this.cur2Dy=new JSV.common.PlotWidget("cur2Dy");this.pin2Dy0.setY(0,this.imageView.toPixelY0(0));var a=this.getSpectrumAt(0).getSubSpectra().size();this.pin2Dy1.setY(a,this.imageView.toPixelY0(a))}this.setWidgetX(this.pin1Dx0,this.getScale().minX);this.setWidgetX(this.pin1Dx1,this.getScale().maxX);this.setWidgetY(this.pin1Dy0,this.getScale().minY);this.setWidgetY(this.pin1Dy1,this.getScale().maxY);this.widgets=x(-1,[this.zoomBox1D,this.zoomBox2D,this.pin1Dx0, this.pin1Dx01,this.pin1Dx1,this.pin1Dy0,this.pin1Dy01,this.pin1Dy1,this.pin2Dx0,this.pin2Dx01,this.pin2Dx1,this.pin2Dy0,this.pin2Dy01,this.pin2Dy1,this.cur2Dx0,this.cur2Dx1,this.cur2Dy,this.cur1D2x1,this.cur1D2x2])});c(c$,"setWidgetX",function(a,b){a.setX(b,this.toPixelX0(b))},"JSV.common.PlotWidget,~N");c(c$,"setWidgetY",function(a,b){a.setY(b,this.toPixelY0(b))},"JSV.common.PlotWidget,~N");c(c$,"resetPinsFromView",function(){null!=this.pin1Dx0&&(this.setWidgetX(this.pin1Dx0,this.getScale().minXOnScale), this.setWidgetX(this.pin1Dx1,this.getScale().maxXOnScale),this.setWidgetY(this.pin1Dy0,this.getScale().minYOnScale),this.setWidgetY(this.pin1Dy1,this.getScale().maxYOnScale))});c(c$,"resetPinPositions",function(){this.resetX(this.pin1Dx0);this.resetY(this.pin1Dy0);this.resetY(this.pin1Dy1);null==this.imageView?(null!=this.gs2dLinkedX&&this.resetX(this.cur1D2x1),null!=this.gs2dLinkedY&&this.resetX(this.cur1D2x2)):(this.pin2Dy0.setY(this.pin2Dy0.getYVal(),this.imageView.toPixelY0(this.pin2Dy0.getYVal())), this.pin2Dy1.setY(this.pin2Dy1.getYVal(),this.imageView.toPixelY0(this.pin2Dy1.getYVal())))});c(c$,"resetX",function(a){this.setWidgetX(a,a.getXVal())},"JSV.common.PlotWidget");c(c$,"resetY",function(a){this.setWidgetY(a,a.getYVal())},"JSV.common.PlotWidget");c(c$,"setPinSliderPositions",function(a){this.pin1Dx0.yPixel0=this.pin1Dx1.yPixel0=this.pin1Dx01.yPixel0=this.yPixel0-5;this.pin1Dx0.yPixel1=this.pin1Dx1.yPixel1=this.pin1Dx01.yPixel1=this.yPixel0;this.cur1D2x1.yPixel1=this.cur1D2x2.yPixel1= this.yPixel0-5;this.cur1D2x1.yPixel0=this.cur1D2x2.yPixel0=this.yPixel1+6;null==this.imageView?(this.pin1Dy0.xPixel0=this.pin1Dy1.xPixel0=this.pin1Dy01.xPixel0=this.xPixel1+5,this.pin1Dy0.xPixel1=this.pin1Dy1.xPixel1=this.pin1Dy01.xPixel1=this.xPixel1):(this.pin1Dy0.xPixel0=this.pin1Dy1.xPixel0=this.pin1Dy01.xPixel0=this.imageView.xPixel1+15,this.pin1Dy0.xPixel1=this.pin1Dy1.xPixel1=this.pin1Dy01.xPixel1=this.imageView.xPixel1+10,this.pin2Dx0.yPixel0=this.pin2Dx1.yPixel0=this.pin2Dx01.yPixel0=this.yPixel0- 5,this.pin2Dx0.yPixel1=this.pin2Dx1.yPixel1=this.pin2Dx01.yPixel1=this.yPixel0,this.pin2Dy0.xPixel0=this.pin2Dy1.xPixel0=this.pin2Dy01.xPixel0=this.imageView.xPixel1+5,this.pin2Dy0.xPixel1=this.pin2Dy1.xPixel1=this.pin2Dy01.xPixel1=this.imageView.xPixel1,this.cur2Dx0.yPixel0=this.cur2Dx1.yPixel0=this.yPixel1+6,this.cur2Dx0.yPixel1=this.cur2Dx1.yPixel1=this.yPixel0-5,this.cur2Dx0.yPixel0=this.cur2Dx1.yPixel0=this.yPixel1+6,this.cur2Dx1.yPixel1=this.cur2Dx1.yPixel1=this.yPixel0-5,this.cur2Dy.xPixel0= -a?x((this.xPixel1+this.imageView.xPixel0)/2):this.imageView.xPixel0-6,this.cur2Dy.xPixel1=this.imageView.xPixel1+5)},"~B");c(c$,"setDerivedPins",function(a){this.widgetsAreSet=!0;null!=this.gs2dLinkedX&&this.cur1D2x1.setX(this.cur1D2x1.getXVal(),this.toPixelX(this.cur1D2x1.getXVal()));null!=this.gs2dLinkedY&&this.cur1D2x2.setX(this.cur1D2x2.getXVal(),this.toPixelX(this.cur1D2x2.getXVal()));this.pin1Dx01.setX(0,x((this.pin1Dx0.xPixel0+this.pin1Dx1.xPixel0)/2));this.pin1Dy01.setY(0,x((this.pin1Dy0.yPixel0+ +a?v((this.xPixel1+this.imageView.xPixel0)/2):this.imageView.xPixel0-6,this.cur2Dy.xPixel1=this.imageView.xPixel1+5)},"~B");c(c$,"setDerivedPins",function(a){this.widgetsAreSet=!0;null!=this.gs2dLinkedX&&this.cur1D2x1.setX(this.cur1D2x1.getXVal(),this.toPixelX(this.cur1D2x1.getXVal()));null!=this.gs2dLinkedY&&this.cur1D2x2.setX(this.cur1D2x2.getXVal(),this.toPixelX(this.cur1D2x2.getXVal()));this.pin1Dx01.setX(0,v((this.pin1Dx0.xPixel0+this.pin1Dx1.xPixel0)/2));this.pin1Dy01.setY(0,v((this.pin1Dy0.yPixel0+ this.pin1Dy1.yPixel0)/2));this.pin1Dx01.setEnabled(Math.min(this.pin1Dx0.xPixel0,this.pin1Dx1.xPixel0)>this.xPixel0||Math.max(this.pin1Dx0.xPixel0,this.pin1Dx1.xPixel0)Math.min(this.toPixelY(this.getScale().minY),this.toPixelY(this.getScale().maxY))||Math.max(this.pin1Dy0.yPixel0,this.pin1Dy1.yPixel0)d&&(j=a,a=d,d=j);b>c&&(j=b,b=c,c=j);j=!f&&null!=this.imageView&&(this.imageView.minZ!=b||this.imageView.maxZ!=c);if(this.zoomEnabled||j){if(e){if(!this.getScale().isInRangeX(a)&&!this.getScale().isInRangeX(d))return;this.getScale().isInRangeX(a)? -this.getScale().isInRangeX(d)||(d=this.getScale().maxX):a=this.getScale().minX}this.pd.setTaintedAll();e=this.viewData.getScaleData();var p=E(this.nSpectra,0),n=E(this.nSpectra,0);this.graphsTemp.clear();var m=this.getSpectrumAt(0).getSubSpectra(),m=null==m||2==m.size();if(this.getSpectrumAt(0).is1D()&&!m){if(this.graphsTemp.addLast(this.getSpectrum()),!JSV.common.ScaleData.setDataPointIndices(this.graphsTemp,a,d,3,p,n))return}else if(!JSV.common.ScaleData.setDataPointIndices(this.spectra,a,d,3,p, -n))return;if(m=b==c)f=!j&&f?f=this.getScale().spectrumScaleFactor:1,1E-4>Math.abs(f-1)&&(b=this.getScale().minYOnScale,c=this.getScale().maxYOnScale);f=null;if(m||h)this.getCurrentView(),f=this.viewData.getNewScales(this.iSpectrumSelected,m,b,c);this.getView(a,d,b,c,p,n,e,f);this.setXPixelMovedTo(1E10,1.7976931348623157E308,0,0);this.setWidgetX(this.pin1Dx0,a);this.setWidgetX(this.pin1Dx1,d);this.setWidgetY(this.pin1Dy0,b);this.setWidgetY(this.pin1Dy1,c);null==this.imageView?this.updateDialogs(): +this.pin1Dx0.getXVal();this.cur2Dx0.setX(b,this.imageView.toPixelX(b));b=this.pin1Dx1.getXVal();this.cur2Dx1.setX(b,this.imageView.toPixelX(b));b=this.imageView.toX(this.imageView.xPixel0);this.pin2Dx0.setX(b,this.imageView.toPixelX0(b));b=this.imageView.toX(this.imageView.xPixel1);this.pin2Dx1.setX(b,this.imageView.toPixelX0(b));this.pin2Dx01.setX(0,v((this.pin2Dx0.xPixel0+this.pin2Dx1.xPixel0)/2));b=this.imageView.imageHeight-1-this.imageView.yView1;this.pin2Dy0.setY(b,this.imageView.toPixelY0(b)); +b=this.imageView.imageHeight-1-this.imageView.yView2;this.pin2Dy1.setY(b,this.imageView.toPixelY0(b));this.pin2Dy01.setY(0,v((this.pin2Dy0.yPixel0+this.pin2Dy1.yPixel0)/2));this.cur2Dy.yPixel0=this.cur2Dy.yPixel1=this.imageView.subIndexToPixelY(a);this.pin2Dx01.setEnabled(Math.min(this.pin2Dx0.xPixel0,this.pin2Dx1.xPixel0)!=this.imageView.xPixel0||Math.max(this.pin2Dx0.xPixel0,this.pin2Dx1.xPixel1)!=this.imageView.xPixel1);this.pin2Dy01.setEnabled(Math.min(this.pin2Dy0.yPixel0,this.pin2Dy1.yPixel0)!= +this.yPixel0||Math.max(this.pin2Dy0.yPixel0,this.pin2Dy1.yPixel1)!=this.yPixel1)}},"~N");c(c$,"doZoom",function(a,b,d,c,f,g,e,j,l){a==d?(a=this.getScale().minXOnScale,d=this.getScale().maxXOnScale):this.isLinked&&j&&this.pd.doZoomLinked(this,a,d,l,e,f);a>d&&(j=a,a=d,d=j);b>c&&(j=b,b=c,c=j);j=!f&&null!=this.imageView&&(this.imageView.minZ!=b||this.imageView.maxZ!=c);if(this.zoomEnabled||j){if(e){if(!this.getScale().isInRangeX(a)&&!this.getScale().isInRangeX(d))return;this.getScale().isInRangeX(a)? +this.getScale().isInRangeX(d)||(d=this.getScale().maxX):a=this.getScale().minX}this.pd.setTaintedAll();e=this.viewData.getScaleData();var p=E(this.nSpectra,0),m=E(this.nSpectra,0);this.graphsTemp.clear();var n=this.getSpectrumAt(0).getSubSpectra(),n=null==n||2==n.size();if(this.getSpectrumAt(0).is1D()&&!n){if(this.graphsTemp.addLast(this.getSpectrum()),!JSV.common.ScaleData.setDataPointIndices(this.graphsTemp,a,d,3,p,m))return}else if(!JSV.common.ScaleData.setDataPointIndices(this.spectra,a,d,3,p, +m))return;if(n=b==c)f=!j&&f?f=this.getScale().spectrumScaleFactor:1,1E-4>Math.abs(f-1)&&(b=this.getScale().minYOnScale,c=this.getScale().maxYOnScale);f=null;if(n||g)this.getCurrentView(),f=this.viewData.getNewScales(this.iSpectrumSelected,n,b,c);this.getView(a,d,b,c,p,m,e,f);this.setXPixelMovedTo(1E10,1.7976931348623157E308,0,0);this.setWidgetX(this.pin1Dx0,a);this.setWidgetX(this.pin1Dx1,d);this.setWidgetY(this.pin1Dy0,b);this.setWidgetY(this.pin1Dy1,c);null==this.imageView?this.updateDialogs(): (a=this.getSpectrumAt(0).getSubIndex(),d=this.imageView.fixSubIndex(a),d!=a&&this.setCurrentSubSpectrum(d),j&&this.update2dImage(!1));l&&this.addCurrentZoom()}},"~N,~N,~N,~N,~B,~B,~B,~B,~B");c(c$,"updateDialogs",function(){this.updateDialog(JSV.common.Annotation.AType.PeakList,-1);this.updateDialog(JSV.common.Annotation.AType.Measurements,-1)});c(c$,"setCurrentSubSpectrum",function(a){var b=this.getSpectrumAt(0);a=b.setCurrentSubSpectrum(a);b.isForcedSubset()&&this.viewData.setXRangeForSubSpectrum(this.getSpectrum().getXYCoords()); this.pd.notifySubSpectrumChange(a,this.getSpectrum())},"~N");c(c$,"addCurrentZoom",function(){if(this.viewList.size()>this.currentZoomIndex+1)for(var a=this.viewList.size()-1;a>this.currentZoomIndex;a--)this.viewList.removeItemAt(a);this.viewList.addLast(this.viewData);this.currentZoomIndex++});c(c$,"setZoomTo",function(a){this.currentZoomIndex=a;this.viewData=this.viewList.get(a);this.resetPinsFromView()},"~N");c(c$,"clearViews",function(){this.isLinked&&this.pd.clearLinkViews(this);this.setZoom(0, -0,0,0);for(var a=this.viewList.size();1<=--a;)this.viewList.removeItemAt(a)});c(c$,"drawAll",function(a,b,d,c,f,h,e){this.g2d=this.pd.g2d;this.gMain=a;var j=this.getSpectrumAt(0),l=j.getSubIndex();this.is2DSpectrum=!j.is1D()&&(this.isLinked||this.pd.getBoolean(JSV.common.ScriptToken.DISPLAY2D))&&(null!=this.imageView||this.get2DImage(j));null!=this.imageView&&h&&(this.pd.isPrinting&&this.g2d!==this.pd.g2d0&&this.g2d.newGrayScaleImage(a,this.image2D,this.imageView.imageWidth,this.imageView.imageHeight, -this.imageView.getBuffer()),this.is2DSpectrum&&this.setPositionForFrame(c),this.draw2DImage());var p=this.stackSelected||!this.showAllStacked?this.iSpectrumSelected:-1,n=!this.showAllStacked||1==this.nSpectra||0<=p,j=null==this.imageView||this.pd.display1D,m=0<=p?1:0,q=this.getFixedSelectedSpectrumIndex();if(j&&h&&(this.fillBox(a,this.xPixel0,this.yPixel0,this.xPixel1,this.yPixel1,JSV.common.ScriptToken.PLOTAREACOLOR),0>p)){n=!0;for(p=0;pm||0<=this.iSpectrumSelected))this.$haveSelectedSpectrum=!0;this.haveSingleYScale=this.showAllStacked&&1this.iSpectrumSelected||this.iSpectrumSelected==p&&this.pd.isCurrentGraphSet(this))&&this.pd.titleOn&&!this.pd.titleDrawn)this.pd.drawTitle(a,this.height,this.width,this.pd.getDrawTitle(this.pd.isPrinting)),this.pd.titleDrawn=!0;this.haveSingleYScale&&p==q&& -(this.pd.getBoolean(JSV.common.ScriptToken.YSCALEON)&&this.drawYScale(a,this),this.pd.getBoolean(JSV.common.ScriptToken.YUNITSON)&&this.drawYUnits(a))}var v=u.isContinuous(),w=(1f||2147483647==f)&&this.drawHandle(a,this.xPixelPlot1,this.yPixelPlot0,3,!1),0c){var e=d;d=c;c=e}d=this.fixX(d);c=this.fixX(c);3>c-d&&(d-=2,c+=2);null!=b&&b.setPixelRange(d,c);0==h?this.fillBox(a,d,this.yPixel0,c,this.yPixel0+this.yPixels,f):(this.fillBox(a,d,this.yPixel0+2,c,this.yPixel0+5,f),null!=b&&(d=x((d+c)/2),this.fillBox(a,d-1,this.yPixel0+2,d+1,this.yPixel0+2+h,f)))},"~O,JSV.common.PeakInfo,~N,~N,JSV.common.ScriptToken,~N");c(c$,"drawIntegration",function(a,b,d,c,f){null!=f&&(this.haveIntegralDisplayed(b)&&this.drawPlot(a,b,this.spectra.get(b),!0,d,!1,f,!0,!1, -!1),this.drawIntegralValues(a,b,d));b=this.getIntegrationRatios(b);null!=b&&this.drawAnnotations(a,b,JSV.common.ScriptToken.INTEGRALPLOTCOLOR)},"~O,~N,~N,~B,JSV.common.IntegralData,~B,~B");c(c$,"getMeasurements",function(a,b){var d=this.getDialog(a,b);return null==d||0==d.getData().size()||!d.getState()?null:d.getData()},"JSV.common.Annotation.AType,~N");c(c$,"drawPlot",function(a,b,d,c,f,h,e,j,l,p){var n=null==e?d.getXYCoords():this.getIntegrationGraph(b).getXYCoords(),m=null!=e;e=m?e.getBitSet(): -null;j=l||null!=d.fillColor&&j;h=h?-2:m?-1:!this.allowStacking?0:b;this.setPlotColor(a,h);var q=!0,k=this.toPixelY(0);m?j=(new Boolean(j&k==this.fixY(k))).valueOf():k=this.fixY(k);var s=m||j?this.pd.getColor(JSV.common.ScriptToken.INTEGRALPLOTCOLOR):null;d=null==s||null==d.fillColor?s:d.fillColor;s=this.viewData.getStartingPointIndex(b);b=this.viewData.getEndingPointIndex(b);if(c&&!p){b--;(p=(m||null!=this.pendingIntegral)&&this.g2d.canDoLineTo())&&this.g2d.doStroke(a,!0);var t=!1;for(c=s;c<=b;c++){var u= -n[c],v=n[c+1],w=m?this.toPixelYint(u.getYVal()):this.toPixelY(u.getYVal());if(-2147483648!=w){var x=m?this.toPixelYint(v.getYVal()):this.toPixelY(v.getYVal());if(-2147483648!=x){var u=u.getXVal(),y=v.getXVal(),v=this.toPixelX(u),z=this.toPixelX(y),w=this.fixY(f+w),x=this.fixY(f+x);m&&(c==s&&(this.xPixelPlot1=v,this.yPixelPlot0=w),this.xPixelPlot0=z,this.yPixelPlot1=x);if(!(z==v&&w==x))if(j&&l&&this.pendingIntegral.overlaps(u,y))null!=d&&(this.g2d.doStroke(a,!1),this.g2d.setGraphicsColor(a,d)),this.g2d.fillRect(a, -Math.min(v,z),Math.min(k,w),Math.max(1,Math.abs(z-v)),Math.abs(k-w)),null!=d&&(this.g2d.doStroke(a,!1),this.g2d.doStroke(a,!0),t=!1,this.setPlotColor(a,h));else if(!(w==x&&w==this.yPixel0)&&(null!=e&&e.get(c)!=q&&(q=e.get(c),p&&t&&(this.g2d.doStroke(a,!1),this.g2d.doStroke(a,!0),t=!1),!this.pd.isPrinting&&0!=this.pd.integralShiftMode?this.setPlotColor(a,0):q?this.setColorFromToken(a,JSV.common.ScriptToken.INTEGRALPLOTCOLOR):this.setPlotColor(a,-3)),!this.pd.isPrinting||q))t?this.g2d.lineTo(a,z,x): -(this.g2d.drawLine(a,v,w,z,x),t=p)}}}p&&this.g2d.doStroke(a,!1)}else{for(c=s;c<=b;c++)l=n[c],x=this.toPixelY(l.getYVal()),-2147483648!=x&&(v=this.toPixelX(l.getXVal()),w=this.toPixelY(Math.max(this.getScale().minYOnScale,0)),w=this.fixY(f+w),x=this.fixY(f+x),w==x&&(w==this.yPixel0||w==this.yPixel1)||(p?this.g2d.fillRect(a,v-1,x-1,3,3):this.g2d.drawLine(a,v,w,v,x)));!p&&this.getScale().isYZeroOnScale()&&(f+=this.toPixelY(this.getScale().spectrumYRef),f==this.fixY(f)&&this.g2d.drawLine(a,this.xPixel1, -f,this.xPixel0,f))}},"~O,~N,JSV.common.Spectrum,~B,~N,~B,JSV.common.IntegralData,~B,~B,~B");c(c$,"drawFrame",function(a,b,d,c,f){if(!this.pd.gridOn||this.pd.isPrinting)if(this.setColorFromToken(a,JSV.common.ScriptToken.GRIDCOLOR),this.g2d.drawRect(a,this.xPixel0,this.yPixel0,this.xPixels,this.yPixels),this.pd.isPrinting)return;this.setCurrentBoxColor(a);f&&(0<=b&&(this.setPlotColor(a,b),this.fillArrow(a,3,this.xVArrows,x((this.yPixel00+this.yPixel11)/2)-9,!0),this.fillArrow(a,4,this.xVArrows,x((this.yPixel00+ -this.yPixel11)/2)+9,!0),this.setCurrentBoxColor(a)),this.fillArrow(a,3,this.xVArrows,x((this.yPixel00+this.yPixel11)/2)-9,!1),this.fillCircle(a,this.xVArrows,x((this.yPixel00+this.yPixel11)/2),!1),this.fillArrow(a,4,this.xVArrows,x((this.yPixel00+this.yPixel11)/2)+9,!1));if(null==this.imageView&&d){b=this.xPixel00+10;d=this.xPixel11-10;f=this.yPixel00+1;var e=this.yPixel11-2;this.g2d.drawLine(a,b,f,d,f);this.g2d.drawLine(a,d,f,d,e);this.g2d.drawLine(a,b,e,d,e);this.splitterX=this.closerX=-2147483648; +0,0,0);for(var a=this.viewList.size();1<=--a;)this.viewList.removeItemAt(a)});c(c$,"drawAll",function(a,b,d,c,f,g,e){this.g2d=this.pd.g2d;this.gMain=a;var j=this.getSpectrumAt(0),l=j.getSubIndex();this.is2DSpectrum=!j.is1D()&&(this.isLinked||this.pd.getBoolean(JSV.common.ScriptToken.DISPLAY2D))&&(null!=this.imageView||this.get2DImage(j));null!=this.imageView&&g&&(this.pd.isPrinting&&this.g2d!==this.pd.g2d0&&this.g2d.newGrayScaleImage(a,this.image2D,this.imageView.imageWidth,this.imageView.imageHeight, +this.imageView.getBuffer()),this.is2DSpectrum&&this.setPositionForFrame(c),this.draw2DImage());var p=this.stackSelected||!this.showAllStacked?this.iSpectrumSelected:-1,m=!this.showAllStacked||1==this.nSpectra||0<=p,j=null==this.imageView||this.pd.display1D,n=0<=p?1:0,q=this.getFixedSelectedSpectrumIndex();if(j&&g&&(this.fillBox(a,this.xPixel0,this.yPixel0,this.xPixel1,this.yPixel1,JSV.common.ScriptToken.PLOTAREACOLOR),0>p)){m=!0;for(p=0;pn||0<=this.iSpectrumSelected))this.$haveSelectedSpectrum=!0;this.haveSingleYScale=this.showAllStacked&&1this.iSpectrumSelected||this.iSpectrumSelected==p&&this.pd.isCurrentGraphSet(this))&&this.pd.titleOn&&!this.pd.titleDrawn)this.pd.drawTitle(a,this.height,this.width,this.pd.getDrawTitle(this.pd.isPrinting)),this.pd.titleDrawn=!0;this.haveSingleYScale&&p==q&& +(this.pd.getBoolean(JSV.common.ScriptToken.YSCALEON)&&this.drawYScale(a,this),this.pd.getBoolean(JSV.common.ScriptToken.YUNITSON)&&this.drawYUnits(a))}var w=t.isContinuous(),v=(1f||2147483647==f)&&this.drawHandle(a,this.xPixelPlot1,this.yPixelPlot0,3,!1),0c){var e=d;d=c;c=e}d=this.fixX(d);c=this.fixX(c);3>c-d&&(d-=2,c+=2);null!=b&&b.setPixelRange(d,c);0==g?this.fillBox(a,d,this.yPixel0,c,this.yPixel0+this.yPixels,f):(this.fillBox(a,d,this.yPixel0+2,c,this.yPixel0+5,f),null!=b&&(d=v((d+c)/2),this.fillBox(a,d-1,this.yPixel0+2,d+1,this.yPixel0+2+g,f)))},"~O,JSV.common.PeakInfo,~N,~N,JSV.common.ScriptToken,~N");c(c$,"drawIntegration",function(a,b,d,c,f){null!=f&&(this.haveIntegralDisplayed(b)&&this.drawPlot(a,b,this.spectra.get(b),!0,d,!1,f,!0,!1, +!1),this.drawIntegralValues(a,b,d));b=this.getIntegrationRatios(b);null!=b&&this.drawAnnotations(a,b,JSV.common.ScriptToken.INTEGRALPLOTCOLOR)},"~O,~N,~N,~B,JSV.common.IntegralData,~B,~B");c(c$,"getMeasurements",function(a,b){var d=this.getDialog(a,b);return null==d||0==d.getData().size()||!d.getState()?null:d.getData()},"JSV.common.Annotation.AType,~N");c(c$,"drawPlot",function(a,b,d,c,f,g,e,j,l,p){var m=null==e?d.getXYCoords():this.getIntegrationGraph(b).getXYCoords(),n=null!=e;e=n?e.getBitSet(): +null;j=l||null!=d.fillColor&&j;g=g?-2:n?-1:!this.allowStacking?0:b;this.setPlotColor(a,g);var q=!0,k=this.toPixelY(0);n?j=(new Boolean(j&k==this.fixY(k))).valueOf():k=this.fixY(k);var r=n||j?this.pd.getColor(JSV.common.ScriptToken.INTEGRALPLOTCOLOR):null;d=null==r||null==d.fillColor?r:d.fillColor;r=this.viewData.getStartingPointIndex(b);b=this.viewData.getEndingPointIndex(b);if(c&&!p){b--;(p=(n||null!=this.pendingIntegral)&&this.g2d.canDoLineTo())&&this.g2d.doStroke(a,!0);var s=!1;for(c=r;c<=b;c++){var t= +m[c],w=m[c+1],v=n?this.toPixelYint(t.getYVal()):this.toPixelY(t.getYVal());if(-2147483648!=v){var x=n?this.toPixelYint(w.getYVal()):this.toPixelY(w.getYVal());if(-2147483648!=x){var t=t.getXVal(),z=w.getXVal(),w=this.toPixelX(t),y=this.toPixelX(z),v=this.fixY(f+v),x=this.fixY(f+x);n&&(c==r&&(this.xPixelPlot1=w,this.yPixelPlot0=v),this.xPixelPlot0=y,this.yPixelPlot1=x);if(!(y==w&&v==x))if(j&&l&&this.pendingIntegral.overlaps(t,z))null!=d&&(this.g2d.doStroke(a,!1),this.g2d.setGraphicsColor(a,d)),this.g2d.fillRect(a, +Math.min(w,y),Math.min(k,v),Math.max(1,Math.abs(y-w)),Math.abs(k-v)),null!=d&&(this.g2d.doStroke(a,!1),this.g2d.doStroke(a,!0),s=!1,this.setPlotColor(a,g));else if(!(v==x&&v==this.yPixel0)&&(null!=e&&e.get(c)!=q&&(q=e.get(c),p&&s&&(this.g2d.doStroke(a,!1),this.g2d.doStroke(a,!0),s=!1),!this.pd.isPrinting&&0!=this.pd.integralShiftMode?this.setPlotColor(a,0):q?this.setColorFromToken(a,JSV.common.ScriptToken.INTEGRALPLOTCOLOR):this.setPlotColor(a,-3)),!this.pd.isPrinting||q))s?this.g2d.lineTo(a,y,x): +(this.g2d.drawLine(a,w,v,y,x),s=p)}}}p&&this.g2d.doStroke(a,!1)}else{for(c=r;c<=b;c++)l=m[c],x=this.toPixelY(l.getYVal()),-2147483648!=x&&(w=this.toPixelX(l.getXVal()),v=this.toPixelY(Math.max(this.getScale().minYOnScale,0)),v=this.fixY(f+v),x=this.fixY(f+x),v==x&&(v==this.yPixel0||v==this.yPixel1)||(p?this.g2d.fillRect(a,w-1,x-1,3,3):this.g2d.drawLine(a,w,v,w,x)));!p&&this.getScale().isYZeroOnScale()&&(f+=this.toPixelY(this.getScale().spectrumYRef),f==this.fixY(f)&&this.g2d.drawLine(a,this.xPixel1, +f,this.xPixel0,f))}},"~O,~N,JSV.common.Spectrum,~B,~N,~B,JSV.common.IntegralData,~B,~B,~B");c(c$,"drawFrame",function(a,b,d,c,f){if(!this.pd.gridOn||this.pd.isPrinting)if(this.setColorFromToken(a,JSV.common.ScriptToken.GRIDCOLOR),this.g2d.drawRect(a,this.xPixel0,this.yPixel0,this.xPixels,this.yPixels),this.pd.isPrinting)return;this.setCurrentBoxColor(a);f&&(0<=b&&(this.setPlotColor(a,b),this.fillArrow(a,3,this.xVArrows,v((this.yPixel00+this.yPixel11)/2)-9,!0),this.fillArrow(a,4,this.xVArrows,v((this.yPixel00+ +this.yPixel11)/2)+9,!0),this.setCurrentBoxColor(a)),this.fillArrow(a,3,this.xVArrows,v((this.yPixel00+this.yPixel11)/2)-9,!1),this.fillCircle(a,this.xVArrows,v((this.yPixel00+this.yPixel11)/2),!1),this.fillArrow(a,4,this.xVArrows,v((this.yPixel00+this.yPixel11)/2)+9,!1));if(null==this.imageView&&d){b=this.xPixel00+10;d=this.xPixel11-10;f=this.yPixel00+1;var g=this.yPixel11-2;this.g2d.drawLine(a,b,f,d,f);this.g2d.drawLine(a,d,f,d,g);this.g2d.drawLine(a,b,g,d,g);this.splitterX=this.closerX=-2147483648; this.drawBox(a,d-10,f,d,f+10,null);this.g2d.drawLine(a,d-10,f+10,d,f);this.g2d.drawLine(a,d,f+10,d-10,f);this.closerX=d-10;this.closerY=f;c&&(d-=10,this.fillBox(a,d-10,f,d,f+10,null),this.splitterX=d-10,this.splitterY=f)}},"~O,~N,~B,~B,~B");c(c$,"drawGrid",function(a){if(this.pd.gridOn&&null==this.imageView){this.setColorFromToken(a,JSV.common.ScriptToken.GRIDCOLOR);var b;if(Double.isNaN(this.getScale().firstX)){b=this.getScale().maxXOnScale+this.getScale().steps[0]/2;for(var d=this.getScale().minXOnScale;d< b;d+=this.getScale().steps[0]){var c=this.toPixelX(d);this.g2d.drawLine(a,c,this.yPixel0,c,this.yPixel1)}}else{b=1.0001*this.getScale().maxXOnScale;for(d=this.getScale().firstX;d<=b;d+=this.getScale().steps[0])c=this.toPixelX(d),this.g2d.drawLine(a,c,this.yPixel0,c,this.yPixel1)}for(d=this.getScale().firstY;dm;m++){1==m&&JSV.common.ScaleData.fixScale(this.mapX);for(var q=1E10,k=p;k<=n;k+=this.getScale().steps[0]){var j=b.toPixelX(k),s=Double.$valueOf(k),t;switch(m){case 0:t=JU.DF.formatDecimalDbl(k,d);this.mapX.put(s,t);this.drawTick(a,j,f,e,b);j=Math.abs(q-k);q=this.getScale().minorTickCounts[0];if(0!=q){j/=q;for(t=1;tj;j++){1==j&&JSV.common.ScaleData.fixScale(this.mapX);for(var l=d.firstY;ln;n++){1==n&&JSV.common.ScaleData.fixScale(this.mapX);for(var q=1E10,k=p;k<=m;k+=this.getScale().steps[0]){var j=b.toPixelX(k),r=Double.$valueOf(k),s;switch(n){case 0:s=JU.DF.formatDecimalDbl(k,d);this.mapX.put(r,s);this.drawTick(a,j,f,g,b);j=Math.abs(q-k);q=this.getScale().minorTickCounts[0];if(0!=q){j/=q;for(s=1;sj;j++){1==j&&JSV.common.ScaleData.fixScale(this.mapX);for(var l=d.firstY;l Math.abs(a-(d+5))&&5>Math.abs(b-(c+5))},"~N,~N,~N,~N");c(c$,"setCoordStr",function(a,b){var d=JU.DF.formatDecimalDbl(a,this.getScale().precision[0]);this.pd.coordStr="("+d+(this.haveSingleYScale||0<=this.iSpectrumSelected?", "+JU.DF.formatDecimalDbl(b,this.getScale().precision[1]):"")+")";return d},"~N,~N");c(c$,"setStartupPinTip",function(){if(null==this.pd.startupPinTip)return!1;this.pd.setToolTipText(this.pd.startupPinTip);this.pd.startupPinTip=null;return!0});c(c$,"get2DYLabel",function(a,b){var d= -this.getSpectrumAt(0).getSubSpectra().get(a);return JU.DF.formatDecimalDbl(d.getY2DPPM(),b)+" PPM"+(d.y2DUnits.equals("HZ")?" ("+JU.DF.formatDecimalDbl(d.getY2D(),b)+" HZ) ":"")},"~N,~N");c(c$,"isOnSpectrum",function(a,b,d){var c=null,f=!0,e=0>d;if(e){c=this.getDialog(JSV.common.Annotation.AType.Integration,-1);if(null==c)return!1;c=c.getData().getXYCoords();d=this.getFixedSelectedSpectrumIndex()}else{this.setScale(d);var r=this.spectra.get(d),c=r.xyCoords,f=r.isContinuous()}var r=d*G(this.yPixels* -(this.yStackOffsetPercent/100)),j=this.viewData.getStartingPointIndex(d);d=this.viewData.getEndingPointIndex(d);if(f)for(f=j;fr&&2>Math.abs(c-b))return!0;var j=f-a;if(2>Math.abs(j)&&2>Math.abs(e-b))return!0;var l=c-e;if(2d;if(g){c=this.getDialog(JSV.common.Annotation.AType.Integration,-1);if(null==c)return!1;c=c.getData().getXYCoords();d=this.getFixedSelectedSpectrumIndex()}else{this.setScale(d);var e=this.spectra.get(d),c=e.xyCoords,f=e.isContinuous()}var e=d*I(this.yPixels* +(this.yStackOffsetPercent/100)),j=this.viewData.getStartingPointIndex(d);d=this.viewData.getEndingPointIndex(d);if(f)for(f=j;fu&&2>Math.abs(c-b))return!0;var j=f-a;if(2>Math.abs(j)&&2>Math.abs(e-b))return!0;var l=c-e;if(2a.size()&&null==this.lastAnnotation&&(this.lastAnnotation=this.getAnnotation((this.getScale().maxXOnScale+this.getScale().minXOnScale)/2,(this.getScale().maxYOnScale+this.getScale().minYOnScale)/ -2,b,!1,!1,0,0));var d=this.getAnnotation(a,this.lastAnnotation);if(null==d)return null;if(null==this.annotations&&1==a.size()&&'"'==a.get(0).charAt(0))return d=d.text,this.getSpectrum().setTitle(d),d;this.lastAnnotation=d;this.addAnnotation(d,!1);return null},"JU.Lst,~S");c(c$,"addHighlight",function(a,b,d,c){null==d&&(d=this.getSpectrumAt(0));a=I(JSV.common.GraphSet.Highlight,this,null,a,b,d,null==c?this.pd.getColor(JSV.common.ScriptToken.HIGHLIGHTCOLOR):c);this.highlights.contains(a)||this.highlights.addLast(a)}, +2,b,!1,!1,0,0));var d=this.getAnnotation(a,this.lastAnnotation);if(null==d)return null;if(null==this.annotations&&1==a.size()&&'"'==a.get(0).charAt(0))return d=d.text,this.getSpectrum().setTitle(d),d;this.lastAnnotation=d;this.addAnnotation(d,!1);return null},"JU.Lst,~S");c(c$,"addHighlight",function(a,b,d,c){null==d&&(d=this.getSpectrumAt(0));a=L(JSV.common.GraphSet.Highlight,this,null,a,b,d,null==c?this.pd.getColor(JSV.common.ScriptToken.HIGHLIGHTCOLOR):c);this.highlights.contains(a)||this.highlights.addLast(a)}, "~N,~N,JSV.common.Spectrum,javajs.api.GenericColor");c(c$,"addPeakHighlight",function(a){for(var b=this.spectra.size();0<=--b;){var d=this.spectra.get(b);this.removeAllHighlights(d);if(!(null==a||a.isClearAll()||d!==a.spectrum)){var c=a.toString();if(null!=c){var f=JU.PT.getQuotedAttribute(c,"xMin"),c=JU.PT.getQuotedAttribute(c,"xMax");if(null==f||null==c)break;f=JU.PT.parseFloat(f);c=JU.PT.parseFloat(c);if(Float.isNaN(f)||Float.isNaN(c))break;this.pd.addHighlight(this,f,c,d,200,140,140,100);d.setSelectedPeak(a); !this.getScale().isInRangeX(f)&&!(this.getScale().isInRangeX(c)||fa?(this this.getDialog(a,-1);if(null==d)null!=b&&b!==Boolean.TRUE||(a===JSV.common.Annotation.AType.PeakList||a===JSV.common.Annotation.AType.Integration||a===JSV.common.Annotation.AType.Measurements)&&this.pd.showDialog(a);else if(null==b)d.isDialog()?d.setVisible(!d.isVisible()):this.pd.showDialog(a);else{var c=b.booleanValue();c&&d.setState(c);(c||d.isDialog())&&this.pd.showDialog(a);!c&&d.isDialog()&&d.setVisible(!1)}},"JSV.common.Annotation.AType,Boolean");c(c$,"checkIntegralParams",function(a,b){if(!this.getSpectrum().canIntegrate()|| this.reversePlot)return!1;var d=this.getFixedSelectedSpectrumIndex(),c=this.getDialog(JSV.common.Annotation.AType.Integration,-1);if(null==b)return!0;switch(JSV.common.IntegralData.IntMode.getMode(b.toUpperCase())){case JSV.common.IntegralData.IntMode.NA:return!1;case JSV.common.IntegralData.IntMode.CLEAR:this.integrate(d,null);this.integrate(d,a);break;case JSV.common.IntegralData.IntMode.ON:null==c?this.integrate(d,a):c.setState(!0);break;case JSV.common.IntegralData.IntMode.OFF:null!=c&&c.setState(!1); break;case JSV.common.IntegralData.IntMode.TOGGLE:null==c?this.integrate(d,a):c.setState(!c.getState());break;case JSV.common.IntegralData.IntMode.AUTO:null==c&&(this.checkIntegralParams(a,"ON"),c=this.getDialog(JSV.common.Annotation.AType.Integration,-1));null!=c&&c.getData().autoIntegrate();break;case JSV.common.IntegralData.IntMode.LIST:this.pd.showDialog(JSV.common.Annotation.AType.Integration);break;case JSV.common.IntegralData.IntMode.MARK:null==c&&(this.checkIntegralParams(a,"ON"),c=this.getDialog(JSV.common.Annotation.AType.Integration, --1));null!=c&&c.getData().addMarks(b.substring(4).trim());break;case JSV.common.IntegralData.IntMode.MIN:if(null!=c)try{var f=Double.parseDouble(JSV.common.ScriptToken.getTokens(b).get(1));c.getData().setMinimumIntegral(f)}catch(e){if(!y(e,Exception))throw e;}break;case JSV.common.IntegralData.IntMode.UPDATE:null!=c&&c.getData().update(a)}this.updateDialog(JSV.common.Annotation.AType.Integration,-1);return!0},"JSV.common.Parameters,~S");c(c$,"setSpectrum",function(a,b){b&&1a||(a=b.getPeakList().get(a),b.setSelectedPeak(a), this.setCoordClicked(a.getXPixel(),a.getX(),0),this.pd.notifyPeakPickedListeners(new JSV.common.PeakPickEvent(this.jsvp,this.pd.coordClicked,a)))},"~N");c(c$,"scaleSelectedBy",function(a){for(var b=this.bsSelected.nextSetBit(0);0<=b;b=this.bsSelected.nextSetBit(b+1))this.viewData.scaleSpectrum(b,a)},"~N");e(c$,"toString",function(){return"gs: "+this.nSpectra+" "+this.spectra+" "+this.spectra.get(0).getFilePath()});c(c$,"setXPointer",function(a,b){null!=a&&this.setSpectrumClicked(this.getSpectrumIndex(a)); this.xValueMovedTo=this.lastClickX=b;this.lastPixelX=this.toPixelX(b);this.setXPixelMovedTo(b,1.7976931348623157E308,0,0);this.yValueMovedTo=NaN},"JSV.common.Spectrum,~N");c(c$,"setXPointer2",function(a,b){null!=a&&this.setSpectrumClicked(this.getSpectrumIndex(a));this.setXPixelMovedTo(1.7976931348623157E308,b,0,0)},"JSV.common.Spectrum,~N");c(c$,"hasCurrentMeasurement",function(a){return null!=(a===JSV.common.Annotation.AType.Integration?this.selectedSpectrumIntegrals:this.selectedSpectrumMeasurements)}, @@ -777,301 +777,302 @@ c(c$,"removeDialog",function(a){var b=a.getGraphSetKey();this.dialogs.remove(b); a&&a.getState()},"~N");c(c$,"getIntegrationGraph",function(a){a=this.getDialog(JSV.common.Annotation.AType.Integration,a);return null==a?null:a.getData()},"~N");c(c$,"setIntegrationRatios",function(a){var b=this.getFixedSelectedSpectrumIndex();null==this.aIntegrationRatios&&(this.aIntegrationRatios=Array(this.nSpectra));this.aIntegrationRatios[b]=JSV.common.IntegralData.getIntegrationRatiosFromString(this.getSpectrum(),a)},"~S");c(c$,"getIntegrationRatios",function(a){return null==this.aIntegrationRatios? null:this.aIntegrationRatios[a]},"~N");c(c$,"integrate",function(a,b){var d=this.getSpectrumAt(a);if(null==b||!d.canIntegrate())return this.removeDialog(a,JSV.common.Annotation.AType.Integration),!1;this.addDialog(a,JSV.common.Annotation.AType.Integration,new JSV.common.IntegralData(d,b));return!0},"~N,JSV.common.Parameters");c(c$,"getIntegration",function(a,b,d){0>a&&(a=this.getCurrentSpectrumIndex());if(0>a)return null;var c=this.getDialog(JSV.common.Annotation.AType.Integration,-1);if(null==c){if(!d)return null; c=this.addDialog(a,JSV.common.Annotation.AType.Integration,new JSV.common.IntegralData(this.getSpectrum(),b))}return c.getData()},"~N,JSV.common.Parameters,~B");c(c$,"getMeasurementInfo",function(a,b){var d;switch(a){case JSV.common.Annotation.AType.PeakList:d=this.getPeakListing(b,null,!1);break;case JSV.common.Annotation.AType.Integration:d=this.getIntegration(b,null,!1);break;default:return null}if(null==d)return null;var c=new java.util.Hashtable;d.getInfo(c);return c},"JSV.common.Annotation.AType,~N"); -c(c$,"getInfo",function(a,b){var d=new java.util.Hashtable;if("".equals(a))d.put("KEYS","viewInfo spectra");else if("viewInfo".equalsIgnoreCase(a))return this.getScale().getInfo(d);var c=new JU.Lst;d.put("spectra",c);for(var f=0;fthis.nSpectra)a=Array(this.nSpectra),System.arraycopy(b,0,a,0,this.nSpectra),b=a;else if(this.nSpectra>b.length){a=Array(this.nSpectra); -var d=this.nSpectra-b.length;System.arraycopy(b,0,a,0,b.length);for(var c=0,b=b.length;c=this.plotColors.length?null:this.plotColors[a]},"~N");c(c$,"setColorFromToken",function(a,b){null!=b&&this.g2d.setGraphicsColor(a,b===JSV.common.ScriptToken.PLOTCOLOR?this.plotColors[0]:this.pd.getColor(b))},"~O,JSV.common.ScriptToken");c(c$,"setPlotColor",function(a,b){var d;switch(b){case -3:d=JSV.common.GraphSet.veryLightGrey;break;case -2:d=this.pd.BLACK;break;case -1:d=this.pd.getColor(JSV.common.ScriptToken.INTEGRALPLOTCOLOR); break;default:d=this.plotColors[b]}this.g2d.setGraphicsColor(a,d)},"~O,~N");c(c$,"draw2DImage",function(){null!=this.imageView&&this.g2d.drawGrayScaleImage(this.gMain,this.image2D,this.imageView.xPixel0,this.imageView.yPixel0,this.imageView.xPixel0+this.imageView.xPixels-1,this.imageView.yPixel0+this.imageView.yPixels-1,this.imageView.xView1,this.imageView.yView1,this.imageView.xView2,this.imageView.yView2)});c(c$,"get2DImage",function(){this.imageView=new JSV.common.ImageView;this.imageView.set(this.viewList.get(0).getScale()); if(!this.update2dImage(!0))return!1;this.imageView.resetZoom();return this.sticky2Dcursor=!0},"JSV.common.Spectrum");c(c$,"update2dImage",function(a){this.imageView.set(this.viewData.getScale());var b=this.getSpectrumAt(0),d=this.imageView.get2dBuffer(b,!a);if(null==d)return this.imageView=this.image2D=null,!1;a&&(d=this.imageView.adjustView(b,this.viewData),this.imageView.resetView());this.image2D=this.g2d.newGrayScaleImage(this.gMain,this.image2D,this.imageView.imageWidth,this.imageView.imageHeight, -d);this.setImageWindow();return!0},"~B");c(c$,"getAnnotation",function(a,b,d,c,f,e,r){return(new JSV.common.ColoredAnnotation).setCA(a,b,this.getSpectrum(),d,this.pd.BLACK,c,f,e,r)},"~N,~N,~S,~B,~B,~N,~N");c(c$,"getAnnotation",function(a,b){return JSV.common.Annotation.getColoredAnnotation(this.g2d,this.getSpectrum(),a,b)},"JU.Lst,JSV.common.Annotation");c(c$,"fillBox",function(a,b,d,c,f,e){this.setColorFromToken(a,e);this.g2d.fillRect(a,Math.min(b,c),Math.min(d,f),Math.abs(b-c),Math.abs(d-f))},"~O,~N,~N,~N,~N,JSV.common.ScriptToken"); -c(c$,"drawBox",function(a,b,d,c,f,e){this.setColorFromToken(a,e);this.g2d.drawRect(a,Math.min(b,c),Math.min(d,f),Math.abs(b-c)-1,Math.abs(d-f)-1)},"~O,~N,~N,~N,~N,JSV.common.ScriptToken");c(c$,"drawHandle",function(a,b,d,c,f){f?this.g2d.drawRect(a,b-c,d-c,2*c,2*c):this.g2d.fillRect(a,b-c,d-c,2*c+1,2*c+1)},"~O,~N,~N,~N,~B");c(c$,"setCurrentBoxColor",function(a){this.g2d.setGraphicsColor(a,this.pd.BLACK)},"~O");c(c$,"fillArrow",function(a,b,c,g,f){var e=1;switch(b){case 1:case 3:e=-1}c=E(-1,[c-5,c- -5,c+5,c+5,c+8,c,c-8]);g=E(-1,[g+5*e,g-e,g-e,g+5*e,g+5*e,g+10*e,g+5*e]);switch(b){case 1:case 2:f?this.g2d.fillPolygon(a,g,c,7):this.g2d.drawPolygon(a,g,c,7);break;case 3:case 4:f?this.g2d.fillPolygon(a,c,g,7):this.g2d.drawPolygon(a,c,g,7)}},"~O,~N,~N,~N,~B");c(c$,"fillCircle",function(a,b,c,g){g?this.g2d.fillCircle(a,b-4,c-4,8):this.g2d.drawCircle(a,b-4,c-4,8)},"~O,~N,~N,~B");c(c$,"setAnnotationColor",function(a,b,c){null!=c?this.setColorFromToken(a,c):(c=null,v(b,JSV.common.ColoredAnnotation)&&(c= -b.getColor()),null==c&&(c=this.pd.BLACK),this.g2d.setGraphicsColor(a,c))},"~O,JSV.common.Annotation,JSV.common.ScriptToken");c(c$,"setSolutionColor",function(a,b,c){for(var g=0;g= -this.xPixel0-5&&athis.averageGray)||0.3c++;)b.scaleSpectrum(-2,g?2:0.5),this.set(b.getScale()),this.get2dBuffer(a,!1);return this.buf2d}, +d);this.setImageWindow();return!0},"~B");c(c$,"getAnnotation",function(a,b,d,c,f,e,u){return(new JSV.common.ColoredAnnotation).setCA(a,b,this.getSpectrum(),d,this.pd.BLACK,c,f,e,u)},"~N,~N,~S,~B,~B,~N,~N");c(c$,"getAnnotation",function(a,b){return JSV.common.Annotation.getColoredAnnotation(this.g2d,this.getSpectrum(),a,b)},"JU.Lst,JSV.common.Annotation");c(c$,"fillBox",function(a,b,d,c,f,e){this.setColorFromToken(a,e);this.g2d.fillRect(a,Math.min(b,c),Math.min(d,f),Math.abs(b-c),Math.abs(d-f))},"~O,~N,~N,~N,~N,JSV.common.ScriptToken"); 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"+b+" : "+e);try{switch(e){default:this.parameters.set(null,e,b);break;case JSV.common.ScriptToken.UNKNOWN:break;case JSV.common.ScriptToken.APPLETID:this.fullName=this.appletName+"__"+(this.appletName=b)+"__";g=null;self.Jmol&&(g=Jmol._applets[b]);this.html5Applet=g;break;case JSV.common.ScriptToken.AUTOINTEGRATE:this.autoIntegrate=JSV.common.Parameters.isTrue(b);break;case JSV.common.ScriptToken.COMPOUNDMENUON:break;case JSV.common.ScriptToken.APPLETREADYCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.COORDCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.LOADFILECALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.PEAKCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.SYNCCALLBACKFUNCTIONNAME:this.si.siExecSetCallback(e, -b);break;case JSV.common.ScriptToken.ENDINDEX:this.initialEndIndex=Integer.parseInt(b);break;case JSV.common.ScriptToken.INTERFACE:this.checkOvelayInterface(b);break;case JSV.common.ScriptToken.IRMODE:this.setIRmode(b);break;case JSV.common.ScriptToken.MENUON:this.allowMenu=Boolean.parseBoolean(b);break;case JSV.common.ScriptToken.OBSCURE:null==this.obscureTitleFromUser&&(this.obscureTitleFromUser=Boolean.$valueOf(b));break;case JSV.common.ScriptToken.STARTINDEX:this.initialStartIndex=Integer.parseInt(b); -break;case JSV.common.ScriptToken.SYNCID:this.fullName=this.appletName+"__"+(this.syncID=b)+"__"}}catch(h){if(!y(h,Exception))throw h;}}},"~S");c(c$,"getSolutionColorStr",function(a){a=JU.CU.colorPtFromInt(this.getSolutionColor(a),null);return G(a.x)+","+G(a.y)+","+G(a.z)},"~B");c(c$,"checkCommandLineForTip",function(a,b,c){var g="\u0001"==a;if(!g&&"\x00"!=a){if("\t"!=a&&("\n"==a||32>a.charCodeAt(0)||126b.indexOf(" ")&&0 src="JPECVIEW" 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-c(c$,"setPt2",function(a,b){this.pt2.setXVal(a);this.pt2.setYVal(b);this.value=Math.abs(a-this.getXVal());this.text=this.spec.setMeasurementText(this)},"~N,~N");c(c$,"getSpectrum",function(){return this.spec});c(c$,"setValue",function(a){this.value=a;this.text=this.spec.setMeasurementText(this)},"~N");c(c$,"getValue",function(){return this.value});c(c$,"getXVal2",function(){return this.pt2.getXVal()});c(c$,"getYVal2",function(){return this.pt2.getYVal()});e(c$,"addSpecShift",function(a){this.setXVal(this.getXVal()+ -a);this.pt2.setXVal(this.pt2.getXVal()+a)},"~N");c(c$,"setYVal2",function(a){this.pt2.setYVal(a)},"~N");c(c$,"overlaps",function(a,b){return Math.min(this.getXVal(),this.getXVal2())Math.min(a,b)},"~N,~N");e(c$,"toString",function(){return"["+this.getXVal()+","+this.pt2.getXVal()+"]"});D(c$,"PT_XY1",1,"PT_XY2",2,"PT_INT_LABEL",-5,"PT_ON_LINE1",-1,"PT_ON_LINE2",-2,"PT_ON_LINE",0)});s("JSV.common");t(["JU.Lst","JSV.api.AnnotationData"],"JSV.common.MeasurementData", -["JU.AU","$.DF","JSV.common.Annotation","$.Parameters"],function(){c$=k(function(){this.units=this.spec=this.type=null;this.precision=0;this.myParams=null;this.isON=!0;this.key=null;m(this,arguments)},JSV.common,"MeasurementData",JU.Lst,JSV.api.AnnotationData);n(c$,function(a,b){z(this,JSV.common.MeasurementData,[]);this.type=a;this.spec=b;this.myParams=(new JSV.common.Parameters).setName("MeasurementData")},"JSV.common.Annotation.AType,JSV.common.Spectrum");c(c$,"getMeasurements",function(){return this}); -e(c$,"getAType",function(){return this.type});e(c$,"getState",function(){return this.isON});e(c$,"setState",function(a){this.isON=a},"~B");c(c$,"setMeasurements",function(){},"JU.Lst");e(c$,"getParameters",function(){return this.myParams});c(c$,"getDataHeader",function(){return JSV.common.MeasurementData.HEADER});c(c$,"getMeasurementListArray",function(a){this.units=a;var b=this.getMeasurementListArrayReal(a),c=this.spec.isNMR()?4:2;a=this.spec.isHNMR()&&a.equals("ppm")?4:2;for(var g=Array(this.size()), -e=this.size();0<=--e;)g[e]=w(-1,[""+(e+1),JU.DF.formatDecimalDbl(b[e][0],c),JU.DF.formatDecimalDbl(b[e][1],c),JU.DF.formatDecimalDbl(b[e][2],a)]);return g},"~S");c(c$,"getMeasurementListArrayReal",function(a){a=this.spec.isNMR()&&a.equalsIgnoreCase("HZ");for(var b=JU.AU.newDouble2(this.size()),c=0,g=this.size();0<=--g;){var e=this.get(g).getValue();a&&(e*=this.spec.observedFreq);b[c++]=L(-1,[this.get(g).getXVal(),this.get(g).getXVal2(),e])}return b},"~S");c$.checkParameters=c(c$,"checkParameters", -function(a,b){if(0==a.size())return!1;var c=a.getParameters();switch(a.getAType()){case JSV.common.Annotation.AType.PeakList:return b.peakListInterpolation.equals(c.peakListInterpolation)&&b.peakListThreshold==c.peakListThreshold}return!1},"JSV.common.MeasurementData,JSV.common.ColorParameters");e(c$,"getSpectrum",function(){return this.spec});e(c$,"getData",function(){return this});c(c$,"clear",function(a,b){for(var c=this.size();0<=--c;){var g=this.get(c);(0==g.text.length||g.overlaps(a,b))&&this.removeItemAt(c)}}, -"~N,~N");c(c$,"find",function(a){for(var b=this.size();0<=--b;)if(this.get(b).overlaps(a,a))return b;return-1},"~N");e(c$,"setSpecShift",function(a){for(var b=this.size();0<=--b;){var c=this.get(b),g=c.getXVal()+a;c.setXVal(g);c.setValue(g);c.text=JU.DF.formatDecimalDbl(g,this.precision)}},"~N");e(c$,"getGraphSetKey",function(){return this.key});e(c$,"setGraphSetKey",function(a){this.key=a},"~S");e(c$,"isVisible",function(){return!0});c(c$,"getInfo",function(a){a.put("header",this.getDataHeader()); -a.put("table",this.getMeasurementListArrayReal("ppm"));null!=this.units&&a.put("units",this.units)},"java.util.Map");e(c$,"isDialog",function(){return!1});c$.HEADER=c$.prototype.HEADER=w(-1,["","start","end","value"])});s("JSV.common");t(["java.lang.Enum","J.api.EventManager","java.util.Hashtable","JU.Lst"],"JSV.common.PanelData","java.lang.Boolean $.Double JU.CU JSV.common.Annotation $.Coordinate $.GraphSet $.JSVFileManager $.JSVersion $.JSViewer $.MeasurementData $.Parameters $.PeakPickEvent $.ScriptToken $.Spectrum $.SubSpecChangeEvent $.ZoomEvent JSV.dialog.JSVDialog J.api.GenericGraphics JU.Font $.Logger".split(" "), -function(){c$=k(function(){this.graphSets=this.jsvp=this.options=this.currentGraphSet=this.listeners=this.vwr=this.g2d0=this.g2d=null;this.currentSplitPoint=0;this.coordsClicked=this.coordClicked=this.thisWidget=null;this.isIntegralDrag=this.drawXAxisLeftToRight=this.shiftPressed=this.ctrlPressed=!1;this.xAxisLeftToRight=!0;this.scalingFactor=1;this.integralShiftMode=0;this.left=60;this.right=50;this.coordStr="";this.startupPinTip="Click to set.";this.title=null;this.endIndex=this.startIndex=this.thisHeight= -this.thisWidth=this.nSpectra=this.clickCount=0;this.titleFontName=this.displayFontName=this.viewTitle=this.commonFilePath=null;this.isPrinting=!1;this.doReset=!0;this.printingFontName=null;this.printGraphPosition="default";this.isLinked=this.display1D=this.titleDrawn=!1;this.spectra=this.printJobTitle=null;this.taintedAll=!0;this.testingJavaScript=!1;this.mouseState=this.currentFont=null;this.peakTabsOn=this.titleOn=this.gridOn=!1;this.mouseY=this.mouseX=0;this.linking=!1;this.xPixelClicked=0;this.gMain= -this.optionsSaved=this.bgcolor=this.BLACK=this.zoomBoxColor2=this.zoomBoxColor=this.highlightColor=this.unitsColor=this.titleColor=this.scaleColor=this.plotAreaColor=this.peakTabColor=this.integralPlotColor=this.gridColor=this.coordinatesColor=null;m(this,arguments)},JSV.common,"PanelData",null,J.api.EventManager);F(c$,function(){this.listeners=new JU.Lst;this.options=new java.util.Hashtable});n(c$,function(a,b){this.vwr=b;this.jsvp=a;this.g2d=this.g2d0=b.g2d;this.BLACK=this.g2d.getColor1(0);this.highlightColor= -this.g2d.getColor4(255,0,0,200);this.zoomBoxColor=this.g2d.getColor4(150,150,100,130);this.zoomBoxColor2=this.g2d.getColor4(150,100,100,130)},"JSV.api.JSVPanel,JSV.common.JSViewer");c(c$,"addListener",function(a){this.listeners.contains(a)||this.listeners.addLast(a)},"JSV.api.PanelListener");c(c$,"getCurrentGraphSet",function(){return this.currentGraphSet});c(c$,"dispose",function(){this.jsvp=null;for(var a=0;ac&&(e=x(14*c/h),10>e&&(e=10),e=this.getFont(a,c,this.isPrinting||this.getBoolean(JSV.common.ScriptToken.TITLEBOLDON)?1:0,e,!0));this.g2d.setGraphicsColor(a,this.titleColor);this.setCurrentFont(this.g2d.setFont(a, -e));this.g2d.drawString(a,g,this.isPrinting?this.left*this.scalingFactor:5,b-x(e.getHeight()*(this.isPrinting?2:0.5)))},"~O,~N,~N,~S");c(c$,"setCurrentFont",function(a){this.currentFont=a},"JU.Font");c(c$,"getFontHeight",function(){return this.currentFont.getAscent()});c(c$,"getStringWidth",function(a){return this.currentFont.stringWidth(a)},"~S");c(c$,"selectFromEntireSet",function(a){for(var b=0,c=0;ba||a==c)&&this.graphSets.get(b).setSelected(e)},"~N");c(c$,"addToList",function(a,b){for(var c=0;ca||c==a)&&b.addLast(this.spectra.get(c))},"~N,JU.Lst");c(c$,"scaleSelectedBy",function(a){for(var b=this.graphSets.size();0<=--b;)this.graphSets.get(b).scaleSelectedBy(a)},"~N");c(c$,"setCurrentGraphSet",function(a,b){var c=1a||a>=this.currentGraphSet.nSpectra)){this.currentSplitPoint=a;b&&this.setSpectrum(this.currentSplitPoint,1b&&(g=b*g/400):250>b&&(g=b*g/250); -b=this.jsvp.getFontFaceID(this.isPrinting?this.printingFontName:this.displayFontName);return this.currentFont=JU.Font.createFont3D(b,c,g,g,this.jsvp.getApiPlatform(),a)},"~O,~N,~N,~N,~B");c(c$,"notifySubSpectrumChange",function(a,b){this.notifyListeners(new JSV.common.SubSpecChangeEvent(a,null==b?null:b.getTitleLabel()))},"~N,JSV.common.Spectrum");c(c$,"notifyPeakPickedListeners",function(a){null==a&&(a=new JSV.common.PeakPickEvent(this.jsvp,this.coordClicked,this.getSpectrum().getAssociatedPeakInfo(this.xPixelClicked, -this.coordClicked)));this.notifyListeners(a)},"JSV.common.PeakPickEvent");c(c$,"notifyListeners",function(a){for(var b=0;bc)return this.jsvp.showMessage("To enable "+ -a+" first select a spectrum by clicking on it.",""+a),null;var g=this.getSpectrum(),e=this.vwr.getDialog(a,g);null==b&&a===JSV.common.Annotation.AType.Measurements&&(b=new JSV.common.MeasurementData(JSV.common.Annotation.AType.Measurements,g));null!=b&&e.setData(b);this.addDialog(c,a,e);e.reEnable();return e},"JSV.common.Annotation.AType");c(c$,"printPdf",function(a,b){var c=!b.layout.equals("landscape");this.print(a,c?b.imageableHeight:b.imageableWidth,c?b.imageableWidth:b.imageableHeight,b.imageableX, -b.imageableY,b.paperHeight,b.paperWidth,c,0)},"J.api.GenericGraphics,JSV.common.PrintLayout");c(c$,"print",function(a,b,c,e,f,h,r,j,l){this.g2d=this.g2d0;if(0==l)return this.isPrinting=!0,l=!1,v(a,J.api.GenericGraphics)&&(this.g2d=a,a=this.gMain),this.printGraphPosition.equals("default")?j?(b=450,c=280):(b=280,c=450):this.printGraphPosition.equals("fit to page")?l=!0:j?(b=450,c=280,e=x(x(r-c)/2),f=x(x(h-b)/2)):(b=280,c=450,f=x(x(r-280)/2),e=x(x(h-450)/2)),this.g2d.translateScale(a,e,f,0.1),this.setTaintedAll(), -this.drawGraph(a,a,a,x(c),x(b),l),this.isPrinting=!1,0;this.isPrinting=!1;return 1},"~O,~N,~N,~N,~N,~N,~N,~B,~N");e(c$,"keyPressed",function(a,b){if(this.isPrinting)return!1;this.checkKeyControl(a,!0);switch(a){case 27:case 127:case 8:return this.escapeKeyPressed(27!=a),this.isIntegralDrag=!1,this.setTaintedAll(),this.repaint(),!0}var c=0,e=!1;if(0==b)switch(a){case 37:case 39:this.doMouseMoved(39==a?++this.mouseX:--this.mouseX,this.mouseY);this.repaint();e=!0;break;case 33:case 34:c=33==a?JSV.common.GraphSet.RT2: -1/JSV.common.GraphSet.RT2;e=!0;break;case 40:case 38:e=40==a?-1:1,null==this.getSpectrumAt(0).getSubSpectra()?this.notifySubSpectrumChange(e,null):(this.advanceSubSpectrum(e),this.setTaintedAll(),this.repaint()),e=!0}else if(this.checkMod(a,2))switch(a){case 40:case 38:case 45:case 61:c=61==a||38==a?JSV.common.GraphSet.RT2:1/JSV.common.GraphSet.RT2;e=!0;break;case 37:case 39:this.toPeak(39==a?1:-1),e=!0}0!=c&&(this.scaleYBy(c),this.setTaintedAll(),this.repaint());return e},"~N,~N");e(c$,"keyReleased", -function(a){this.isPrinting||this.checkKeyControl(a,!1)},"~N");e(c$,"keyTyped",function(a,b){if(this.isPrinting)return!1;switch(a){case "n":if(0!=b)break;this.normalizeIntegral();return!0;case 26:if(2!=b)break;this.previousView();this.setTaintedAll();this.repaint();return!0;case 25:if(2!=b)break;this.nextView();this.setTaintedAll();this.repaint();return!0}return!1},"~N,~N");e(c$,"mouseAction",function(a,b,c,e,f,h){if(!this.isPrinting)switch(a){case 4:if(!this.checkMod(h,16))break;this.doMousePressed(c, -e);break;case 5:this.doMouseReleased(c,e,this.checkMod(h,16));this.setTaintedAll();this.repaint();break;case 1:this.doMouseDragged(c,e);this.repaint();break;case 0:this.jsvp.getFocusNow(!1);if(0!=(h&28)){this.doMouseDragged(c,e);this.repaint();break}this.doMouseMoved(c,e);null!=this.coordStr&&this.repaint();break;case 2:if(this.checkMod(h,4)){this.jsvp.showMenu(c,e);break}this.ctrlPressed=!1;this.doMouseClicked(c,e,this.updateControlPressed(h))}},"~N,~N,~N,~N,~N,~N");c(c$,"checkMod",function(a,b){return(a& -b)==b},"~N,~N");c(c$,"checkKeyControl",function(a,b){switch(a){case 17:case 157:this.ctrlPressed=b;break;case 16:this.shiftPressed=b}},"~N,~B");c(c$,"updateControlPressed",function(a){return this.ctrlPressed=(new Boolean(this.ctrlPressed|(this.checkMod(a,2)||this.checkMod(a,20)))).valueOf()},"~N");e(c$,"mouseEnterExit",function(a,b,c,e){if(e)this.thisWidget=null,this.isIntegralDrag=!1,this.integralShiftMode=0;else try{this.jsvp.getFocusNow(!1)}catch(f){if(y(f,Exception))System.out.println("pd "+this+ -" cannot focus");else throw f;}},"~N,~N,~N,~B");c(c$,"setSolutionColor",function(a){var b=0<=a.indexOf("none"),c=0>a.indexOf("false");if(0>a.indexOf("all"))b=b?-1:this.vwr.getSolutionColor(c),this.getSpectrum().setFillColor(-1==b?null:this.vwr.parameters.getColor1(b));else{a=JSV.common.JSViewer.getInterface("JSV.common.Visible");for(var e=this.graphSets.size();0<=--e;)this.graphSets.get(e).setSolutionColor(a,b,c)}},"~S");c(c$,"setIRMode",function(a,b){for(var c=this.graphSets.size();0<=--c;)this.graphSets.get(c).setIRMode(a, -b)},"JSV.common.Spectrum.IRMode,~S");c(c$,"closeSpectrum",function(){this.vwr.close("views");this.vwr.close(this.getSourceID());this.vwr.execView("*",!0)});A(self.c$);c$=u(JSV.common.PanelData,"LinkMode",Enum);c$.getMode=c(c$,"getMode",function(a){if(a.equals("*"))return JSV.common.PanelData.LinkMode.ALL;for(var b,c=0,e=JSV.common.PanelData.LinkMode.values();ca.indexOf("*")){h=a.$plit(" ");a=new JU.SB;for(var u=0;u");0=c+1&&(c=v(Math.floor(b)));this.fileCount= +c;System.gc();JU.Logger.debugging&&JU.Logger.checkMemory();this.si.siSourceClosed(a)},"JSV.source.JDXSource");c(c$,"setFrameAndTreeNode",function(a){null==this.panelNodes||(0>a||a>=this.panelNodes.size())||this.setNode(this.panelNodes.get(a))},"~N");c(c$,"selectFrameNode",function(a){a=JSV.common.PanelNode.findNode(a,this.panelNodes);if(null==a)return null;this.spectraTree.setPath(this.spectraTree.newTreePath(a.treeNode.getPath()));this.setOverlayLegendVisibility(null,!1);return a},"JSV.api.JSVPanel"); +c(c$,"setSpectrum",function(a){if(0<=a.indexOf(".")){a=JSV.common.PanelNode.findNodeById(a,this.panelNodes);if(null==a)return!1;this.setNode(a)}else{a=JU.PT.parseInt(a);if(0>=a)return this.checkOverlay(),!1;this.setFrameAndTreeNode(a-1)}return!0},"~S");c(c$,"splitSpectra",function(){for(var a=this.currentSource,b=a.getSpectra(),c=Array(b.size()),h=null,f=0;fa.indexOf("false")),a="background-color:rgb("+a+")'>
    Predicted Solution Colour- RGB("+a+")

    ",JSV.common.JSViewer.isJS?this.dialogManager.showMessage(this,"
    ","Predicted Colour"))},"~S");c(c$,"getDialogPrint",function(a){if(!JSV.common.JSViewer.isJS)try{var b=this.getPlatformInterface("PrintDialog").set(this.offWindowFrame,this.lastPrintLayout,a).getPrintLayout();null!=b&&(this.lastPrintLayout=b);return b}catch(c){if(!z(c,Exception))throw c;}return new JSV.common.PrintLayout(this.pd())},"~B");c(c$,"setIRmode",function(a){this.irMode=a.equals("AtoT")?JSV.common.Spectrum.IRMode.TO_TRANS: +a.equals("TtoA")?JSV.common.Spectrum.IRMode.TO_ABS:JSV.common.Spectrum.IRMode.getMode(a)},"~S");c(c$,"getOptionFromDialog",function(a,b,c){return this.getDialogManager().getOptionFromDialog(null,a,this.selectedPanel,b,c)},"~A,~S,~S");c(c$,"print",function(a){return this.execWrite('PDF "'+a+'"')},"~S");c(c$,"execWrite",function(a){JSV.common.JSViewer.isJS&&null==a&&(a="PDF");a=JSV.common.JSViewer.getInterface("JSV.export.Exporter").write(this,null==a?null:JSV.common.ScriptToken.getTokens(a),!1);this.si.writeStatus(a); +return a},"~S");c(c$,"$export",function(a,b){null==a&&(a="XY");var c=this.pd(),h=c.getNumberOfSpectraInCurrentSet();if(-1>b||b>=h)return"Maximum spectrum index (0-based) is "+(h-1)+".";c=0>b?c.getSpectrum():c.getSpectrumAt(b);try{return JSV.common.JSViewer.getInterface("JSV.export.Exporter").exportTheSpectrum(this,JSV.common.ExportType.getType(a),null,c,0,c.getXYCoords().length-1,null,a.equalsIgnoreCase("PDF"))}catch(f){if(z(f,Exception))return JU.Logger.error(f.toString()),null;throw f;}},"~S,~N"); +e(c$,"postByteArray",function(a,b){return JSV.common.JSVFileManager.postByteArray(a,b)},"~S,~A");c(c$,"getOutputChannel",function(a,b){for(;a.startsWith("/");)a=a.substring(1);return(new JU.OC).setParams(this,a,!b,null)},"~S,~B");c$.getInterface=c(c$,"getInterface",function(a){try{var b=$._4Name(a);return null==b?null:b.newInstance()}catch(c){if(z(c,Exception))return JU.Logger.error("Interface.java Error creating instance for "+a+": \n"+c),null;throw c;}},"~S");c(c$,"showMessage",function(a){null!= +this.selectedPanel&&null!=a&&this.selectedPanel.showMessage(a,null)},"~S");c(c$,"openFileFromDialog",function(a,b,c,h){var f=null;if(null!=c){f=this.fileHelper.getUrlFromDialog("Enter the name or identifier of a compound",this.recentSimulation);if(null==f)return;this.recentSimulation=f;f="$"+c+"/"+f}else if(b){f=this.fileHelper.getUrlFromDialog("Enter the URL of a JCAMP-DX File",null==this.recentURL?this.recentOpenURL:this.recentURL);if(null==f)return;this.recentOpenURL=f}else b=x(-1,[Boolean.$valueOf(a), +h]),b=this.fileHelper.showFileOpenDialog(this.mainPanel,b),null!=b&&(f=b.getFullPath());null!=f&&this.runScriptNow("load "+(a?"APPEND ":"")+'"'+f+'"'+(null==h?"":";"+h))},"~B,~B,~S,~S");c(c$,"openFile",function(a,b){if(b&&null!=this.panelNodes){var c=JSV.common.PanelNode.findSourceByNameOrId((new java.io.File(a)).getAbsolutePath(),this.panelNodes);null!=c&&this.closeSource(c)}this.si.siOpenDataOrFile(null,null,null,a,-1,-1,!0,this.defaultLoadScript,null)},"~S,~B");c(c$,"selectPanel",function(a,b){var c= +-1;if(null!=b){for(var h=b.size();0<=--h;){var f=b.get(h).jsvp;f===a?c=h:(f.setEnabled(!1),f.setFocusable(!1),f.getPanelData().closeAllDialogsExcept(JSV.common.Annotation.AType.NONE))}this.markSelectedPanels(b,c)}return c},"JSV.api.JSVPanel,JU.Lst");c(c$,"checkAutoIntegrate",function(){this.autoIntegrate&&this.pd().integrateAll(this.parameters)});c(c$,"parseInitScript",function(a){null==a&&(a="");a=new JSV.common.ScriptTokenizer(a,!0);for(JU.Logger.debugging&&JU.Logger.info("Running in DEBUG mode");a.hasMoreTokens();){var b= +a.nextToken(),c=new JSV.common.ScriptTokenizer(b,!1),h=c.nextToken();h.equalsIgnoreCase("SET")&&(h=c.nextToken());var h=h.toUpperCase(),f=JSV.common.ScriptToken.getScriptToken(h),b=JSV.common.ScriptToken.getValue(f,c,b);JU.Logger.info("KEY-> "+h+" VALUE-> "+b+" : "+f);try{switch(f){default:this.parameters.set(null,f,b);break;case JSV.common.ScriptToken.UNKNOWN:break;case JSV.common.ScriptToken.APPLETID:this.fullName=this.appletName+"__"+(this.appletName=b)+"__";h=null;self.Jmol&&(h=Jmol._applets[b]); +this.html5Applet=h;break;case JSV.common.ScriptToken.AUTOINTEGRATE:this.autoIntegrate=JSV.common.Parameters.isTrue(b);break;case JSV.common.ScriptToken.COMPOUNDMENUON:break;case JSV.common.ScriptToken.APPLETREADYCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.COORDCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.LOADFILECALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.PEAKCALLBACKFUNCTIONNAME:case JSV.common.ScriptToken.SYNCCALLBACKFUNCTIONNAME:this.si.siExecSetCallback(f,b);break;case JSV.common.ScriptToken.ENDINDEX:this.initialEndIndex= +Integer.parseInt(b);break;case JSV.common.ScriptToken.INTERFACE:this.checkOvelayInterface(b);break;case JSV.common.ScriptToken.IRMODE:this.setIRmode(b);break;case JSV.common.ScriptToken.MENUON:this.allowMenu=Boolean.parseBoolean(b);break;case JSV.common.ScriptToken.OBSCURE:null==this.obscureTitleFromUser&&(this.obscureTitleFromUser=Boolean.$valueOf(b));break;case JSV.common.ScriptToken.STARTINDEX:this.initialStartIndex=Integer.parseInt(b);break;case JSV.common.ScriptToken.SYNCID:this.fullName=this.appletName+ +"__"+(this.syncID=b)+"__"}}catch(e){if(!z(e,Exception))throw e;}}},"~S");c(c$,"getSolutionColorStr",function(a){a=JU.CU.colorPtFromInt(this.getSolutionColor(a),null);return I(a.x)+","+I(a.y)+","+I(a.z)},"~B");c(c$,"checkCommandLineForTip",function(a,b,c){var h="\u0001"==a;if(!h&&"\x00"!=a){if("\t"!=a&&("\n"==a||32>a.charCodeAt(0)||126b.indexOf(" ")&&0 src="JPECVIEW" file="http://SIMULATION/$caffeine"', +"NLEVEL_MAX",100,"isJS",!1,"isSwingJS",!1,"jmolObject",null)});r("JSV.common");s(["JSV.common.Annotation","$.Coordinate"],"JSV.common.Measurement",null,function(){c$=k(function(){this.pt2=null;this.value=0;n(this,arguments)},JSV.common,"Measurement",JSV.common.Annotation);H(c$,function(){this.pt2=new JSV.common.Coordinate});c(c$,"setM1",function(a,b,c){this.setA(a,b,c,"",!1,!1,0,6);this.setPt2(this.getXVal(),this.getYVal());return this},"~N,~N,JSV.common.Spectrum");c(c$,"copyM",function(){var a=new JSV.common.Measurement; +a.setA(this.getXVal(),this.getYVal(),this.spec,this.text,!1,!1,this.offsetX,this.offsetY);a.setPt2(this.pt2.getXVal(),this.pt2.getYVal());return a});c(c$,"setPt2",function(a,b){this.spec=a;b&&this.setPt2(this.getXVal(),this.getYVal());return this},"JSV.common.Spectrum,~B");c(c$,"setPt2",function(a,b){this.pt2.setXVal(a);this.pt2.setYVal(b);this.value=Math.abs(a-this.getXVal());this.text=this.spec.setMeasurementText(this)},"~N,~N");c(c$,"getSpectrum",function(){return this.spec});c(c$,"setValue",function(a){this.value= +a;this.text=this.spec.setMeasurementText(this)},"~N");c(c$,"getValue",function(){return this.value});c(c$,"getXVal2",function(){return this.pt2.getXVal()});c(c$,"getYVal2",function(){return this.pt2.getYVal()});e(c$,"addSpecShift",function(a){this.setXVal(this.getXVal()+a);this.pt2.setXVal(this.pt2.getXVal()+a)},"~N");c(c$,"setYVal2",function(a){this.pt2.setYVal(a)},"~N");c(c$,"overlaps",function(a,b){return Math.min(this.getXVal(),this.getXVal2()) +Math.min(a,b)},"~N,~N");e(c$,"toString",function(){return"["+this.getXVal()+","+this.pt2.getXVal()+"]"});D(c$,"PT_XY1",1,"PT_XY2",2,"PT_INT_LABEL",-5,"PT_ON_LINE1",-1,"PT_ON_LINE2",-2,"PT_ON_LINE",0)});r("JSV.common");s(["JU.Lst","JSV.api.AnnotationData"],"JSV.common.MeasurementData",["JU.AU","$.DF","JSV.common.Annotation","$.Parameters"],function(){c$=k(function(){this.units=this.spec=this.type=null;this.precision=0;this.myParams=null;this.isON=!0;this.key=null;n(this,arguments)},JSV.common,"MeasurementData", +JU.Lst,JSV.api.AnnotationData);m(c$,function(a,b){y(this,JSV.common.MeasurementData,[]);this.type=a;this.spec=b;this.myParams=(new JSV.common.Parameters).setName("MeasurementData")},"JSV.common.Annotation.AType,JSV.common.Spectrum");c(c$,"getMeasurements",function(){return this});e(c$,"getAType",function(){return this.type});e(c$,"getState",function(){return this.isON});e(c$,"setState",function(a){this.isON=a},"~B");c(c$,"setMeasurements",function(){},"JU.Lst");e(c$,"getParameters",function(){return this.myParams}); +c(c$,"getDataHeader",function(){return JSV.common.MeasurementData.HEADER});c(c$,"getMeasurementListArray",function(a){this.units=a;var b=this.getMeasurementListArrayReal(a),c=this.spec.isNMR()?4:2;a=this.spec.isHNMR()&&a.equals("ppm")?4:2;for(var e=Array(this.size()),f=this.size();0<=--f;)e[f]=x(-1,[""+(f+1),JU.DF.formatDecimalDbl(b[f][0],c),JU.DF.formatDecimalDbl(b[f][1],c),JU.DF.formatDecimalDbl(b[f][2],a)]);return e},"~S");c(c$,"getMeasurementListArrayReal",function(a){a=this.spec.isNMR()&&a.equalsIgnoreCase("HZ"); +for(var b=JU.AU.newDouble2(this.size()),c=0,e=this.size();0<=--e;){var f=this.get(e).getValue();a&&(f*=this.spec.getObservedFreq());b[c++]=O(-1,[this.get(e).getXVal(),this.get(e).getXVal2(),f])}return b},"~S");c$.checkParameters=c(c$,"checkParameters",function(a,b){if(0==a.size())return!1;var c=a.getParameters();switch(a.getAType()){case JSV.common.Annotation.AType.PeakList:return b.peakListInterpolation.equals(c.peakListInterpolation)&&b.peakListThreshold==c.peakListThreshold}return!1},"JSV.common.MeasurementData,JSV.common.ColorParameters"); +e(c$,"getSpectrum",function(){return this.spec});e(c$,"getData",function(){return this});c(c$,"clear",function(a,b){for(var c=this.size();0<=--c;){var e=this.get(c);(0==e.text.length||e.overlaps(a,b))&&this.removeItemAt(c)}},"~N,~N");c(c$,"find",function(a){for(var b=this.size();0<=--b;)if(this.get(b).overlaps(a,a))return b;return-1},"~N");e(c$,"setSpecShift",function(a){for(var b=this.size();0<=--b;){var c=this.get(b),e=c.getXVal()+a;c.setXVal(e);c.setValue(e);c.text=JU.DF.formatDecimalDbl(e,this.precision)}}, +"~N");e(c$,"getGraphSetKey",function(){return this.key});e(c$,"setGraphSetKey",function(a){this.key=a},"~S");e(c$,"isVisible",function(){return!0});c(c$,"getInfo",function(a){a.put("header",this.getDataHeader());a.put("table",this.getMeasurementListArrayReal("ppm"));null!=this.units&&a.put("units",this.units)},"java.util.Map");e(c$,"isDialog",function(){return!1});c$.HEADER=c$.prototype.HEADER=x(-1,["","start","end","value"])});r("JSV.common");s(["java.lang.Enum","J.api.EventManager","java.util.Hashtable", +"JU.Lst"],"JSV.common.PanelData","java.lang.Boolean $.Double JU.CU JSV.common.Annotation $.Coordinate $.GraphSet $.JSVFileManager $.JSVersion $.JSViewer $.MeasurementData $.Parameters $.PeakPickEvent $.ScriptToken $.Spectrum $.SubSpecChangeEvent $.ZoomEvent JSV.dialog.JSVDialog J.api.GenericGraphics JU.Font $.Logger".split(" "),function(){c$=k(function(){this.graphSets=this.jsvp=this.options=this.currentGraphSet=this.listeners=this.vwr=this.g2d0=this.g2d=null;this.currentSplitPoint=0;this.coordsClicked= +this.coordClicked=this.thisWidget=null;this.isIntegralDrag=this.drawXAxisLeftToRight=this.shiftPressed=this.ctrlPressed=!1;this.xAxisLeftToRight=!0;this.scalingFactor=1;this.integralShiftMode=0;this.left=60;this.right=50;this.coordStr="";this.startupPinTip="Click to set.";this.title=null;this.endIndex=this.startIndex=this.thisHeight=this.thisWidth=this.nSpectra=this.clickCount=0;this.titleFontName=this.displayFontName=this.viewTitle=this.commonFilePath=null;this.isPrinting=!1;this.doReset=!0;this.printingFontName= +null;this.printGraphPosition="default";this.isLinked=this.display1D=this.titleDrawn=!1;this.spectra=this.printJobTitle=null;this.taintedAll=!0;this.testingJavaScript=!1;this.mouseState=this.currentFont=null;this.peakTabsOn=this.titleOn=this.gridOn=!1;this.mouseY=this.mouseX=0;this.linking=!1;this.xPixelClicked=0;this.gMain=this.optionsSaved=this.bgcolor=this.BLACK=this.zoomBoxColor2=this.zoomBoxColor=this.highlightColor=this.unitsColor=this.titleColor=this.scaleColor=this.plotAreaColor=this.peakTabColor= +this.integralPlotColor=this.gridColor=this.coordinatesColor=null;n(this,arguments)},JSV.common,"PanelData",null,J.api.EventManager);H(c$,function(){this.listeners=new JU.Lst;this.options=new java.util.Hashtable});m(c$,function(a,b){this.vwr=b;this.jsvp=a;this.g2d=this.g2d0=b.g2d;this.BLACK=this.g2d.getColor1(0);this.highlightColor=this.g2d.getColor4(255,0,0,200);this.zoomBoxColor=this.g2d.getColor4(150,150,100,130);this.zoomBoxColor2=this.g2d.getColor4(150,100,100,130)},"JSV.api.JSVPanel,JSV.common.JSViewer"); +c(c$,"addListener",function(a){this.listeners.contains(a)||this.listeners.addLast(a)},"JSV.api.PanelListener");c(c$,"getCurrentGraphSet",function(){return this.currentGraphSet});c(c$,"dispose",function(){this.jsvp=null;for(var a=0;ac&&(f=v(14*c/g),10>f&&(f=10),f=this.getFont(a,c,this.isPrinting||this.getBoolean(JSV.common.ScriptToken.TITLEBOLDON)?1:0,f,!0));this.g2d.setGraphicsColor(a,this.titleColor);this.setCurrentFont(this.g2d.setFont(a,f));this.g2d.drawString(a,e,this.isPrinting?this.left*this.scalingFactor:5,b-v(f.getHeight()*(this.isPrinting?2:0.5)))},"~O,~N,~N,~S");c(c$,"setCurrentFont",function(a){this.currentFont= +a},"JU.Font");c(c$,"getFontHeight",function(){return this.currentFont.getAscent()});c(c$,"getStringWidth",function(a){return this.currentFont.stringWidth(a)},"~S");c(c$,"selectFromEntireSet",function(a){for(var b=0,c=0;ba||a==c)&&this.graphSets.get(b).setSelected(f)},"~N");c(c$,"addToList",function(a,b){for(var c=0;ca|| +c==a)&&b.addLast(this.spectra.get(c))},"~N,JU.Lst");c(c$,"scaleSelectedBy",function(a){for(var b=this.graphSets.size();0<=--b;)this.graphSets.get(b).scaleSelectedBy(a)},"~N");c(c$,"setCurrentGraphSet",function(a,b){var c=1a||a>=this.currentGraphSet.nSpectra)){this.currentSplitPoint=a;b&&this.setSpectrum(this.currentSplitPoint,1b&&(e=b*e/400):250>b&&(e=b*e/250);b=this.jsvp.getFontFaceID(this.isPrinting?this.printingFontName:this.displayFontName);return this.currentFont=JU.Font.createFont3D(b,c,e,e,this.jsvp.getApiPlatform(),a)},"~O,~N,~N,~N,~B");c(c$,"notifySubSpectrumChange", +function(a,b){this.notifyListeners(new JSV.common.SubSpecChangeEvent(a,null==b?null:b.getTitleLabel()))},"~N,JSV.common.Spectrum");c(c$,"notifyPeakPickedListeners",function(a){null==a&&(a=new JSV.common.PeakPickEvent(this.jsvp,this.coordClicked,this.getSpectrum().getAssociatedPeakInfo(this.xPixelClicked,this.coordClicked)));this.notifyListeners(a)},"JSV.common.PeakPickEvent");c(c$,"notifyListeners",function(a){for(var b=0;bc)return this.jsvp.showMessage("To enable "+a+" first select a spectrum by clicking on it.",""+a),null;var e=this.getSpectrum(),f=this.vwr.getDialog(a,e);null==b&&a===JSV.common.Annotation.AType.Measurements&&(b=new JSV.common.MeasurementData(JSV.common.Annotation.AType.Measurements,e));null!= +b&&f.setData(b);this.addDialog(c,a,f);f.reEnable();return f},"JSV.common.Annotation.AType");c(c$,"printPdf",function(a,b){var c=!b.layout.equals("landscape");this.print(a,c?b.imageableHeight:b.imageableWidth,c?b.imageableWidth:b.imageableHeight,b.imageableX,b.imageableY,b.paperHeight,b.paperWidth,c,0)},"J.api.GenericGraphics,JSV.common.PrintLayout");c(c$,"print",function(a,b,c,e,f,g,k,j,l){this.g2d=this.g2d0;if(0==l)return this.isPrinting=!0,l=!1,w(a,J.api.GenericGraphics)&&(this.g2d=a,a=this.gMain), +this.printGraphPosition.equals("default")?j?(b=450,c=280):(b=280,c=450):this.printGraphPosition.equals("fit to page")?l=!0:j?(b=450,c=280,e=v(v(k-c)/2),f=v(v(g-b)/2)):(b=280,c=450,f=v(v(k-280)/2),e=v(v(g-450)/2)),this.g2d.translateScale(a,e,f,0.1),this.setTaintedAll(),this.drawGraph(a,a,a,v(c),v(b),l),this.isPrinting=!1,0;this.isPrinting=!1;return 1},"~O,~N,~N,~N,~N,~N,~N,~B,~N");e(c$,"keyPressed",function(a,b){if(this.isPrinting)return!1;this.checkKeyControl(a,!0);switch(a){case 27:case 127:case 8:return this.escapeKeyPressed(27!= +a),this.isIntegralDrag=!1,this.setTaintedAll(),this.repaint(),!0}var c=0,e=!1;if(0==b)switch(a){case 37:case 39:this.doMouseMoved(39==a?++this.mouseX:--this.mouseX,this.mouseY);this.repaint();e=!0;break;case 33:case 34:c=33==a?JSV.common.GraphSet.RT2:1/JSV.common.GraphSet.RT2;e=!0;break;case 40:case 38:e=40==a?-1:1,null==this.getSpectrumAt(0).getSubSpectra()?this.notifySubSpectrumChange(e,null):(this.advanceSubSpectrum(e),this.setTaintedAll(),this.repaint()),e=!0}else if(this.checkMod(a,2))switch(a){case 40:case 38:case 45:case 61:c= +61==a||38==a?JSV.common.GraphSet.RT2:1/JSV.common.GraphSet.RT2;e=!0;break;case 37:case 39:this.toPeak(39==a?1:-1),e=!0}0!=c&&(this.scaleYBy(c),this.setTaintedAll(),this.repaint());return e},"~N,~N");e(c$,"keyReleased",function(a){this.isPrinting||this.checkKeyControl(a,!1)},"~N");e(c$,"keyTyped",function(a,b){if(this.isPrinting)return!1;switch(a){case "n":if(0!=b)break;this.normalizeIntegral();return!0;case 26:if(2!=b)break;this.previousView();this.setTaintedAll();this.repaint();return!0;case 25:if(2!= +b)break;this.nextView();this.setTaintedAll();this.repaint();return!0}return!1},"~N,~N");e(c$,"mouseAction",function(a,b,c,e,f,g){if(!this.isPrinting)switch(a){case 4:if(!this.checkMod(g,16))break;this.doMousePressed(c,e);break;case 5:this.doMouseReleased(c,e,this.checkMod(g,16));this.setTaintedAll();this.repaint();break;case 1:this.doMouseDragged(c,e);this.repaint();break;case 0:this.jsvp.getFocusNow(!1);if(0!=(g&28)){this.doMouseDragged(c,e);this.repaint();break}this.doMouseMoved(c,e);null!=this.coordStr&& +this.repaint();break;case 2:if(this.checkMod(g,4)){this.jsvp.showMenu(c,e);break}this.ctrlPressed=!1;this.doMouseClicked(c,e,this.updateControlPressed(g))}},"~N,~N,~N,~N,~N,~N");c(c$,"checkMod",function(a,b){return(a&b)==b},"~N,~N");c(c$,"checkKeyControl",function(a,b){switch(a){case 17:case 157:this.ctrlPressed=b;break;case 16:this.shiftPressed=b}},"~N,~B");c(c$,"updateControlPressed",function(a){return this.ctrlPressed=(new Boolean(this.ctrlPressed|(this.checkMod(a,2)||this.checkMod(a,20)))).valueOf()}, +"~N");e(c$,"mouseEnterExit",function(a,b,c,e){if(e)this.thisWidget=null,this.isIntegralDrag=!1,this.integralShiftMode=0;else try{this.jsvp.getFocusNow(!1)}catch(f){if(z(f,Exception))System.out.println("pd "+this+" cannot focus");else throw f;}},"~N,~N,~N,~B");c(c$,"setSolutionColor",function(a){var b=0<=a.indexOf("none"),c=0>a.indexOf("false");if(0>a.indexOf("all"))b=b?-1:this.vwr.getSolutionColor(c),this.getSpectrum().setFillColor(-1==b?null:this.vwr.parameters.getColor1(b));else{a=JSV.common.JSViewer.getInterface("JSV.common.Visible"); +for(var e=this.graphSets.size();0<=--e;)this.graphSets.get(e).setSolutionColor(a,b,c)}},"~S");c(c$,"setIRMode",function(a,b){for(var c=this.graphSets.size();0<=--c;)this.graphSets.get(c).setIRMode(a,b)},"JSV.common.Spectrum.IRMode,~S");c(c$,"closeSpectrum",function(){this.vwr.close("views");this.vwr.close(this.getSourceID());this.vwr.execView("*",!0)});B(self.c$);c$=t(JSV.common.PanelData,"LinkMode",Enum);c$.getMode=c(c$,"getMode",function(a){if(a.equals("*"))return JSV.common.PanelData.LinkMode.ALL; +for(var b,c=0,e=JSV.common.PanelData.LinkMode.values();ce.length)){this.clear();null!=a&&(this.myParams.peakListInterpolation=a.peakListInterpolation,this.myParams.peakListThreshold=a.peakListThreshold);a=this.myParams.peakListInterpolation.equals("parabolic");var f=this.spec.isInverted();this.minY=c.minYOnScale; -this.maxY=c.maxYOnScale;var h=c.minXOnScale;c=c.maxXOnScale;this.thresh=this.myParams.peakListThreshold;Double.isNaN(this.thresh)&&(this.thresh=this.myParams.peakListThreshold=(this.minY+this.maxY)/2);var r=0,j=L(-1,[e[0].getYVal(),r=e[1].getYVal(),0]),l=0;if(f)for(f=2;fr&&r=h||r<=c))if(r=(new JSV.common.PeakPick).setValue(r,k,this.spec,null,0), -this.addLast(r),100==++l)break;r=k}else for(f=2;fthis.thresh&&(j[(f-2)%3]k)&&(r=a?JSV.common.Coordinate.parabolicInterpolation(e,f-1):e[f-1].getXVal(),r>=h&&r<=c&&(r=(new JSV.common.PeakPick).setValue(r,k,this.spec,JU.DF.formatDecimalDbl(r,b),r),this.addLast(r),100==++l)))break;r=k}}},"JSV.common.Parameters,~N,JSV.common.ScaleData");c$.HNMR_HEADER=c$.prototype.HNMR_HEADER=w(-1,"peak shift/ppm intens shift/hz diff/hz 2-diff 3-diff".split(" "))});s("JSV.common"); -t(null,"JSV.common.PeakInfo",["JU.PT"],function(){c$=k(function(){this.px1=this.px0=this.yMax=this.yMin=this.xMax=this.xMin=0;this.atomKey=this._match=this.spectrum=this.id=this.atoms=this.model=this.title=this.filePathForwardSlash=this.file=this.index=this.type2=this.type=this.stringInfo=null;m(this,arguments)},JSV.common,"PeakInfo");n(c$,function(){});n(c$,function(a){this.stringInfo=a;this.type=JU.PT.getQuotedAttribute(a,"type");null==this.type&&(this.type="");this.type=this.type.toUpperCase(); +c$.isMatch=c(c$,"isMatch",function(a,b){return null==a||b.equalsIgnoreCase(a)},"~S,~S");c$.putInfo=c(c$,"putInfo",function(a,b,c,e){null!=e&&JSV.common.Parameters.isMatch(a,c)&&b.put(null==a?c:a,e)},"~S,java.util.Map,~S,~O")});r("JSV.common");s(["JSV.common.MeasurementData"],"JSV.common.PeakData",["java.lang.Double","JU.DF","JSV.common.Coordinate","$.PeakPick"],function(){c$=k(function(){this.maxY=this.minY=this.thresh=0;n(this,arguments)},JSV.common,"PeakData",JSV.common.MeasurementData);c(c$,"getThresh", +function(){return this.thresh});e(c$,"getDataHeader",function(){return this.spec.isHNMR()?JSV.common.PeakData.HNMR_HEADER:x(-1,["peak",this.spec.getXUnits(),this.spec.getYUnits()])});e(c$,"getMeasurementListArray",function(){for(var a=Array(this.size()),b=O(-1,[-1E100,1E100,1E100]),c,e=0,f=this.size();0<=--f;e++)c=this.spec.getPeakListArray(this.get(f),b,this.maxY),a[e]=2==c.length?x(-1,[""+(e+1),JU.DF.formatDecimalDbl(c[0],2),JU.DF.formatDecimalDbl(c[1],4)]):x(-1,[""+(e+1),JU.DF.formatDecimalDbl(c[0], +4),JU.DF.formatDecimalDbl(c[1],4),JU.DF.formatDecimalDbl(c[2],2),0==c[3]?"":JU.DF.formatDecimalDbl(c[3],2),0==c[4]?"":JU.DF.formatDecimalDbl(c[4],2),0==c[5]?"":JU.DF.formatDecimalDbl(c[5],2)]);return a},"~S");e(c$,"getMeasurementListArrayReal",function(){for(var a=O(this.size(),0),b=O(-1,[-1E100,1E100,1E100]),c=0,e=this.size();0<=--e;c++)a[c]=this.spec.getPeakListArray(this.get(e),b,this.maxY);return a},"~S");c(c$,"getInfo",function(a){a.put("interpolation",this.myParams.peakListInterpolation);a.put("threshold", +Double.$valueOf(this.myParams.peakListThreshold));Q(this,JSV.common.PeakData,"getInfo",[a])},"java.util.Map");c(c$,"setPeakList",function(a,b,c){this.precision=-2147483648==b?this.spec.getDefaultUnitPrecision():b;var e=this.spec.getXYCoords();if(!(3>e.length)){this.clear();null!=a&&(this.myParams.peakListInterpolation=a.peakListInterpolation,this.myParams.peakListThreshold=a.peakListThreshold);a=this.myParams.peakListInterpolation.equals("parabolic");var f=this.spec.isInverted();this.minY=c.minYOnScale; +this.maxY=c.maxYOnScale;var g=c.minXOnScale;c=c.maxXOnScale;this.thresh=this.myParams.peakListThreshold;Double.isNaN(this.thresh)&&(this.thresh=this.myParams.peakListThreshold=(this.minY+this.maxY)/2);var k=0,j=O(-1,[e[0].getYVal(),k=e[1].getYVal(),0]),l=0;if(f)for(f=2;fk&&k=g||k<=c))if(k=(new JSV.common.PeakPick).setValue(k,m,this.spec,null,0), +this.addLast(k),100==++l)break;k=m}else for(f=2;fthis.thresh&&(j[(f-2)%3]m)&&(k=a?JSV.common.Coordinate.parabolicInterpolation(e,f-1):e[f-1].getXVal(),k>=g&&k<=c&&(k=(new JSV.common.PeakPick).setValue(k,m,this.spec,JU.DF.formatDecimalDbl(k,b),k),this.addLast(k),100==++l)))break;k=m}}},"JSV.common.Parameters,~N,JSV.common.ScaleData");c$.HNMR_HEADER=c$.prototype.HNMR_HEADER=x(-1,"peak shift/ppm intens shift/hz diff/hz 2-diff 3-diff".split(" "))});r("JSV.common"); +s(null,"JSV.common.PeakInfo",["JU.PT"],function(){c$=k(function(){this.px1=this.px0=this.yMax=this.yMin=this.xMax=this.xMin=0;this.atomKey=this._match=this.spectrum=this.id=this.atoms=this.model=this.title=this.filePathForwardSlash=this.file=this.index=this.type2=this.type=this.stringInfo=null;n(this,arguments)},JSV.common,"PeakInfo");m(c$,function(){});m(c$,function(a){this.stringInfo=a;this.type=JU.PT.getQuotedAttribute(a,"type");null==this.type&&(this.type="");this.type=this.type.toUpperCase(); var b=this.type.indexOf("/");this.type2=0>b?"":JSV.common.PeakInfo.fixType(this.type.substring(this.type.indexOf("/")+1));this.type=0<=b?JSV.common.PeakInfo.fixType(this.type.substring(0,b))+"/"+this.type2:JSV.common.PeakInfo.fixType(this.type);this.id=JU.PT.getQuotedAttribute(a,"id");this.index=JU.PT.getQuotedAttribute(a,"index");this.file=JU.PT.getQuotedAttribute(a,"file");System.out.println("pi file="+this.file);this.filePathForwardSlash=null==this.file?null:this.file.$replace("\\","/");this.model= JU.PT.getQuotedAttribute(a,"model");a.contains('baseModel=""')||(this.atoms=JU.PT.getQuotedAttribute(a,"atoms"));this.atomKey=","+this.atoms+",";this.title=JU.PT.getQuotedAttribute(a,"title");this._match=JU.PT.getQuotedAttribute(a,"_match");this.xMax=JU.PT.parseFloat(JU.PT.getQuotedAttribute(a,"xMax"));this.xMin=JU.PT.parseFloat(JU.PT.getQuotedAttribute(a,"xMin"));this.yMax=JU.PT.parseFloat(JU.PT.getQuotedAttribute(a,"yMax"));this.yMin=JU.PT.parseFloat(JU.PT.getQuotedAttribute(a,"yMin"))},"~S");c(c$, "isClearAll",function(){return null==this.spectrum});c(c$,"getType",function(){return this.type});c(c$,"getAtoms",function(){return this.atoms});c(c$,"getXMax",function(){return this.xMax});c(c$,"getXMin",function(){return this.xMin});c(c$,"getYMin",function(){return this.yMin});c(c$,"getYMax",function(){return this.yMax});c(c$,"getX",function(){return(this.xMax+this.xMin)/2});c(c$,"getMatch",function(){return this._match});c$.fixType=c(c$,"fixType",function(a){return a.equals("HNMR")?"1HNMR":a.equals("CNMR")? "13CNMR":a},"~S");e(c$,"toString",function(){return this.stringInfo});c(c$,"getIndex",function(){return this.index});c(c$,"getTitle",function(){return this.title});c(c$,"checkFileIndex",function(a,b,c){return null!=c?0<=this.atomKey.indexOf(c):b.equals(this.index)&&(a.equals(this.file)||a.equals(this.filePathForwardSlash))},"~S,~S,~S");c(c$,"checkFileTypeModel",function(a,b,c){return a.equals(this.file)&&this.checkModel(c)&&this.type.endsWith(b)},"~S,~S,~S");c(c$,"checkTypeModel",function(a,b){return this.checkType(a)&& this.checkModel(b)},"~S,~S");c(c$,"checkModel",function(a){return null!=a&&a.equals(this.model)},"~S");c(c$,"checkType",function(a){return a.endsWith(this.type)},"~S");c(c$,"checkTypeMatch",function(a){return this.checkType(a.type)&&(this.checkId(a._match)||this.checkModel(a._match)||0<=this.title.toUpperCase().indexOf(a._match))},"JSV.common.PeakInfo");c(c$,"checkId",function(a){return null==a?!1:null!=this.id&&a.toUpperCase().startsWith("ID=")&&a.substring(3).equals(this.id)||(a=a.toUpperCase()).startsWith("INDEX=")&& -a.equals("INDEX="+this.index)||a.startsWith("#=")&&a.equals("#="+this.index)},"~S");c(c$,"getModel",function(){return this.model});c(c$,"getFilePath",function(){return this.file});c(c$,"autoSelectOnLoad",function(){return this.type.startsWith("GC")});c(c$,"setPixelRange",function(a,b){this.px0=a;this.px1=b},"~N,~N");c(c$,"checkRange",function(a,b){return(2147483647!=a?this.px0<=a&&this.px1>=a:b>=this.xMin&&b<=this.xMax)?Math.abs(b-this.getX()):1E100},"~N,~N");c(c$,"getXPixel",function(){return x((this.px0+ -this.px1)/2)});c$.nullPeakInfo=c$.prototype.nullPeakInfo=new JSV.common.PeakInfo});s("JSV.common");t(["JSV.common.Measurement"],"JSV.common.PeakPick",null,function(){c$=u(JSV.common,"PeakPick",JSV.common.Measurement);c(c$,"setValue",function(a,b,c,e,f){null==e?(this.set(a,b),this.setPt2(c,!1)):(this.setA(a,b,c,e,!1,!1,0,6),this.value=f,this.setPt2(this.getXVal(),this.getYVal()));return this},"~N,~N,JSV.common.Spectrum,~S,~N")});s("JSV.common");t(["java.util.EventObject"],"JSV.common.PeakPickEvent", -null,function(){c$=k(function(){this.peakInfo=this.coord=null;m(this,arguments)},JSV.common,"PeakPickEvent",java.util.EventObject);n(c$,function(a,b,c){z(this,JSV.common.PeakPickEvent,[a]);this.coord=b;this.peakInfo=null==c?null:c},"~O,JSV.common.Coordinate,JSV.common.PeakInfo");c(c$,"getCoord",function(){return this.coord});c(c$,"getPeakInfo",function(){return this.peakInfo});e(c$,"toString",function(){return null==this.peakInfo?null:this.peakInfo.toString()})});s("JSV.common");t(["JSV.common.Coordinate", -"$.ScriptToken"],"JSV.common.PlotWidget",null,function(){c$=k(function(){this.yPixel1=this.xPixel1=this.yPixel0=this.xPixel0=0;this.is2Donly=this.is2D=this.isXtype=this.isPinOrCursor=this.isPin=!1;this.isEnabled=!0;this.isVisible=!1;this.color=this.name=null;m(this,arguments)},JSV.common,"PlotWidget",JSV.common.Coordinate);F(c$,function(){this.color=JSV.common.ScriptToken.PLOTCOLOR});e(c$,"toString",function(){return this.name+(!this.isPinOrCursor?""+this.xPixel0+" "+this.yPixel0+" / "+this.xPixel1+ -" "+this.yPixel1:" x="+this.getXVal()+"/"+this.xPixel0+" y="+this.getYVal()+"/"+this.yPixel0)});n(c$,function(a){z(this,JSV.common.PlotWidget,[]);this.name=a;this.isPin="p"==a.charAt(0);this.isPinOrCursor="z"!=a.charAt(0);this.isXtype=0<=a.indexOf("x");this.is2Donly=(this.is2D=0<=a.indexOf("2D"))&&"p"==a.charAt(0)},"~S");c(c$,"selected",function(a,b){return this.isVisible&&5>Math.abs(a-this.xPixel0)&&5>Math.abs(b-this.yPixel0)},"~N,~N");c(c$,"setX",function(a,b){this.setXVal(a);this.xPixel0=this.xPixel1= -b},"~N,~N");c(c$,"setY",function(a,b){this.setYVal(a);this.yPixel0=this.yPixel1=b},"~N,~N");c(c$,"getValue",function(){return this.isXtype?this.getXVal():this.getYVal()});c(c$,"setEnabled",function(a){this.isEnabled=a},"~B")});s("JSV.common");c$=k(function(){this.imageableWidth=this.imageableHeight=this.paperWidth=this.paperHeight=this.imageableY=this.imageableX=0;this.layout="landscape";this.position="fit to page";this.showTitle=this.showYScale=this.showXScale=this.showGrid=!0;this.font="Helvetica"; -this.paper=null;this.asPDF=!0;this.date=this.title=null;m(this,arguments)},JSV.common,"PrintLayout");F(c$,function(){this.paperHeight=G(72*Math.min(11,11.69));this.paperWidth=G(72*Math.min(8.5,8.27));this.imageableHeight=this.paperHeight;this.imageableWidth=this.paperWidth});n(c$,function(a){null!=a&&(this.asPDF=!0,a.setDefaultPrintOptions(this))},"JSV.common.PanelData");s("JSV.common");t(null,"JSV.common.RepaintManager",["JSV.common.JSViewer"],function(){c$=k(function(){this.repaintPending=!1;this.vwr= -null;m(this,arguments)},JSV.common,"RepaintManager");n(c$,function(a){this.vwr=a},"JSV.common.JSViewer");c(c$,"refresh",function(){if(this.repaintPending)return!1;this.repaintPending=!0;var a=this.vwr.html5Applet,b=JSV.common.JSViewer.isJS&&!JSV.common.JSViewer.isSwingJS?JSV.common.JSViewer.jmolObject:null;null==b?this.vwr.selectedPanel.repaint():(b.repaint(a,!1),this.repaintDone());return!0});c(c$,"repaintDone",function(){this.repaintPending=!1;this.notify()})});s("JSV.common");t(null,"JSV.common.ScaleData", +a.equals("INDEX="+this.index)||a.startsWith("#=")&&a.equals("#="+this.index)},"~S");c(c$,"getModel",function(){return this.model});c(c$,"getFilePath",function(){return this.file});c(c$,"autoSelectOnLoad",function(){return this.type.startsWith("GC")});c(c$,"setPixelRange",function(a,b){this.px0=a;this.px1=b},"~N,~N");c(c$,"checkRange",function(a,b){return(2147483647!=a?this.px0<=a&&this.px1>=a:b>=this.xMin&&b<=this.xMax)?Math.abs(b-this.getX()):1E100},"~N,~N");c(c$,"getXPixel",function(){return v((this.px0+ +this.px1)/2)});c$.nullPeakInfo=c$.prototype.nullPeakInfo=new JSV.common.PeakInfo});r("JSV.common");s(["JSV.common.Measurement"],"JSV.common.PeakPick",null,function(){c$=t(JSV.common,"PeakPick",JSV.common.Measurement);c(c$,"setValue",function(a,b,c,e,f){null==e?(this.set(a,b),this.setPt2(c,!1)):(this.setA(a,b,c,e,!1,!1,0,6),this.value=f,this.setPt2(this.getXVal(),this.getYVal()));return this},"~N,~N,JSV.common.Spectrum,~S,~N")});r("JSV.common");s(["java.util.EventObject"],"JSV.common.PeakPickEvent", +null,function(){c$=k(function(){this.peakInfo=this.coord=null;n(this,arguments)},JSV.common,"PeakPickEvent",java.util.EventObject);m(c$,function(a,b,c){y(this,JSV.common.PeakPickEvent,[a]);this.coord=b;this.peakInfo=null==c?null:c},"~O,JSV.common.Coordinate,JSV.common.PeakInfo");c(c$,"getCoord",function(){return this.coord});c(c$,"getPeakInfo",function(){return this.peakInfo});e(c$,"toString",function(){return null==this.peakInfo?null:this.peakInfo.toString()})});r("JSV.common");s(["JSV.common.Coordinate", +"$.ScriptToken"],"JSV.common.PlotWidget",null,function(){c$=k(function(){this.yPixel1=this.xPixel1=this.yPixel0=this.xPixel0=0;this.is2Donly=this.is2D=this.isXtype=this.isPinOrCursor=this.isPin=!1;this.isEnabled=!0;this.isVisible=!1;this.color=this.name=null;n(this,arguments)},JSV.common,"PlotWidget",JSV.common.Coordinate);H(c$,function(){this.color=JSV.common.ScriptToken.PLOTCOLOR});e(c$,"toString",function(){return this.name+(!this.isPinOrCursor?""+this.xPixel0+" "+this.yPixel0+" / "+this.xPixel1+ +" "+this.yPixel1:" x="+this.getXVal()+"/"+this.xPixel0+" y="+this.getYVal()+"/"+this.yPixel0)});m(c$,function(a){y(this,JSV.common.PlotWidget,[]);this.name=a;this.isPin="p"==a.charAt(0);this.isPinOrCursor="z"!=a.charAt(0);this.isXtype=0<=a.indexOf("x");this.is2Donly=(this.is2D=0<=a.indexOf("2D"))&&"p"==a.charAt(0)},"~S");c(c$,"selected",function(a,b){return this.isVisible&&5>Math.abs(a-this.xPixel0)&&5>Math.abs(b-this.yPixel0)},"~N,~N");c(c$,"setX",function(a,b){this.setXVal(a);this.xPixel0=this.xPixel1= +b},"~N,~N");c(c$,"setY",function(a,b){this.setYVal(a);this.yPixel0=this.yPixel1=b},"~N,~N");c(c$,"getValue",function(){return this.isXtype?this.getXVal():this.getYVal()});c(c$,"setEnabled",function(a){this.isEnabled=a},"~B")});r("JSV.common");c$=k(function(){this.imageableWidth=this.imageableHeight=this.paperWidth=this.paperHeight=this.imageableY=this.imageableX=0;this.layout="landscape";this.position="fit to page";this.showTitle=this.showYScale=this.showXScale=this.showGrid=!0;this.font="Helvetica"; +this.paper=null;this.asPDF=!0;this.date=this.title=null;n(this,arguments)},JSV.common,"PrintLayout");H(c$,function(){this.paperHeight=I(72*Math.min(11,11.69));this.paperWidth=I(72*Math.min(8.5,8.27));this.imageableHeight=this.paperHeight;this.imageableWidth=this.paperWidth});m(c$,function(a){null!=a&&(this.asPDF=!0,a.setDefaultPrintOptions(this))},"JSV.common.PanelData");r("JSV.common");s(null,"JSV.common.RepaintManager",["JSV.common.JSViewer"],function(){c$=k(function(){this.repaintPending=!1;this.vwr= +null;n(this,arguments)},JSV.common,"RepaintManager");m(c$,function(a){this.vwr=a},"JSV.common.JSViewer");c(c$,"refresh",function(){if(this.repaintPending)return!1;this.repaintPending=!0;var a=this.vwr.html5Applet,b=JSV.common.JSViewer.isJS&&!JSV.common.JSViewer.isSwingJS?JSV.common.JSViewer.jmolObject:null;null==b?this.vwr.selectedPanel.repaint():(b.repaint(a,!1),this.repaintDone());return!0});c(c$,"repaintDone",function(){this.repaintPending=!1;this.notify()})});r("JSV.common");s(null,"JSV.common.ScaleData", ["java.lang.Double","JSV.common.Coordinate"],function(){c$=k(function(){this.maxX=this.minX=this.pointCount=this.endDataPointIndex=this.startDataPointIndex=this.initMaxY=this.initMinY=this.initMaxYOnScale=this.initMinYOnScale=0;this.firstX=NaN;this.specShift=this.maxXOnScale=this.minXOnScale=0;this.minorTickCounts=this.steps=this.exportPrecision=this.precision=null;this.maxY=this.minY=this.maxYOnScale=this.minYOnScale=0;this.isShiftZoomedY=!1;this.spectrumScaleFactor=1;this.spectrumYRef=0;this.userYFactor= -1;this.yFactorForScale=this.xFactorForScale=this.maxY2D=this.minY2D=this.firstY=0;m(this,arguments)},JSV.common,"ScaleData");F(c$,function(){this.precision=E(2,0);this.exportPrecision=E(2,0);this.steps=L(2,0);this.minorTickCounts=E(2,0)});n(c$,function(){});n(c$,function(a,b){this.startDataPointIndex=a;this.endDataPointIndex=b;this.pointCount=this.endDataPointIndex-this.startDataPointIndex+1},"~N,~N");n(c$,function(a,b,c,e,f){this.minX=JSV.common.Coordinate.getMinX(a,b,c);this.maxX=JSV.common.Coordinate.getMaxX(a, +1;this.yFactorForScale=this.xFactorForScale=this.maxY2D=this.minY2D=this.firstY=0;n(this,arguments)},JSV.common,"ScaleData");H(c$,function(){this.precision=E(2,0);this.exportPrecision=E(2,0);this.steps=O(2,0);this.minorTickCounts=E(2,0)});m(c$,function(){});m(c$,function(a,b){this.startDataPointIndex=a;this.endDataPointIndex=b;this.pointCount=this.endDataPointIndex-this.startDataPointIndex+1},"~N,~N");m(c$,function(a,b,c,e,f){this.minX=JSV.common.Coordinate.getMinX(a,b,c);this.maxX=JSV.common.Coordinate.getMaxX(a, b,c);this.minY=JSV.common.Coordinate.getMinY(a,b,c);0this.spectrumYRef});c(c$,"setYScale",function(a,b,c,e){0==a&&0==b&&(b=1);this.isShiftZoomedY&&(a=this.minYOnScale,b=this.maxYOnScale);var f=this.setScaleParams(a,b,1),h=e?f/2:f/4;e=e?f/4:f/2;this.isShiftZoomedY||(this.minYOnScale=0==a?0:c?h*Math.floor(a/h):a,this.maxYOnScale=c?e*Math.ceil(1.05*b/e):b);this.firstY=0==a?0:Math.floor(a/h)*h;if(0>this.minYOnScale&&0this.minYOnScale;)this.firstY-=f;else 0!=this.minYOnScale&&1E-4=c){k[a]=l;m=1;break}for(;++l<=h&&b[l].getXVal()<=e;)m++;j[a]=k[a]+m-1;return m},"~N,~A,~N,~N,~N,~N,~A,~A");c(c$,"setScaleParams",function(a,b,c){a=b==a?1:Math.abs(b-a)/14;var e=Math.log10(Math.abs(a));b=x(Math.floor(e));this.exportPrecision[c]=b;this.precision[c]=0>=b?Math.min(8,1-b):3JSV.common.ScaleData.NTICKS[a];)a++;this.steps[c]=Math.pow(10,b)*JSV.common.ScaleData.NTICKS[a];e=Math.log10(Math.abs(100010* +this.maxXOnScale=this.maxX});c(c$,"isYZeroOnScale",function(){return this.minYOnScalethis.spectrumYRef});c(c$,"setYScale",function(a,b,c,e){0==a&&0==b&&(b=1);this.isShiftZoomedY&&(a=this.minYOnScale,b=this.maxYOnScale);var f=this.setScaleParams(a,b,1),g=e?f/2:f/4;e=e?f/4:f/2;this.isShiftZoomedY||(this.minYOnScale=0==a?0:c?g*Math.floor(a/g):a,this.maxYOnScale=c?e*Math.ceil(1.05*b/e):b);this.firstY=0==a?0:Math.floor(a/g)*g;if(0>this.minYOnScale&&0this.minYOnScale;)this.firstY-=f;else 0!=this.minYOnScale&&1E-4=c){k[a]=l;m=1;break}for(;++l<=g&&b[l].getXVal()<=e;)m++;j[a]=k[a]+m-1;return m},"~N,~A,~N,~N,~N,~N,~A,~A");c(c$,"setScaleParams",function(a,b,c){a=b==a?1:Math.abs(b-a)/14;var e=Math.log10(Math.abs(a));b=v(Math.floor(e));this.exportPrecision[c]=b;this.precision[c]=0>=b?Math.min(8,1-b):3JSV.common.ScaleData.NTICKS[a];)a++;this.steps[c]=Math.pow(10,b)*JSV.common.ScaleData.NTICKS[a];e=Math.log10(Math.abs(100010* this.steps[c]));b=e-Math.floor(e);for(a=e=0;aMath.abs(b-JSV.common.ScaleData.LOGTICKS[a])){e=JSV.common.ScaleData.NTICKS[a];break}this.minorTickCounts[c]=e;return this.steps[c]},"~N,~N,~N");c(c$,"isInRangeX",function(a){return a>=this.minX&&a<=this.maxX},"~N");c(c$,"addSpecShift",function(a){this.specShift+=a;this.minX+=a;this.maxX+=a;this.minXOnScale+=a;this.maxXOnScale+=a;this.firstX+=a},"~N");c(c$,"getInfo",function(a){a.put("specShift",Double.$valueOf(this.specShift)); a.put("minX",Double.$valueOf(this.minX));a.put("maxX",Double.$valueOf(this.maxX));a.put("minXOnScale",Double.$valueOf(this.minXOnScale));a.put("maxXOnScale",Double.$valueOf(this.maxXOnScale));a.put("minY",Double.$valueOf(this.minY));a.put("maxY",Double.$valueOf(this.maxY));a.put("minYOnScale",Double.$valueOf(this.minYOnScale));a.put("maxYOnScale",Double.$valueOf(this.maxYOnScale));a.put("minorTickCountX",Integer.$valueOf(this.minorTickCounts[0]));a.put("xStep",Double.$valueOf(this.steps[0]));return a}, "java.util.Map");c(c$,"setMinMax",function(a,b,c,e){this.minX=a;this.maxX=b;this.minY=c;this.maxY=e},"~N,~N,~N,~N");c(c$,"toX",function(a,b,c){return this.toXScaled(a,b,c,this.xFactorForScale)},"~N,~N,~B");c(c$,"toX0",function(a,b,c,e){return this.toXScaled(a,c,e,(this.maxXOnScale-this.minXOnScale)/(c-b))},"~N,~N,~N,~B");c(c$,"toXScaled",function(a,b,c,e){return c?this.maxXOnScale-(b-a)*e:this.minXOnScale+(b-a)*e},"~N,~N,~B,~N");c(c$,"toPixelX",function(a,b,c,e){return this.toPixelXScaled(a,b,c,e, -this.xFactorForScale)},"~N,~N,~N,~B");c(c$,"toPixelX0",function(a,b,c,e){return this.toPixelXScaled(a,b,c,e,(this.maxXOnScale-this.minXOnScale)/(c-b))},"~N,~N,~N,~B");c(c$,"toPixelXScaled",function(a,b,c,e,f){a=x((a-this.minXOnScale)/f);return e?b+a:c-a},"~N,~N,~N,~B,~N");c(c$,"toY",function(a,b){return this.maxYOnScale+(b-a)*this.yFactorForScale},"~N,~N");c(c$,"toY0",function(a,b,c){return Math.max(this.minYOnScale,Math.min(this.maxYOnScale+(b-a)*((this.maxYOnScale-this.minYOnScale)/(c-b)),this.maxYOnScale))}, -"~N,~N,~N");c(c$,"toPixelY",function(a,b){return Double.isNaN(a)?-2147483648:b-x(((a-this.spectrumYRef)*this.userYFactor+this.spectrumYRef-this.minYOnScale)/this.yFactorForScale)},"~N,~N");c(c$,"toPixelY0",function(a,b,c){return x(b+(this.maxYOnScale-a)/((this.maxYOnScale-this.minYOnScale)/(c-b)))},"~N,~N,~N");c(c$,"setXYScale",function(a,b,c){var e=this.spectrumYRef,f=this.spectrumScaleFactor,h=1!=f||this.isShiftZoomedY,k=h?this.initMinYOnScale:this.minY,j=h?this.initMaxYOnScale:this.maxY;h&&ej&&(e=j);this.setYScale((k-e)/f+e,(j-e)/f+e,1==f,c);this.xFactorForScale=(this.maxXOnScale-this.minXOnScale)/(a-1);this.yFactorForScale=(this.maxYOnScale-this.minYOnScale)/(b-1)},"~N,~N,~B");c$.copyScaleFactors=c(c$,"copyScaleFactors",function(a,b){for(var c=0;c= +this.xFactorForScale)},"~N,~N,~N,~B");c(c$,"toPixelX0",function(a,b,c,e){return this.toPixelXScaled(a,b,c,e,(this.maxXOnScale-this.minXOnScale)/(c-b))},"~N,~N,~N,~B");c(c$,"toPixelXScaled",function(a,b,c,e,f){a=v((a-this.minXOnScale)/f);return e?b+a:c-a},"~N,~N,~N,~B,~N");c(c$,"toY",function(a,b){return this.maxYOnScale+(b-a)*this.yFactorForScale},"~N,~N");c(c$,"toY0",function(a,b,c){return Math.max(this.minYOnScale,Math.min(this.maxYOnScale+(b-a)*((this.maxYOnScale-this.minYOnScale)/(c-b)),this.maxYOnScale))}, +"~N,~N,~N");c(c$,"toPixelY",function(a,b){return Double.isNaN(a)?-2147483648:b-v(((a-this.spectrumYRef)*this.userYFactor+this.spectrumYRef-this.minYOnScale)/this.yFactorForScale)},"~N,~N");c(c$,"toPixelY0",function(a,b,c){return v(b+(this.maxYOnScale-a)/((this.maxYOnScale-this.minYOnScale)/(c-b)))},"~N,~N,~N");c(c$,"setXYScale",function(a,b,c){var e=this.spectrumYRef,f=this.spectrumScaleFactor,g=1!=f||this.isShiftZoomedY,k=g?this.initMinYOnScale:this.minY,j=g?this.initMaxYOnScale:this.maxY;g&&ej&&(e=j);this.setYScale((k-e)/f+e,(j-e)/f+e,1==f,c);this.xFactorForScale=(this.maxXOnScale-this.minXOnScale)/(a-1);this.yFactorForScale=(this.maxYOnScale-this.minYOnScale)/(b-1)},"~N,~N,~B");c$.copyScaleFactors=c(c$,"copyScaleFactors",function(a,b){for(var c=0;c= e&&k++}return k==j},"JU.Lst,~N,~N,~N,~A,~A");c$.fixScale=c(c$,"fixScale",function(a){if(!a.isEmpty())for(;;){for(var b,c=a.entrySet().iterator();c.hasNext()&&((b=c.next())||1);){var e=b.getValue(),f=e.indexOf("E");0<=f&&(e=e.substring(0,f));if(0>e.indexOf(".")||!e.endsWith("0")&&!e.endsWith("."))return}for(c=a.entrySet().iterator();c.hasNext()&&((b=c.next())||1);)e=b.getValue(),f=e.indexOf("E"),0<=f?b.setValue(e.substring(0,f-1)+e.substring(f)):b.setValue(e.substring(0,e.length-1))}},"java.util.Map"); -c(c$,"scaleBy",function(a){if(this.isShiftZoomedY){var b=this.isYZeroOnScale()?this.spectrumYRef:(this.minYOnScale+this.maxYOnScale)/2;this.minYOnScale=b-(b-this.minYOnScale)/a;this.maxYOnScale=b-(b-this.maxYOnScale)/a}else this.spectrumScaleFactor*=a},"~N");D(c$,"NTICKS",E(-1,[2,5,10,10]));c$.LOGTICKS=c$.prototype.LOGTICKS=L(-1,[Math.log10(2),Math.log10(5),0,1])});s("JSV.common");t(["java.lang.Enum"],"JSV.common.ScriptToken",["java.util.Hashtable","JU.Lst","$.PT","$.SB","JSV.common.ScriptTokenizer"], -function(){c$=k(function(){this.description=this.tip=null;m(this,arguments)},JSV.common,"ScriptToken",Enum);c(c$,"getTip",function(){return" "+("T"===this.tip?"TRUE/FALSE/TOGGLE":"TF"===this.tip?"TRUE or FALSE":"C"===this.tip?"COLOR":this.tip)});n(c$,function(){});n(c$,function(a){this.tip=a;this.description=""},"~S");n(c$,function(a,b){this.tip=a;this.description="-- "+b},"~S,~S");c$.getParams=c(c$,"getParams",function(){if(null==JSV.common.ScriptToken.htParams){JSV.common.ScriptToken.htParams= +c(c$,"scaleBy",function(a){if(this.isShiftZoomedY){var b=this.isYZeroOnScale()?this.spectrumYRef:(this.minYOnScale+this.maxYOnScale)/2;this.minYOnScale=b-(b-this.minYOnScale)/a;this.maxYOnScale=b-(b-this.maxYOnScale)/a}else this.spectrumScaleFactor*=a},"~N");D(c$,"NTICKS",E(-1,[2,5,10,10]));c$.LOGTICKS=c$.prototype.LOGTICKS=O(-1,[Math.log10(2),Math.log10(5),0,1])});r("JSV.common");s(["java.lang.Enum"],"JSV.common.ScriptToken",["java.util.Hashtable","JU.Lst","$.PT","$.SB","JSV.common.ScriptTokenizer"], +function(){c$=k(function(){this.description=this.tip=null;n(this,arguments)},JSV.common,"ScriptToken",Enum);c(c$,"getTip",function(){return" "+("T"===this.tip?"TRUE/FALSE/TOGGLE":"TF"===this.tip?"TRUE or FALSE":"C"===this.tip?"COLOR":this.tip)});m(c$,function(){});m(c$,function(a){this.tip=a;this.description=""},"~S");m(c$,function(a,b){this.tip=a;this.description="-- "+b},"~S,~S");c$.getParams=c(c$,"getParams",function(){if(null==JSV.common.ScriptToken.htParams){JSV.common.ScriptToken.htParams= new java.util.Hashtable;for(var a,b=0,c=JSV.common.ScriptToken.values();bb?"":a.substring(b).trim()},"~S");c$.getKey=c(c$,"getKey",function(a){var b=a.nextToken();if(b.startsWith("#")||b.startsWith("//"))return null; @@ -1089,19 +1090,19 @@ q(c$,"POINTSONLY",55,["TF","show points only for all data"]);q(c$,"PRINT",56,["" q(c$,"SHOWMEASUREMENTS",68,["T","shows a listing of measurements"]);q(c$,"SHOWMENU",69,["displays the popup menu"]);q(c$,"SHOWPEAKLIST",70,["T","shows a listing for peak picking"]);q(c$,"SHOWPROPERTIES",71,["displays the header information of a JDX file"]);q(c$,"SHOWSOURCE",72,["displays the source JDX file associated with the selected data"]);q(c$,"SPECTRUM",73,["id","displays a specific spectrum, where id is a number 1, 2, 3... or a file.spectrum number such as 2.1"]);q(c$,"SPECTRUMNUMBER",74,["n", "displays the nth spectrum loaded"]);q(c$,"STACKOFFSETY",75,["percent","sets the y-axis offset of stacked spectra"]);q(c$,"STARTINDEX",76,[]);q(c$,"SYNCCALLBACKFUNCTIONNAME",77,[]);q(c$,"SYNCID",78,[]);q(c$,"TEST",79,[]);q(c$,"TITLEON",80,["T","turns the title in the bottom left corner on or off"]);q(c$,"TITLEBOLDON",81,["T","makes the title bold"]);q(c$,"TITLECOLOR",82,["C","sets the color of the title"]);q(c$,"TITLEFONTNAME",83,["fontName","sets the title font"]);q(c$,"UNITSCOLOR",84,["C","sets the color of the x-axis and y-axis units"]); q(c$,"VERSION",85,[]);q(c$,"VIEW",86,['spectrumID, spectrumID, ... Example: VIEW 3.1, 3.2 or VIEW "acetophenone"',"creates a view of one or more spectra"]);q(c$,"XSCALEON",87,["T","set FALSE to turn off the x-axis scale"]);q(c$,"XUNITSON",88,["T","set FALSE to turn off the x-axis units"]);q(c$,"YSCALE",89,["[ALL] lowValue highValue"]);q(c$,"YSCALEON",90,["T","set FALSE to turn off the y-axis scale"]);q(c$,"YUNITSON",91,["T","set FALSE to turn off the y-axis units"]);q(c$,"WINDOW",92,[]);q(c$,"WRITE", -93,['[XY,DIF,DIFDUP,PAC,FIX,SQZ,AML,CML,JPG,PDF,PNG,SVG] "filename"',"writes a file in the specified format"]);q(c$,"ZOOM",94,["OUT or PREVIOUS or NEXT or x1,x2 or x1,y1 x2,y2","sets the zoom"]);q(c$,"ZOOMBOXCOLOR",95,[]);q(c$,"ZOOMBOXCOLOR2",96,[])});s("JSV.common");t(null,"JSV.common.ScriptTokenizer",["JU.PT"],function(){c$=k(function(){this.str=null;this.pt=-1;this.len=0;this.isCmd=!1;this.doCheck=!0;m(this,arguments)},JSV.common,"ScriptTokenizer");n(c$,function(a,b){this.str=a;this.len=a.length; +93,['[XY,DIF,DIFDUP,PAC,FIX,SQZ,AML,CML,JPG,PDF,PNG,SVG] "filename"',"writes a file in the specified format"]);q(c$,"ZOOM",94,["OUT or PREVIOUS or NEXT or x1,x2 or x1,y1 x2,y2","sets the zoom"]);q(c$,"ZOOMBOXCOLOR",95,[]);q(c$,"ZOOMBOXCOLOR2",96,[])});r("JSV.common");s(null,"JSV.common.ScriptTokenizer",["JU.PT"],function(){c$=k(function(){this.str=null;this.pt=-1;this.len=0;this.isCmd=!1;this.doCheck=!0;n(this,arguments)},JSV.common,"ScriptTokenizer");m(c$,function(a,b){this.str=a;this.len=a.length; this.isCmd=b},"~S,~B");c$.nextStringToken=c(c$,"nextStringToken",function(a,b){var c=a.nextToken();return b&&'"'==c.charAt(0)&&c.endsWith('"')&&1l&&(f=j,j=l,l=f));a=a.get(0).isInverted();for(f=0;f=c){this.scaleData[a%this.scaleData.length].startDataPointIndex=k;break}for(;k<=h&&!(f=b[k].getXVal(),j++,f>=e);k++);this.scaleData[a%this.scaleData.length].endDataPointIndex=k;return j},"~N,~A,~N,~N,~N,~N"); +case ";":case "\n":if(this.isCmd&&!b)break;continue;default:continue}break}this.doCheck=!0;return this.str.substring(a,this.pt)});c(c$,"hasMoreTokens",function(){for(;++this.ptl&&(f=j,j=l,l=f));a=a.get(0).isInverted();for(f=0;f=c){this.scaleData[a%this.scaleData.length].startDataPointIndex=k;break}for(;k<=g&&!(f=b[k].getXVal(),j++,f>=e);k++);this.scaleData[a%this.scaleData.length].endDataPointIndex=k;return j},"~N,~A,~N,~N,~N,~N"); c(c$,"getStartingPointIndex",function(a){return this.scaleData[a%this.scaleData.length].startDataPointIndex},"~N");c(c$,"getEndingPointIndex",function(a){return this.scaleData[a%this.scaleData.length].endDataPointIndex},"~N");c(c$,"areYScalesSame",function(a,b){a%=this.scaleData.length;b%=this.scaleData.length;return this.scaleData[a].minYOnScale==this.scaleData[b].minYOnScale&&this.scaleData[a].maxYOnScale==this.scaleData[b].maxYOnScale},"~N,~N");c(c$,"setScale",function(a,b,c,e){this.iThisScale= a%this.scaleData.length;this.thisScale=this.scaleData[this.iThisScale];this.thisScale.setXYScale(b,c,e)},"~N,~N,~N,~B");c(c$,"resetScaleFactors",function(){for(var a=0;a=b||a>=this.nSpectra))if(-2==a)this.thisScale.scale2D(b);else if(0>a)for(a=0;aa?2:-2)},"~N");c(c$, +"JSV.api.JSVPanel,~A");c(c$,"saveDialogPosition",function(a){try{var b=this.manager.getLocationOnScreen(this.dialog);a[0]+=b[0]-this.loc[0];a[1]+=b[1]-this.loc[1]}catch(c){if(!z(c,Exception))throw c;}},"~A");c(c$,"getThreasholdText",function(a){if(Double.isNaN(a)){a=this.jsvp.getPanelData();var b=a.getSpectrum().isInverted()?0.1:0.9,c=a.getClickedCoordinate();a=null==c?(a.getView().minYOnScale*b+a.getView().maxYOnScale)*(1-b):c.getYVal()}return" "+JU.DF.formatDecimalDbl(a,1E3>a?2:-2)},"~N");c(c$, "checkVisible",function(){return this.vwr.pd().getShowAnnotation(this.type)});c(c$,"getUnitOptions",function(){var 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JSV.common.Annotation.AType.OverlayLegend:this.jsvp.getPanelData().setSpectrum(a, -!1)}}catch(j){if(!y(j,Exception))throw j;}}},"~N,~N");c(c$,"loadData",function(){var a,b,c;switch(this.type){case JSV.common.Annotation.AType.Integration:null==this.xyData&&this.createData();this.iSelected=-1;a=this.xyData.getMeasurementListArray(null);b=this.xyData.getDataHeader();c=E(-1,[40,65,65,50]);this.createTable(a,b,c);break;case JSV.common.Annotation.AType.Measurements:if(null==this.xyData)break;a=this.xyData.getMeasurementListArray(this.dialog.getSelectedItem(this.combo1).toString());b= -this.xyData.getDataHeader();c=E(-1,[40,65,65,50]);this.createTable(a,b,c);break;case JSV.common.Annotation.AType.PeakList:null==this.xyData&&this.createData();a=this.xyData.getMeasurementListArray(null);b=this.xyData.getDataHeader();c=E(-1,[40,65,50,50,50,50,50]);this.createTable(a,b,c);this.setTableSelectionEnabled(!0);break;case JSV.common.Annotation.AType.OverlayLegend:b=w(-1,["No.","Plot Color","Title"]),a=this.vwr.selectedPanel.getPanelData().getOverlayLegendData(),c=E(-1,[30,60,250]),this.createTable(a, +!0}this.setVisible(!0);this.isON=!0;this.applyFromFields()});c(c$,"tableCellSelect",function(a,b){System.out.println(a+" jSVDial "+b);0>a&&(a=v(this.iRowColSelected/1E3),b=this.iRowColSelected%1E3,this.iRowColSelected=-1);var c=this.tableData[a][1],e=1E3*a+b;if(e!=this.iRowColSelected){this.iRowColSelected=e;System.out.println("Setting rc = "+this.iRowColSelected+" "+this.$spec);this.selectTableRow(this.iRowSelected);try{switch(this.type){case JSV.common.Annotation.AType.Integration:this.callback("SHOWSELECTION", +c.toString());this.checkEnables();break;case JSV.common.Annotation.AType.PeakList:try{switch(b){case 6:case 5:case 4:var f=Double.parseDouble(c),g=Double.parseDouble(this.tableData[a+3-b][1]);this.jsvp.getPanelData().setXPointers(this.$spec,f,this.$spec,g);break;default:this.jsvp.getPanelData().findX(this.$spec,Double.parseDouble(c))}}catch(k){if(z(k,Exception))this.jsvp.getPanelData().findX(this.$spec,1E100);else throw k;}this.jsvp.doRepaint(!1);break;case JSV.common.Annotation.AType.OverlayLegend:this.jsvp.getPanelData().setSpectrum(a, +!1)}}catch(j){if(!z(j,Exception))throw j;}}},"~N,~N");c(c$,"loadData",function(){var a,b,c;switch(this.type){case JSV.common.Annotation.AType.Integration:null==this.xyData&&this.createData();this.iSelected=-1;a=this.xyData.getMeasurementListArray(null);b=this.xyData.getDataHeader();c=E(-1,[40,65,65,50]);this.createTable(a,b,c);break;case JSV.common.Annotation.AType.Measurements:if(null==this.xyData)break;a=this.xyData.getMeasurementListArray(this.dialog.getSelectedItem(this.combo1).toString());b= +this.xyData.getDataHeader();c=E(-1,[40,65,65,50]);this.createTable(a,b,c);break;case JSV.common.Annotation.AType.PeakList:null==this.xyData&&this.createData();a=this.xyData.getMeasurementListArray(null);b=this.xyData.getDataHeader();c=E(-1,[40,65,50,50,50,50,50]);this.createTable(a,b,c);this.setTableSelectionEnabled(!0);break;case JSV.common.Annotation.AType.OverlayLegend:b=x(-1,["No.","Plot Color","Title"]),a=this.vwr.selectedPanel.getPanelData().getOverlayLegendData(),c=E(-1,[30,60,250]),this.createTable(a, b,c),this.setTableSelectionEnabled(!0)}});c(c$,"createData",function(){switch(this.type){case JSV.common.Annotation.AType.Integration:this.xyData=new JSV.common.IntegralData(this.$spec,this.myParams);this.iSelected=-1;break;case JSV.common.Annotation.AType.PeakList:try{var a=Double.parseDouble(this.dialog.getText(this.txt1));this.myParams.peakListThreshold=a;this.myParams.peakListInterpolation=this.dialog.getSelectedItem(this.combo1).toString();this.myParams.precision=this.precision;var b=new JSV.common.PeakData(JSV.common.Annotation.AType.PeakList, -this.$spec);b.setPeakList(this.myParams,this.precision,this.jsvp.getPanelData().getView());this.xyData=b;this.loadData()}catch(c){if(!y(c,Exception))throw c;}}});c(c$,"setPrecision",function(a){this.precision=this.formatOptions[a]},"~N");c(c$,"tableSelect",function(a){if("true".equals(this.getField(a,"adjusting")))this.iColSelected=this.iRowSelected=-1,System.out.println("adjusting"+a);else{var b=JU.PT.parseInt(this.getField(a,"index"));switch("ROW COL ROWCOL".indexOf(this.getField(a,"selector"))){case 8:this.iColSelected= -JU.PT.parseInt(this.getField(a,"index2"));case 0:this.iRowSelected=b;System.out.println("r set to "+b);break;case 4:this.iColSelected=b,System.out.println("c set to 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null!=c?c:"null"},"~S,~S,~A,~B");c$.convertPointFromScreen=c(c$,"convertPointFromScreen",function(){},"~O,JU.P3");s("JSV.js2d");c$=u(JSV.js2d,"Image");c$.getWidth=c(c$,"getWidth",function(a){return a.imageWidth?a.imageWidth:a.width},"~O");c$.getHeight=c(c$,"getHeight",function(a){return a.imageHeight?a.imageHeight:a.height},"~O");c$.grabPixels=c(c$,"grabPixels",function(a, -b,c){var e=null;if(a._buf32)return a._buf32;e=a.getImageData(0,0,b,c).data;return JSV.js2d.Image.toIntARGB(e)},"~O,~N,~N");c$.toIntARGB=c(c$,"toIntARGB",function(a){for(var b=x(a.length/4),c=E(b,0),e=0,f=0;e>2,e=0,f=0;e>16&255,b[f++]=a[e]>>8&255,b[f++]=a[e]&255,b[f++]=255},"~A,~A");c$.getTextPixels=c(c$,"getTextPixels",function(a,b,c,e,f,h){c.fillStyle= -"#000000";c.fillRect(0,0,e,f);c.fillStyle="#FFFFFF";c.font=b.font;c.fillText(a,0,h);return JSV.js2d.Image.grabPixels(c,e,f)},"~S,JU.Font,~O,~N,~N,~N");c$.allocateRgbImage=c(c$,"allocateRgbImage",function(a,b,c,e,f,h){null==h&&(h={width:a,height:b});h.buf32=c},"~N,~N,~A,~N,~B,~O");c$.getStaticGraphics=c(c$,"getStaticGraphics",function(a){return JSV.js2d.Image.getGraphics(a)},"~O,~B");c$.getGraphics=c(c$,"getGraphics",function(a){return a.getContext("2d")},"~O");c$.drawImage=c(c$,"drawImage",function(a, -b,c,e){this.fromIntARGB(b.buf32,b.buf8);a.putImageData(b.imgdata,c,e)},"~O,~O,~N,~N,~N,~N");s("JSV.js2d");t(["J.api.GenericFileInterface"],"JSV.js2d.JsFile",["JU.PT","JSV.common.JSVFileManager"],function(){c$=k(function(){this.fullName=this.name=null;m(this,arguments)},JSV.js2d,"JsFile",null,J.api.GenericFileInterface);c$.newFile=c(c$,"newFile",function(a){return new JSV.js2d.JsFile(a)},"~S");n(c$,function(a){this.name=a.$replace("\\","/");this.fullName=a;!this.fullName.startsWith("/")&&0>JSV.common.JSVFileManager.urlTypeIndex(a)&& +this.$spec);b.setPeakList(this.myParams,this.precision,this.jsvp.getPanelData().getView());this.xyData=b;this.loadData()}catch(c){if(!z(c,Exception))throw c;}}});c(c$,"setPrecision",function(a){this.precision=this.formatOptions[a]},"~N");c(c$,"tableSelect",function(a){if("true".equals(this.getField(a,"adjusting")))this.iColSelected=this.iRowSelected=-1,System.out.println("adjusting"+a);else{var b=JU.PT.parseInt(this.getField(a,"index"));switch("ROW COL ROWCOL".indexOf(this.getField(a,"selector"))){case 8:this.iColSelected= +JU.PT.parseInt(this.getField(a,"index2"));case 0:this.iRowSelected=b;System.out.println("r set to "+b);break;case 4:this.iColSelected=b,System.out.println("c set to "+b)}0<=this.iColSelected&&0<=this.iRowSelected&&this.tableCellSelect(this.iRowSelected,this.iColSelected)}},"~S");c(c$,"getField",function(a,b){a+="&";var c="&"+b+"=",e=a.indexOf(c);return 0>e?null:a.substring(e+c.length,a.indexOf("&",e+1))},"~S,~S")});r("JSV.exception");s(["java.lang.Exception"],"JSV.exception.JSVException",null,function(){c$= +t(JSV.exception,"JSVException",Exception)});r("JSV.js2d");c$=t(JSV.js2d,"Display");c$.getFullScreenDimensions=c(c$,"getFullScreenDimensions",function(a,b){b[0]=a.width;b[1]=a.height},"~O,~A");c$.hasFocus=c(c$,"hasFocus",function(){return!0},"~O");c$.requestFocusInWindow=c(c$,"requestFocusInWindow",function(){},"~O");c$.repaint=c(c$,"repaint",function(){},"~O");c$.renderScreenImage=c(c$,"renderScreenImage",function(){},"J.api.PlatformViewer,~O,~O");c$.setTransparentCursor=c(c$,"setTransparentCursor", +function(){},"~O");c$.setCursor=c(c$,"setCursor",function(){},"~N,~O");c$.prompt=c(c$,"prompt",function(a,b){var c=prompt(a,b);return null!=c?c:"null"},"~S,~S,~A,~B");c$.convertPointFromScreen=c(c$,"convertPointFromScreen",function(){},"~O,JU.P3");r("JSV.js2d");c$=t(JSV.js2d,"Image");c$.getWidth=c(c$,"getWidth",function(a){return a.imageWidth?a.imageWidth:a.width},"~O");c$.getHeight=c(c$,"getHeight",function(a){return a.imageHeight?a.imageHeight:a.height},"~O");c$.grabPixels=c(c$,"grabPixels",function(a, +b,c){var e=null;if(a._buf32)return a._buf32;e=a.getImageData(0,0,b,c).data;return JSV.js2d.Image.toIntARGB(e)},"~O,~N,~N");c$.toIntARGB=c(c$,"toIntARGB",function(a){for(var b=v(a.length/4),c=E(b,0),e=0,f=0;e>2,e=0,f=0;e>16&255,b[f++]=a[e]>>8&255,b[f++]=a[e]&255,b[f++]=255},"~A,~A");c$.getTextPixels=c(c$,"getTextPixels",function(a,b,c,e,f,g){c.fillStyle= +"#000000";c.fillRect(0,0,e,f);c.fillStyle="#FFFFFF";c.font=b.font;c.fillText(a,0,g);return JSV.js2d.Image.grabPixels(c,e,f)},"~S,JU.Font,~O,~N,~N,~N");c$.allocateRgbImage=c(c$,"allocateRgbImage",function(a,b,c,e,f,g){null==g&&(g={width:a,height:b});g.buf32=c},"~N,~N,~A,~N,~B,~O");c$.getStaticGraphics=c(c$,"getStaticGraphics",function(a){return JSV.js2d.Image.getGraphics(a)},"~O,~B");c$.getGraphics=c(c$,"getGraphics",function(a){return a.getContext("2d")},"~O");c$.drawImage=c(c$,"drawImage",function(a, +b,c,e){this.fromIntARGB(b.buf32,b.buf8);a.putImageData(b.imgdata,c,e)},"~O,~O,~N,~N,~N,~N");r("JSV.js2d");s(["J.api.GenericFileInterface"],"JSV.js2d.JsFile",["JU.PT","JSV.common.JSVFileManager"],function(){c$=k(function(){this.fullName=this.name=null;n(this,arguments)},JSV.js2d,"JsFile",null,J.api.GenericFileInterface);c$.newFile=c(c$,"newFile",function(a){return new JSV.js2d.JsFile(a)},"~S");m(c$,function(a){this.name=a.$replace("\\","/");this.fullName=a;!this.fullName.startsWith("/")&&0>JSV.common.JSVFileManager.urlTypeIndex(a)&& (this.fullName=JSV.common.JSVFileManager.jsDocumentBase+"/"+this.fullName);this.fullName=JU.PT.rep(this.fullName,"/./","/");a.substring(a.lastIndexOf("/")+1)},"~S");e(c$,"getParentAsFile",function(){var a=this.fullName.lastIndexOf("/");return 0>a?null:new JSV.js2d.JsFile(this.fullName.substring(0,a))});e(c$,"getFullPath",function(){return this.fullName});e(c$,"getName",function(){return this.name});e(c$,"isDirectory",function(){return this.fullName.endsWith("/")});e(c$,"length",function(){return 0}); -c$.getURLContents=c(c$,"getURLContents",function(a,b,c){try{var e=a.openConnection();null!=b?e.outputBytes(b):null!=c&&e.outputString(c);return e.getContents()}catch(f){if(y(f,Exception))return f.toString();throw f;}},"java.net.URL,~A,~S")});s("JSV.js2d");t(["JSV.api.JSVFileHelper"],"JSV.js2d.JsFileHelper",["JU.PT","JSV.common.JSViewer","JSV.js2d.JsFile"],function(){c$=k(function(){this.vwr=null;m(this,arguments)},JSV.js2d,"JsFileHelper",null,JSV.api.JSVFileHelper);n(c$,function(){});e(c$,"set",function(a){this.vwr= +c$.getURLContents=c(c$,"getURLContents",function(a,b,c){try{var e=a.openConnection();null!=b?e.outputBytes(b):null!=c&&e.outputString(c);return e.getContents()}catch(f){if(z(f,Exception))return f.toString();throw 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-"";this.yLabel=this.xLabel=null;this.nH=0;this.observedNucl="";this.observedFreq=1.7976931348623157E308;this.parent=null;this.offset=1.7976931348623157E308;this.dataPointNum=this.shiftRefType=-1;this.numDim=1;this.nucleusX=null;this.nucleusY="?";this.y2D=this.freq2dY=this.freq2dX=NaN;this.y2DUnits="";this.$isHZtoPPM=!1;this.xIncreases=!0;this.continuous=!1;this.xyCoords=null;this.deltaX=this.maxY=this.maxX=this.minY=this.minX=NaN;this.normalizationFactor=1;m(this,arguments)},JSV.source,"JDXDataObject", -JSV.source.JDXHeader);c(c$,"setInlineData",function(a){this.inlineData=a},"~S");c(c$,"getInlineData",function(){return this.inlineData});c(c$,"setFilePath",function(a){null!=a&&(this.filePathForwardSlash=(this.filePath=a.trim()).$replace("\\","/"))},"~S");c(c$,"getFilePath",function(){return this.filePath});c(c$,"getFilePathForwardSlash",function(){return this.filePathForwardSlash});c(c$,"setBlockID",function(a){this.blockID=a},"~N");c(c$,"isImaginary",function(){return this.varName.contains("IMAG")}); -c(c$,"setXFactor",function(a){this.xFactor=a},"~N");c(c$,"getXFactor",function(){return this.xFactor});c(c$,"setYFactor",function(a){this.yFactor=a},"~N");c(c$,"getYFactor",function(){return this.yFactor});c(c$,"checkRequiredTokens",function(){var a=1.7976931348623157E308==this.fileFirstX?"##FIRSTX":1.7976931348623157E308==this.fileLastX?"##LASTX":-1==this.nPointsFile?"##NPOINTS":1.7976931348623157E308==this.xFactor?"##XFACTOR":1.7976931348623157E308==this.yFactor?"##YFACTOR":null;if(null!=a)throw new JSV.exception.JSVException("Error Reading Data Set: "+ -a+" not found");});c(c$,"setXUnits",function(a){this.xUnits=a},"~S");c(c$,"getXUnits",function(){return this.xUnits});c(c$,"setYUnits",function(a){a.equals("PPM")&&(a="ARBITRARY UNITS");this.yUnits=a},"~S");c(c$,"getYUnits",function(){return this.yUnits});c(c$,"setXLabel",function(a){this.xLabel=a},"~S");c(c$,"setYLabel",function(a){this.yLabel=a},"~S");c(c$,"setObservedNucleus",function(a){this.observedNucl=a;1==this.numDim&&(this.parent.nucleusX=this.nucleusX=this.fixNucleus(a))},"~S");c(c$,"setObservedFreq", -function(a){this.observedFreq=a},"~N");c(c$,"getObservedFreq",function(){return this.observedFreq});c(c$,"is1D",function(){return 1==this.numDim});c(c$,"setY2D",function(a){this.y2D=a},"~N");c(c$,"getY2D",function(){return this.y2D});c(c$,"setY2DUnits",function(a){this.y2DUnits=a},"~S");c(c$,"getY2DPPM",function(){var a=this.y2D;this.y2DUnits.equals("HZ")&&(a/=this.freq2dY);return a});c(c$,"setNucleusAndFreq",function(a,b){a=this.fixNucleus(a);b?this.nucleusX=a:this.nucleusY=a;var c;if(0<=this.observedNucl.indexOf(a))c= -this.observedFreq;else{c=JSV.source.JDXDataObject.getGyroMagneticRatio(this.observedNucl);var e=JSV.source.JDXDataObject.getGyroMagneticRatio(a);c=this.observedFreq*e/c}b?this.freq2dX=c:this.freq2dY=c;JU.Logger.info("Freq for "+a+" = "+c)},"~S,~B");c(c$,"fixNucleus",function(a){return JU.PT.rep(JU.PT.trim(a,"[]^<>"),"NUC_","")},"~S");c$.getGyroMagneticRatio=c(c$,"getGyroMagneticRatio",function(a){for(var b=0;b=b);a+=2);return JSV.source.JDXDataObject.gyroData[a]==b?JSV.source.JDXDataObject.gyroData[a+1]:NaN},"~S");c(c$,"isTransmittance",function(){var a=this.yUnits.toLowerCase();return a.equals("transmittance")||a.contains("trans")||a.equals("t")});c(c$,"isAbsorbance",function(){var a=this.yUnits.toLowerCase();return a.equals("absorbance")||a.contains("abs")||a.equals("a")});c(c$,"canSaveAsJDX",function(){return this.getDataClass().equals("XYDATA")}); -c(c$,"canIntegrate",function(){return this.continuous&&(this.isHNMR()||this.isGC())&&this.is1D()});c(c$,"isAutoOverlayFromJmolClick",function(){return this.isGC()});c(c$,"isGC",function(){return this.dataType.startsWith("GC")||this.dataType.startsWith("GAS")});c(c$,"isMS",function(){return this.dataType.startsWith("MASS")||this.dataType.startsWith("MS")});c(c$,"isStackable",function(){return!this.isMS()});c(c$,"isScalable",function(){return!0});c(c$,"getYRef",function(){return!this.isTransmittance()? -0:2>JSV.common.Coordinate.getMaxY(this.xyCoords,0,this.xyCoords.length-1)?1:100});c(c$,"isInverted",function(){return this.isTransmittance()});c(c$,"canConvertTransAbs",function(){return this.continuous&&this.yUnits.toLowerCase().contains("abs")||this.yUnits.toLowerCase().contains("trans")});c(c$,"canShowSolutionColor",function(){return this.isContinuous()&&this.canConvertTransAbs()&&(this.xUnits.toLowerCase().contains("nanometer")||this.xUnits.equalsIgnoreCase("nm"))&&401>this.getFirstX()&&699b?"":JU.DF.formatDecimalDbl(b,c)+e},"JSV.common.Measurement");c(c$,"isNMR",function(){return 0<=this.dataType.toUpperCase().indexOf("NMR")});c(c$,"isHNMR",function(){return this.isNMR()&&0<=this.observedNucl.toUpperCase().indexOf("H")});c(c$,"setXYCoords",function(a){this.xyCoords=a},"~A");c(c$,"invertYAxis",function(){for(var a=this.xyCoords.length;0<=--a;)this.xyCoords[a].setYVal(-this.xyCoords[a].getYVal());a=this.minY;this.minY=-this.maxY;this.maxY=-a;return this});c(c$,"getFirstX", -function(){return this.xyCoords[0].getXVal()});c(c$,"getFirstY",function(){return this.xyCoords[0].getYVal()});c(c$,"getLastX",function(){return this.xyCoords[this.xyCoords.length-1].getXVal()});c(c$,"getLastY",function(){return this.xyCoords[this.xyCoords.length-1].getYVal()});c(c$,"getMinX",function(){return Double.isNaN(this.minX)?this.minX=JSV.common.Coordinate.getMinX(this.xyCoords,0,this.xyCoords.length-1):this.minX});c(c$,"getMinY",function(){return Double.isNaN(this.minY)?this.minY=JSV.common.Coordinate.getMinY(this.xyCoords, -0,this.xyCoords.length-1):this.minY});c(c$,"getMaxX",function(){return Double.isNaN(this.maxX)?this.maxX=JSV.common.Coordinate.getMaxX(this.xyCoords,0,this.xyCoords.length-1):this.maxX});c(c$,"getMaxY",function(){return Double.isNaN(this.maxY)?this.maxY=JSV.common.Coordinate.getMaxY(this.xyCoords,0,this.xyCoords.length-1):this.maxY});c(c$,"doNormalize",function(a){this.isNMR()&&this.is1D()&&(this.normalizationFactor=a/this.getMaxY(),this.maxY=NaN,JSV.common.Coordinate.applyScale(this.xyCoords,1,this.normalizationFactor), -JU.Logger.info("Y values have been scaled by a factor of "+this.normalizationFactor))},"~N");c(c$,"getDeltaX",function(){return Double.isNaN(this.deltaX)?this.deltaX=JSV.common.Coordinate.deltaX(this.getLastX(),this.getFirstX(),this.xyCoords.length):this.deltaX});c(c$,"copyTo",function(a){a.setTitle(this.title);a.setJcampdx(this.jcampdx);a.setOrigin(this.origin);a.setOwner(this.owner);a.setDataClass(this.dataClass);a.setDataType(this.dataType);a.setHeaderTable(this.headerTable);a.setXFactor(this.xFactor); -a.setYFactor(this.yFactor);a.setXUnits(this.xUnits);a.setYUnits(this.yUnits);a.setXLabel(this.xLabel);a.setYLabel(this.yLabel);a.setXYCoords(this.xyCoords);a.setContinuous(this.continuous);a.setIncreasing(this.xIncreases);a.observedFreq=this.observedFreq;a.observedNucl=this.observedNucl;a.offset=this.offset;a.dataPointNum=this.dataPointNum;a.shiftRefType=this.shiftRefType;a.$isHZtoPPM=this.$isHZtoPPM;a.numDim=this.numDim;a.nucleusX=this.nucleusX;a.nucleusY=this.nucleusY;a.freq2dX=this.freq2dX;a.freq2dY= -this.freq2dY;a.setFilePath(this.filePath);a.nH=this.nH},"JSV.source.JDXDataObject");c(c$,"getTypeLabel",function(){return this.isNMR()?this.nucleusX+"NMR":this.dataType});c(c$,"getDefaultAnnotationInfo",function(a){var b,c=this.isNMR();switch(a){case JSV.common.Annotation.AType.Integration:return w(-1,[null,E(-1,[1]),null]);case JSV.common.Annotation.AType.Measurements:return a=c?w(-1,["Hz","ppm"]):w(-1,[""]),b=this.isHNMR()?E(-1,[1,4]):E(-1,[1,3]),w(-1,[a,b,Integer.$valueOf(0)]);case JSV.common.Annotation.AType.PeakList:return a= -c?w(-1,["Hz","ppm"]):w(-1,[""]),b=this.isHNMR()?E(-1,[1,2]):E(-1,[1,1]),w(-1,[a,b,Integer.$valueOf(c?1:0)])}return null},"JSV.common.Annotation.AType");c(c$,"getPeakListArray",function(a,b,c){var e=a.getXVal();a=a.getYVal();this.isNMR()&&(a/=c);c=Math.abs(e-b[0]);b[0]=e;var f=c+b[1];b[1]=c;var h=f+b[2];b[2]=f;return this.isNMR()?L(-1,[e,a,e*this.observedFreq,20this.maxY?this.maxY=b:b=b)&&this.ich++}return c*Double.$valueOf(this.line.substring(a,this.ich)).doubleValue()});c(c$,"next",function(){for(;this.ich"+-%@ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrs? ,\t\n".indexOf(this.line.charAt(this.ich));)this.ich++;return this.ich== -this.lineLen?"\x00":this.line.charAt(this.ich)});c(c$,"testAlgorithm",function(){});D(c$,"allDelim","+-%@ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrs? ,\t\n","WHITE_SPACE"," 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b=0;bn||0<=q&&qthis.lastSpec)return!(this.done=!0);a.setBlockID(this.blockID);this.source.addJDXSpectrum(null,a,b);return!0}, -"JSV.common.Spectrum,~B");c(c$,"getBlockSpectra",function(a){JU.Logger.debug("--JDX block start--");for(var b="",c=null,e=0==this.source.type,f=!1;null!=(b=this.t.getLabel())&&!b.equals("##TITLE");)c=this.getValue(b),e&&!JSV.source.JDXReader.readHeaderLabel(this.source,b,c,this.errorLog,this.obscure)&&JSV.source.JDXReader.addHeader(a,this.t.rawLabel,c),b.equals("##BLOCKS")&&100=this.firstSpec&&(f=!0);c=this.getValue(b);if(!"##TITLE".equals(b))throw new JSV.exception.JSVException("Unable to read block source"); -e&&this.source.setHeaderTable(a);this.source.type=1;this.source.isCompoundSource=!0;e=new JSV.common.Spectrum;a=new JU.Lst;this.readDataLabel(e,b,c,this.errorLog,this.obscure);try{for(var h;null!=(h=this.t.getLabel());){if(null==(c=this.getValue(h))&&"##END".equals(b)){JU.Logger.debug("##END= 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java.util.StringTokenizer(c,",");if(4!=b.countTokens())return!0;try{b.nextToken(),b.nextToken(), -a.dataPointNum=Integer.parseInt(b.nextToken().trim()),a.offset=Double.parseDouble(b.nextToken().trim())}catch(h){if(y(h,Exception))return!0;throw h;}0>=a.dataPointNum&&(a.dataPointNum=1);a.shiftRefType=0;return!0}}return!1},"JSV.source.JDXDataObject,~S,~S,JU.SB,~B");c$.readHeaderLabel=c(c$,"readHeaderLabel",function(a,b,c,e,f){switch("##TITLE#####JCAMPDX###ORIGIN####OWNER#####DATATYPE##LONGDATE##DATE######TIME####".indexOf(b+"#")){case 0:return a.setTitle(f||null==c||c.equals("")?"Unknown":c),!0; -case 10:return a.jcampdx=c,a=JU.PT.parseFloat(c),(6<=a||Float.isNaN(a))&&null!=e&&e.append("Warning: JCAMP-DX version may not be fully supported: "+c+"\n"),!0;case 20:return a.origin=null!=c&&!c.equals("")?c:"Unknown",!0;case 30:return a.owner=null!=c&&!c.equals("")?c:"Unknown",!0;case 40:return a.dataType=c,!0;case 50:return a.longDate=c,!0;case 60:return a.date=c,!0;case 70:return a.time=c,!0}return!1},"JSV.source.JDXHeader,~S,~S,JU.SB,~B");c(c$,"setTabularDataType",function(a,b){b.equals("##PEAKASSIGNMENTS")? -a.setDataClass("PEAKASSIGNMENTS"):b.equals("##PEAKTABLE")?a.setDataClass("PEAKTABLE"):b.equals("##XYDATA")?a.setDataClass("XYDATA"):b.equals("##XYPOINTS")&&a.setDataClass("XYPOINTS")},"JSV.source.JDXDataObject,~S");c(c$,"processTabularData",function(a,b){a.setHeaderTable(b);if(a.dataClass.equals("XYDATA"))return a.checkRequiredTokens(),this.decompressData(a,null),!0;if(a.dataClass.equals("PEAKTABLE")||a.dataClass.equals("XYPOINTS")){a.setContinuous(a.dataClass.equals("XYPOINTS"));try{this.t.readLineTrimmed()}catch(c){if(!y(c, -java.io.IOException))throw c;}var e;e=1.7976931348623157E308!=a.xFactor&&1.7976931348623157E308!=a.yFactor?JSV.common.Coordinate.parseDSV(this.t.getValue(),a.xFactor,a.yFactor):JSV.common.Coordinate.parseDSV(this.t.getValue(),1,1);a.setXYCoords(e);e=JSV.common.Coordinate.deltaX(e[e.length-1].getXVal(),e[0].getXVal(),e.length);a.setIncreasing(0b[1]&& -(b[1]=k));f=Double.isNaN(a.freq2dX)?a.observedFreq:a.freq2dX;1.7976931348623157E308!=a.offset&&(1.7976931348623157E308!=f&&a.dataType.toUpperCase().contains("SPECTRUM"))&&JSV.common.Coordinate.applyShiftReference(j,a.dataPointNum,a.fileFirstX,a.fileLastX,a.offset,f,a.shiftRefType);1.7976931348623157E308!=f&&a.getXUnits().toUpperCase().equals("HZ")&&(JSV.common.Coordinate.applyScale(j,1/f,1),a.setXUnits("PPM"),a.setHZtoPPM(!0));this.errorLog.length()!=c&&(this.errorLog.append(a.getTitle()).append("\n"), -this.errorLog.append("firstX: "+a.fileFirstX+" Found "+h[0]+"\n"),this.errorLog.append("lastX from Header "+a.fileLastX+" Found "+h[1]+"\n"),this.errorLog.append("deltaX 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null==this.mpr?this.mpr=JSV.common.JSViewer.getInterface("J.jsv.JDXMOLParser"): -this.mpr});e(c$,"rd",function(){return this.reader.readLine()});e(c$,"setSpectrumPeaks",function(a,b,c){this.modelSpectrum.setPeakList(this.peakData,b,c);this.modelSpectrum.isNMR()&&this.modelSpectrum.setNHydrogens(a)},"~N,~S,~S");e(c$,"addPeakData",function(a){null==this.peakData&&(this.peakData=new JU.Lst);this.peakData.addLast(new JSV.common.PeakInfo(a))},"~S");e(c$,"processModelData",function(){},"~S,~S,~S,~S,~S,~N,~N,~B");e(c$,"discardLinesUntilContains",function(a){for(var b;null!=(b=this.rd())&& -0>b.indexOf(a););return b},"~S");e(c$,"discardLinesUntilContains2",function(a,b){for(var c;null!=(c=this.rd())&&0>c.indexOf(a)&&0>c.indexOf(b););return c},"~S,~S");e(c$,"discardLinesUntilNonBlank",function(){for(var a;null!=(a=this.rd())&&0==a.trim().length;);return a});D(c$,"VAR_LIST_TABLE",w(-1,["PEAKTABLE XYDATA XYPOINTS"," (XY..XY) (X++(Y..Y)) (XY..XY) "]),"ERROR_SEPARATOR","=====================\n")});s("JSV.source");t(["JSV.source.JDXHeader"],"JSV.source.JDXSource",["JU.Lst"],function(){c$= -k(function(){this.type=0;this.isCompoundSource=!1;this.jdxSpectra=null;this.errors="";this.filePath=null;this.peakCount=0;this.isView=!1;this.inlineData=null;m(this,arguments)},JSV.source,"JDXSource",JSV.source.JDXHeader);c(c$,"dispose",function(){this.jdxSpectra=this.headerTable=null});n(c$,function(a,b){z(this,JSV.source.JDXSource,[]);this.type=a;this.setFilePath(b);this.headerTable=new JU.Lst;this.jdxSpectra=new JU.Lst;this.isCompoundSource=0!=a},"~N,~S");c(c$,"getJDXSpectrum",function(a){return this.jdxSpectra.size()<= 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this.isContinuous()&&this.canConvertTransAbs()&&(this.xUnits.toLowerCase().contains("nanometer")||this.xUnits.equalsIgnoreCase("nm"))&&401>this.getFirstX()&&699b?"":JU.DF.formatDecimalDbl(b,c)+e},"JSV.common.Measurement");c(c$,"isNMR",function(){return 0<=this.dataType.toUpperCase().indexOf("NMR")});c(c$,"isHNMR",function(){return this.isNMR()&&0<=this.observedNucl.toUpperCase().indexOf("H")}); +c(c$,"setXYCoords",function(a){this.xyCoords=a},"~A");c(c$,"invertYAxis",function(){for(var a=this.xyCoords.length;0<=--a;)this.xyCoords[a].setYVal(-this.xyCoords[a].getYVal());a=this.minY;this.minY=-this.maxY;this.maxY=-a;return this});c(c$,"getFirstX",function(){return this.xyCoords[0].getXVal()});c(c$,"getFirstY",function(){return this.xyCoords[0].getYVal()});c(c$,"getLastX",function(){return this.xyCoords[this.xyCoords.length-1].getXVal()});c(c$,"getLastY",function(){return this.xyCoords[this.xyCoords.length- +1].getYVal()});c(c$,"getMinX",function(){return Double.isNaN(this.minX)?this.minX=JSV.common.Coordinate.getMinX(this.xyCoords,0,this.xyCoords.length-1):this.minX});c(c$,"getMinY",function(){return Double.isNaN(this.minY)?this.minY=JSV.common.Coordinate.getMinY(this.xyCoords,0,this.xyCoords.length-1):this.minY});c(c$,"getMaxX",function(){return Double.isNaN(this.maxX)?this.maxX=JSV.common.Coordinate.getMaxX(this.xyCoords,0,this.xyCoords.length-1):this.maxX});c(c$,"getMaxY",function(){return Double.isNaN(this.maxY)? +this.maxY=JSV.common.Coordinate.getMaxY(this.xyCoords,0,this.xyCoords.length-1):this.maxY});c(c$,"normalizeSimulation",function(a){this.isNMR()&&this.is1D()&&(a/=this.getMaxY(),this.maxY=NaN,JSV.common.Coordinate.applyScale(this.xyCoords,1,a),JU.Logger.info("Y values have been scaled by a factor of "+a))},"~N");c(c$,"getDeltaX",function(){return Double.isNaN(this.deltaX)?this.deltaX=JSV.common.Coordinate.deltaX(this.getLastX(),this.getFirstX(),this.xyCoords.length):this.deltaX});c(c$,"copyTo",function(a){a.setTitle(this.title); +a.setJcampdx(this.jcampdx);a.setOrigin(this.origin);a.setOwner(this.owner);a.setDataClass(this.dataClass);a.setDataType(this.dataType);a.setHeaderTable(this.headerTable);a.setXFactor(this.xFactor);a.setYFactor(this.yFactor);a.setXUnits(this.xUnits);a.setYUnits(this.yUnits);a.setXLabel(this.xLabel);a.setYLabel(this.yLabel);a.setXYCoords(this.xyCoords);a.setContinuous(this.continuous);a.setIncreasing(this.xIncreases);a.observedFreq=this.observedFreq;a.observedNucl=this.observedNucl;a.fileShiftRef=this.fileShiftRef; 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e=a.getXVal();a=a.getYVal();this.isNMR()&&(a/=c);c=Math.abs(e-b[0]);b[0]= +e;var k=c+b[1];b[1]=c;var j=k+b[2];b[2]=k;return this.isNMR()?O(-1,[e,a,e*this.observedFreq,20this.jcampdx.indexOf("JEOL"))&&this.applyShiftReference(b?a:1,this.fileShiftRef);this.fileFirstX>this.fileLastX&&JSV.common.Coordinate.reverse(this.xyCoords);b&&(JSV.common.Coordinate.applyScale(this.xyCoords,1/a,1),this.setXUnits("PPM"),this.setHZtoPPM(!0))});c(c$,"setShiftReference",function(a,b,c){this.fileShiftRef=a;this.fileShiftRefDataPt=0this.xyCoords.length||0>this.fileShiftRefDataPt)){var c;switch(this.fileShiftRefType){case 0:b=this.xyCoords[this.fileShiftRefDataPt-1].getXVal()-b*a;break;case 1:b=this.fileFirstX-b*a;break;case 2:b=this.fileLastX+b}for(var e=0;e>"+this.line+"<<\n x, xcheck "+g+" "+g/this.xFactor+" "+r/this.xFactor+" "+a/this.xFactor);var s=l*this.yFactor,t=(new JSV.common.Coordinate).set(g,s);if(0== +j||!q)this.addPoint(t,j++);else 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this.dupCount=this.readNextInteger("s"==c?9:c.charCodeAt(0)-82)-1,this.getDuplicate(a);case 3:a=this.readNextSqueezedNumber(c);break;case 4:this.ich--;a=this.readSignedFloat();break;case -1:a=1.7976931348623157E308;break;default:a=NaN}this.isDIF=!1;return a},"~N");c(c$,"skipUnknown",function(){for(var a="\x00";this.ich=c)&&this.ich++}return e*Double.parseDouble(this.line.substring(a,this.ich))});c(c$,"getDuplicate",function(a){this.dupCount--; +return this.isDIF?a+this.lastDif:a},"~N");c(c$,"readNextInteger",function(a){for(var c=String.fromCharCode(0);this.ich=c;)a=10*a+(0>a?48-c.charCodeAt(0):c.charCodeAt(0)-48),this.ich++;return a},"~N");c(c$,"readNextSqueezedNumber",function(a){var c=this.ich;this.scanToNonnumeric();return Double.parseDouble((96=a);)this.ich++;return this.ich=a;a++)switch(String.fromCharCode(a)){case "%":case "J":case "K":case "L":case "M":case "N":case "O":case "P":case "Q":case "R":case "j":case "k":case "l":case "m":case "n":case "o":case "p":case "q":case 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this.isTabularData=0<="##DATATABLE##PEAKTABLE##XYDATA##XYPOINTS#".indexOf(a+"#")},"~S");c(c$,"addSpectrum",function(a,b){if(!this.loadImaginary&&a.isImaginary())return JU.Logger.info("FileReader skipping imaginary spectrum -- use LOADIMAGINARY TRUE to load this spectrum."),!0;if(null!=this.acdAssignments){if(!a.dataType.equals("MASS SPECTRUM")&&!a.isContinuous())return JU.Logger.info("Skipping ACD Labs line spectrum for "+ +a),!0;if(0this.lastSpec)return!(this.done=!0);a.setBlockID(this.blockID);this.source.addJDXSpectrum(null,a,b);return!0},"JSV.common.Spectrum,~B");c(c$,"getBlockSpectra",function(a){JU.Logger.debug("--JDX block start--");for(var b="",c=null,e=0==this.source.type,f=!1;null!=(b=this.t.getLabel())&&!b.equals("##TITLE");)c=this.getValue(b),e&&!JSV.source.JDXReader.readHeaderLabel(this.source,b,c,this.errorLog,this.obscure)&&JSV.source.JDXReader.addHeader(a, 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+b.length)return!0;if(b.equals("##.OBSERVEFREQUENCY "))return a.setObservedFreq(this.parseAFFN(b,c)),!1;if(b.equals("##.OBSERVENUCLEUS "))return a.setObservedNucleus(c),!1;if(b.equals("##$REFERENCEPOINT ")&&!a.isShiftTypeSpecified()){var g=c.indexOf(" ");0a.fileFirstX);a.setContinuous(!0);var e=new JSV.source.JDXDecompressor(this.t,a.fileFirstX,a.fileLastX,a.xFactor,a.yFactor,a.fileNPoints),f=System.currentTimeMillis(),g=e.decompressData(this.errorLog);JU.Logger.debugging&&JU.Logger.debug("decompression time = "+(System.currentTimeMillis()-f)+" ms");a.setXYCoords(g);f=e.getMinY();null!= +b&&(fb[1]&&(b[1]=f));a.finalizeCoordinates();this.errorLog.length()!=c&&(c=JSV.common.Coordinate.deltaX(a.fileLastX,a.fileFirstX,a.fileNPoints),this.logError(a.getTitle()),this.logError("firstX from Header "+a.fileFirstX),this.logError("lastX from Header "+a.fileLastX+" Found "+e.lastX),this.logError("deltaX from Header "+c),this.logError("Number of points in Header "+a.fileNPoints+" Found "+e.getNPointsFound()));JU.Logger.debugging&&System.err.println(this.errorLog.toString())}, +"JSV.source.JDXDataObject,~A");c$.addHeader=c(c$,"addHeader",function(a,b,c){for(var e=null,f=0;fb)return!1;this.getMpr().set(this,this.filePath, +null);try{switch(this.reader=new java.io.BufferedReader(new java.io.StringReader(c)),b){case 0:this.mpr.readModels();break;case 10:case 20:this.peakData=new JU.Lst;this.source.peakCount+=this.mpr.readPeaks(20==b,this.source.peakCount);break;case 30:this.acdAssignments=new JU.Lst;this.acdMolFile=JU.PT.rep(c,"$$ Empty String","");break;case 40:case 50:case 60:this.acdAssignments=this.mpr.readACDAssignments(a.fileNPoints,40==b);break}}catch(e){if(z(e,Exception))throw new JSV.exception.JSVException(e.getMessage()); +throw e;}finally{this.reader=null}return!0},"JSV.common.Spectrum,~S,~S");c(c$,"getMpr",function(){return null==this.mpr?this.mpr=JSV.common.JSViewer.getInterface("J.jsv.JDXMOLParser"):this.mpr});e(c$,"rd",function(){return 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+"ERROR_SEPARATOR","=====================\n")});r("JSV.source");s(["JSV.source.JDXHeader"],"JSV.source.JDXSource",["JU.Lst"],function(){c$=k(function(){this.type=0;this.isCompoundSource=!1;this.jdxSpectra=null;this.errors="";this.filePath=null;this.peakCount=0;this.isView=!1;this.inlineData=null;n(this,arguments)},JSV.source,"JDXSource",JSV.source.JDXHeader);c(c$,"dispose",function(){this.jdxSpectra=this.headerTable=null});m(c$,function(a,b){y(this,JSV.source.JDXSource,[]);this.type=a;this.setFilePath(b); +this.headerTable=new JU.Lst;this.jdxSpectra=new JU.Lst;this.isCompoundSource=0!=a},"~N,~S");c(c$,"getJDXSpectrum",function(a){return this.jdxSpectra.size()<=a?null:this.jdxSpectra.get(a)},"~N");c(c$,"addJDXSpectrum",function(a,b,c){null==a&&(a=this.filePath);b.setFilePath(a);null!=this.inlineData&&b.setInlineData(this.inlineData);a=this.jdxSpectra.size();(0==a||!this.jdxSpectra.get(a-1).addSubSpectrum(b,c))&&this.jdxSpectra.addLast(b)},"~S,JSV.common.Spectrum,~B");c(c$,"getNumberOfSpectra",function(){return this.jdxSpectra.size()}); +c(c$,"getSpectra",function(){return this.jdxSpectra});c(c$,"getSpectraAsArray",function(){return null==this.jdxSpectra?null:this.jdxSpectra.toArray()});c(c$,"getErrorLog",function(){return this.errors});c(c$,"setErrorLog",function(a){this.errors=a},"~S");c(c$,"setFilePath",function(a){this.filePath=a},"~S");c(c$,"getFilePath",function(){return this.filePath});c$.createView=c(c$,"createView",function(a){var b=new JSV.source.JDXSource(-2,"view");b.isView=!0;for(var c=0;cc?(a&&JU.Logger.info("BAD JDX LINE -- no '=' (line "+ +this.lineNo+"): "+this.line),this.rawLabel=this.line,a||(this.line="")):(this.rawLabel=this.line.substring(0,c).trim(),a&&(this.line=this.line.substring(c+1)));this.labelLineNo=this.lineNo;JU.Logger.debugging&&JU.Logger.info(this.rawLabel);return JSV.source.JDXSourceStreamTokenizer.cleanLabel(this.rawLabel)},"~B");c$.cleanLabel=c(c$,"cleanLabel",function(a){if(null==a)return null;var b,c=new JU.SB;for(b=0;bthis.line.indexOf("$$"))return this.line.trim();var a=(new JU.SB).append(this.line);return JSV.source.JDXSourceStreamTokenizer.trimLines(a)});c(c$,"flushLine",function(){var a=(new JU.SB).append(this.line);this.line=null;return JSV.source.JDXSourceStreamTokenizer.trimLines(a)});c(c$,"readLine",function(){this.line=this.br.readLine();this.lineNo++;return this.line});c$.trimLines=c(c$,"trimLines", +function(a){var b=a.length(),c=b-1,e=JSV.source.JDXSourceStreamTokenizer.ptNonWhite(a,0,b);if(e>=b)return"";for(var f=X(b-e,"\x00"),g=0;e"\n\r".indexOf(a.charAt(e)););continue}}"\n"==k&&0c&&0>(c=d.getCurrentSpectrumIndex()))return"Error exporting spectrum: No spectrum selected";f=d.getSpectrumAt(c);var h=d.getStartingPointIndex(c);c=d.getEndingPointIndex(c);var q=null;try{var k=e.isBase64(), -q=this.exportTheSpectrum(a,b,e,f,h,c,d,k);if(k)return q;if(q.startsWith("OK"))return"OK - Exported "+b.name()+": "+e.getFileName()+q.substring(2)}catch(g){if(w(g,Exception))q=g.toString();else throw g;}return"Error exporting "+e.getFileName()+": "+q},"JSV.common.JSViewer,JSV.common.ExportType,~N,JU.OC");d(c$,"exportTheSpectrum",function(a,b,c,e,f,d,h,q){h=a.selectedPanel;var k=b.name();switch(b){case JSV.common.ExportType.DIF:case JSV.common.ExportType.DIFDUP:case JSV.common.ExportType.FIX:case JSV.common.ExportType.PAC:case JSV.common.ExportType.SQZ:case JSV.common.ExportType.XY:k= +d),q,!0);if(null==l)return null;h=a.getOutputChannel(l.getFullPath(),!1);var n=this.exportSpectrumOrImage(a,d,g,h);n.startsWith("OK")&&a.si.siUpdateRecentMenus(l.getFullPath());h.closeChannel();return n}case 2:e=b.get(0).toUpperCase(),f=JU.PT.trimQuotes(b.get(1))}var m=f.substring(f.lastIndexOf(".")+1).toUpperCase();m.equals("BASE64")?f=";base64,":m.equals("JDX")?null==e&&(e="XY"):JSV.common.ExportType.isExportMode(m)?e=m:JSV.common.ExportType.isExportMode(e)&&(f+="."+e);d=JSV.common.ExportType.getType(e); +c&&d===JSV.common.ExportType.SVG&&(d=JSV.common.ExportType.SVGI);h=a.getOutputChannel(f,!1);return this.exportSpectrumOrImage(a,d,-1,h)}catch(p){if(w(p,Exception))return System.out.println(p),null;throw p;}},"JSV.common.JSViewer,JU.Lst,~B");d(c$,"exportSpectrumOrImage",function(a,b,c,e){var f,d=a.pd();if(0>c&&0>(c=d.getCurrentSpectrumIndex()))return"Error exporting spectrum: No spectrum selected";f=d.getSpectrumAt(c);var h=d.getStartingPointIndex(c);c=d.getEndingPointIndex(c);var q=null;try{var k= +e.isBase64(),q=this.exportTheSpectrum(a,b,e,f,h,c,d,k);if(k)return q;if(q.startsWith("OK"))return"OK - Exported "+b.name()+": "+e.getFileName()+q.substring(2)}catch(g){if(w(g,Exception))q=g.toString();else throw g;}return"Error exporting "+e.getFileName()+": "+q},"JSV.common.JSViewer,JSV.common.ExportType,~N,JU.OC");d(c$,"exportTheSpectrum",function(a,b,c,e,f,d,h,q){h=a.selectedPanel;var k=b.name();switch(b){case JSV.common.ExportType.DIF:case JSV.common.ExportType.DIFDUP:case JSV.common.ExportType.FIX:case JSV.common.ExportType.PAC:case JSV.common.ExportType.SQZ:case JSV.common.ExportType.XY:k= "JDX";break;case JSV.common.ExportType.JPG:case JSV.common.ExportType.PNG:if(null==h)return null;a.fileHelper.setFileChooser(b);b=this.getSuggestedFileName(a,b);a=a.fileHelper.getFile(b,h,!0);return null==a?null:h.saveImage(k.toLowerCase(),a,c);case JSV.common.ExportType.PDF:return this.printPDF(a,"PDF",q);case JSV.common.ExportType.SOURCE:if(null==h)return null;a=h.getPanelData().getSpectrum().getInlineData();if(null!=a)return c.append(a),c.closeChannel(),"OK "+c.getByteCount()+" bytes";h=h.getPanelData().getSpectrum().getFilePath(); return JSV["export"].Exporter.fileCopy(h,c);case JSV.common.ExportType.UNK:return null}return JSV.common.JSViewer.getInterface("JSV.export."+k.toUpperCase()+"Exporter").exportTheSpectrum(a,b,c,e,f,d,null,!1)},"JSV.common.JSViewer,JSV.common.ExportType,JU.OC,JSV.common.Spectrum,~N,~N,JSV.common.PanelData,~B");d(c$,"printPDF",function(a,b,c){var e=null==b||0==b.length;if(!c&&!a.si.isSigned())return"Error: Applet must be signed for the PRINT command.";var f=a.pd();if(null==f)return null;var d=!1,h,d= !1;h=a.getDialogPrint(e);if(null==h)return null;d||(h.asPDF=!0);e&&h.asPDF&&(e=!1,b="PDF");d=a.selectedPanel;if(!c&&!e){var q=a.fileHelper;q.setFileChooser(JSV.common.ExportType.PDF);if(b.equals("?")||b.equalsIgnoreCase("PDF"))b=this.getSuggestedFileName(a,JSV.common.ExportType.PDF);b=q.getFile(b,d,!0);if(null==b)return null;JSV.common.JSViewer.isJS||a.setProperty("directoryLastExportedFile",q.setDirLastExported(b.getParentAsFile().getFullPath()));b=b.getFullPath()}q=null;try{var k=e?null:c?(new JU.OC).setParams(null, diff --git a/qmpy/web/static/js/jsmol/j2s/core/corejsvmenu.js b/qmpy/web/static/js/jsmol/j2s/core/corejsvmenu.js index fb200801..1a866101 100644 --- a/qmpy/web/static/js/jsmol/j2s/core/corejsvmenu.js +++ b/qmpy/web/static/js/jsmol/j2s/core/corejsvmenu.js @@ -547,8 +547,8 @@ function (title) { return this.getStuctureAsText (title, JSV.popup.JSVPopupResourceBundle.menuContents, JSV.popup.JSVPopupResourceBundle.structureContents); }, "~S"); Clazz_defineStatics (c$, -"menuContents", Clazz_newArray (-1, [ Clazz_newArray (-1, ["appMenu", "_SIGNED_FileMenu Spectra... ShowMenu OptionsMenu ZoomMenu - Integration Peaks Measurements - Script... Properties"]), Clazz_newArray (-1, ["appletMenu", "_SIGNED_FileMenu Spectra... - OptionsMenu ZoomMenu - Integration Peaks Measurements - Script... - Print... - AboutMenu"]), Clazz_newArray (-1, ["_SIGNED_FileMenu", "Open_File... Open_Simulation... Open_URL... - Add_File... Add_Simulation... Add_URL... - Save_AsMenu Export_AsMenu - Close_Views Close_Simulations Close_All"]), Clazz_newArray (-1, ["Save_AsMenu", "Original... JDXMenu CML XML(AnIML)"]), Clazz_newArray (-1, ["JDXMenu", "XY DIF DIFDUP FIX PAC SQZ"]), Clazz_newArray (-1, ["Export_AsMenu", "PDF - JAVAJPG PNG"]), Clazz_newArray (-1, ["ShowMenu", "Show_Header Show_Source Show_Overlay_Key"]), Clazz_newArray (-1, ["OptionsMenu", "Toggle_Grid Toggle_X_Axis Toggle_Y_Axis Toggle_Coordinates Toggle_Trans/Abs Reverse_Plot Points_Only - Predicted_Solution_Colour Fill_Solution_Colour_(all) Fill_Solution_Colour_(none)"]), Clazz_newArray (-1, ["ZoomMenu", "Next_Zoom Previous_Zoom Reset_Zoom - Set_X_Scale... Reset_X_Scale"]), Clazz_newArray (-1, ["AboutMenu", "VERSION"])]), -"structureContents", Clazz_newArray (-1, [ Clazz_newArray (-1, ["Open_File...", "load ?"]), Clazz_newArray (-1, ["Open_URL...", "load http://?"]), Clazz_newArray (-1, ["Open_Simulation...", "load $?"]), Clazz_newArray (-1, ["Add_File...", "load append ?"]), Clazz_newArray (-1, ["Add_URL...", "load append http://?"]), Clazz_newArray (-1, ["Add_Simulation...", "load append $?; view \"1HNMR\""]), Clazz_newArray (-1, ["Close_All", "close all"]), Clazz_newArray (-1, ["Close_Views", "close views"]), Clazz_newArray (-1, ["Close Simulations", "close simulations"]), Clazz_newArray (-1, ["Show_Header", "showProperties"]), Clazz_newArray (-1, ["Show_Source", "showSource"]), Clazz_newArray (-1, ["Show_Overlay_Key...", "showKey"]), Clazz_newArray (-1, ["Next_Zoom", "zoom next;showMenu"]), Clazz_newArray (-1, ["Previous_Zoom", "zoom prev;showMenu"]), Clazz_newArray (-1, ["Reset_Zoom", "zoom clear"]), Clazz_newArray (-1, ["Reset_X_Scale", "zoom out"]), Clazz_newArray (-1, ["Set_X_Scale...", "zoom"]), Clazz_newArray (-1, ["Spectra...", "view"]), Clazz_newArray (-1, ["Overlay_Offset...", "stackOffsetY"]), Clazz_newArray (-1, ["Script...", "script INLINE"]), Clazz_newArray (-1, ["Properties", "showProperties"]), Clazz_newArray (-1, ["Toggle_X_Axis", "XSCALEON toggle;showMenu"]), Clazz_newArray (-1, ["Toggle_Y_Axis", "YSCALEON toggle;showMenu"]), Clazz_newArray (-1, ["Toggle_Grid", "GRIDON toggle;showMenu"]), Clazz_newArray (-1, ["Toggle_Coordinates", "COORDINATESON toggle;showMenu"]), Clazz_newArray (-1, ["Reverse_Plot", "REVERSEPLOT toggle;showMenu"]), Clazz_newArray (-1, ["Points_Only", "POINTSONLY toggle;showMenu"]), Clazz_newArray (-1, ["Measurements", "SHOWMEASUREMENTS"]), Clazz_newArray (-1, ["Peaks", "SHOWPEAKLIST"]), Clazz_newArray (-1, ["Integration", "SHOWINTEGRATION"]), Clazz_newArray (-1, ["Toggle_Trans/Abs", "IRMODE TOGGLE"]), Clazz_newArray (-1, ["Predicted_Solution_Colour", "GETSOLUTIONCOLOR"]), Clazz_newArray (-1, ["Fill_Solution_Colour_(all)", "GETSOLUTIONCOLOR fillall"]), Clazz_newArray (-1, ["Fill_Solution_Colour_(none)", "GETSOLUTIONCOLOR fillallnone"]), Clazz_newArray (-1, ["Print...", "print"]), Clazz_newArray (-1, ["Original...", "write SOURCE"]), Clazz_newArray (-1, ["CML", "write CML"]), Clazz_newArray (-1, ["XML(AnIML)", "write XML"]), Clazz_newArray (-1, ["XY", "write XY"]), Clazz_newArray (-1, ["DIF", "write DIF"]), Clazz_newArray (-1, ["DIFDUP", "write DIFDUP"]), Clazz_newArray (-1, ["FIX", "write FIX"]), Clazz_newArray (-1, ["PAC", "write PAC"]), Clazz_newArray (-1, ["SQZ", "write SQZ"]), Clazz_newArray (-1, ["JPG", "write JPG"]), Clazz_newArray (-1, ["SVG", "write SVG"]), Clazz_newArray (-1, ["PNG", "write PNG"]), Clazz_newArray (-1, ["PDF", "write PDF"])])); +"menuContents", Clazz_newArray (-1, [ Clazz_newArray (-1, ["appMenu", "_SIGNED_FileMenu Spectra... ShowMenu OptionsMenu ZoomMenu - Integration Peaks Measurements - Script... Properties"]), Clazz_newArray (-1, ["appletMenu", "_SIGNED_FileMenu Spectra... - OptionsMenu ZoomMenu - Integration Peaks Measurements - Script... - Print... - AboutMenu"]), Clazz_newArray (-1, ["_SIGNED_FileMenu", "Open_File... Open_Simulation... Open_URL... - Add_File... Add_Simulation... Add_URL... - Save_AsMenu Export_AsMenu - Close_Views Close_Simulations Close_All"]), Clazz_newArray (-1, ["Save_AsMenu", "Original... JDXMenu CML XML(AnIML)"]), Clazz_newArray (-1, ["JDXMenu", "XY DIF DIFDUP FIX PAC SQZ"]), Clazz_newArray (-1, ["Export_AsMenu", "PDF - JPG PNG SVG"]), Clazz_newArray (-1, ["ShowMenu", "Show_Header Show_Source Show_Overlay_Key"]), Clazz_newArray (-1, ["OptionsMenu", "Toggle_Grid Toggle_X_Axis Toggle_Y_Axis Toggle_Coordinates Toggle_Trans/Abs Reverse_Plot - Predicted_Solution_Colour Fill_Solution_Colour_(all) Fill_Solution_Colour_(none)"]), Clazz_newArray (-1, ["ZoomMenu", "Next_Zoom Previous_Zoom Reset_Zoom - Set_X_Scale... Reset_X_Scale"]), Clazz_newArray (-1, ["AboutMenu", "VERSION"])]), +"structureContents", Clazz_newArray (-1, [ Clazz_newArray (-1, ["Open_File...", "load ?"]), Clazz_newArray (-1, ["Open_URL...", "load http://?"]), Clazz_newArray (-1, ["Open_Simulation...", "load $?"]), Clazz_newArray (-1, ["Add_File...", "load append ?"]), Clazz_newArray (-1, ["Add_URL...", "load append http://?"]), Clazz_newArray (-1, ["Add_Simulation...", "load append $?; view \"1HNMR\""]), Clazz_newArray (-1, ["Close_All", "close all"]), Clazz_newArray (-1, ["Close_Views", "close views"]), Clazz_newArray (-1, ["Close Simulations", "close simulations"]), Clazz_newArray (-1, ["Show_Header", "showProperties"]), Clazz_newArray (-1, ["Show_Source", "showSource"]), Clazz_newArray (-1, ["Show_Overlay_Key...", "showKey"]), Clazz_newArray (-1, ["Next_Zoom", "zoom next;showMenu"]), Clazz_newArray (-1, ["Previous_Zoom", "zoom prev;showMenu"]), Clazz_newArray (-1, ["Reset_Zoom", "zoom clear"]), Clazz_newArray (-1, ["Reset_X_Scale", "zoom out"]), Clazz_newArray (-1, ["Set_X_Scale...", "zoom"]), Clazz_newArray (-1, ["Spectra...", "view"]), Clazz_newArray (-1, ["Overlay_Offset...", "stackOffsetY"]), Clazz_newArray (-1, ["Script...", "script INLINE"]), Clazz_newArray (-1, ["Properties", "showProperties"]), Clazz_newArray (-1, ["Toggle_X_Axis", "XSCALEON toggle;showMenu"]), Clazz_newArray (-1, ["Toggle_Y_Axis", "YSCALEON toggle;showMenu"]), Clazz_newArray (-1, ["Toggle_Grid", "GRIDON toggle;showMenu"]), Clazz_newArray (-1, ["Toggle_Coordinates", "COORDINATESON toggle;showMenu"]), Clazz_newArray (-1, ["Reverse_Plot", "REVERSEPLOT toggle;showMenu"]), Clazz_newArray (-1, ["Measurements", "SHOWMEASUREMENTS"]), Clazz_newArray (-1, ["Peaks", "SHOWPEAKLIST"]), Clazz_newArray (-1, ["Integration", "SHOWINTEGRATION"]), Clazz_newArray (-1, ["Toggle_Trans/Abs", "IRMODE TOGGLE"]), Clazz_newArray (-1, ["Predicted_Solution_Colour", "GETSOLUTIONCOLOR"]), Clazz_newArray (-1, ["Fill_Solution_Colour_(all)", "GETSOLUTIONCOLOR fillall"]), Clazz_newArray (-1, ["Fill_Solution_Colour_(none)", "GETSOLUTIONCOLOR fillallnone"]), Clazz_newArray (-1, ["Print...", "print"]), Clazz_newArray (-1, ["Original...", "write SOURCE"]), Clazz_newArray (-1, ["CML", "write CML"]), Clazz_newArray (-1, ["XML(AnIML)", "write XML"]), Clazz_newArray (-1, ["XY", "write XY"]), Clazz_newArray (-1, ["DIF", "write DIF"]), Clazz_newArray (-1, ["DIFDUP", "write DIFDUP"]), Clazz_newArray (-1, ["FIX", "write FIX"]), Clazz_newArray (-1, ["PAC", "write PAC"]), Clazz_newArray (-1, ["SQZ", "write SQZ"]), Clazz_newArray (-1, ["JPG", "write JPG"]), Clazz_newArray (-1, ["SVG", "write SVG"]), Clazz_newArray (-1, ["PNG", "write PNG"]), Clazz_newArray (-1, ["PDF", "write PDF"])])); }); })(Clazz ,Clazz.getClassName diff --git a/qmpy/web/static/js/jsmol/j2s/core/corejsvmenu.z.js b/qmpy/web/static/js/jsmol/j2s/core/corejsvmenu.z.js index 7a09301c..e8f19dc6 100644 --- a/qmpy/web/static/js/jsmol/j2s/core/corejsvmenu.z.js +++ b/qmpy/web/static/js/jsmol/j2s/core/corejsvmenu.z.js @@ -75,11 +75,10 @@ this.pd&&this.allowMenu);this.setItemEnabled("Script",this.allowMenu);this.setIt this.setItemEnabled("Export_AsMenu",null!=this.pd);this.enableMenus()},"JSV.api.JSVPanel");n(c$,"setItemEnabled",function(a,b){this.menuEnable(this.htMenus.get(a),b)},"~S,~B");n(c$,"setSelected",function(a,b){var c=this.htMenus.get(a);null==c||c.isSelected()==b||(this.menuEnable(c,!1),c.setSelected(b),this.menuEnable(c,!0))},"~S,~B");l(c$,"getUnknownCheckBoxScriptToRun",function(){return null},"J.api.SC,~S,~S,~B");M(c$,"dumpList",!1,"UPDATE_NEVER",-1,"UPDATE_ALL",0,"UPDATE_CONFIG",1,"UPDATE_SHOW", 2)});t("JSV.popup");A(["J.popup.PopupResource"],"JSV.popup.JSVPopupResourceBundle",null,function(){c$=N(JSV.popup,"JSVPopupResourceBundle",J.popup.PopupResource);l(c$,"getMenuName",function(){return"appMenu"});B(c$,function(){C(this,JSV.popup.JSVPopupResourceBundle,[null,null])});l(c$,"buildStructure",function(a){this.addItems(JSV.popup.JSVPopupResourceBundle.menuContents);this.addItems(JSV.popup.JSVPopupResourceBundle.structureContents);null!=a&&this.setStructure(a,null)},"~S");l(c$,"getWordContents", function(){return h(-1,[])});l(c$,"getMenuAsText",function(a){return this.getStuctureAsText(a,JSV.popup.JSVPopupResourceBundle.menuContents,JSV.popup.JSVPopupResourceBundle.structureContents)},"~S");M(c$,"menuContents",h(-1,[h(-1,["appMenu","_SIGNED_FileMenu Spectra... ShowMenu OptionsMenu ZoomMenu - Integration Peaks Measurements - Script... Properties"]),h(-1,["appletMenu","_SIGNED_FileMenu Spectra... - OptionsMenu ZoomMenu - Integration Peaks Measurements - Script... - Print... - AboutMenu"]), -h(-1,["_SIGNED_FileMenu","Open_File... Open_Simulation... Open_URL... - Add_File... Add_Simulation... Add_URL... - Save_AsMenu Export_AsMenu - Close_Views Close_Simulations Close_All"]),h(-1,["Save_AsMenu","Original... JDXMenu CML XML(AnIML)"]),h(-1,["JDXMenu","XY DIF DIFDUP FIX PAC SQZ"]),h(-1,["Export_AsMenu","PDF - JAVAJPG PNG"]),h(-1,["ShowMenu","Show_Header Show_Source Show_Overlay_Key"]),h(-1,["OptionsMenu","Toggle_Grid Toggle_X_Axis Toggle_Y_Axis Toggle_Coordinates Toggle_Trans/Abs Reverse_Plot Points_Only - Predicted_Solution_Colour Fill_Solution_Colour_(all) Fill_Solution_Colour_(none)"]), +h(-1,["_SIGNED_FileMenu","Open_File... Open_Simulation... Open_URL... - Add_File... Add_Simulation... Add_URL... - Save_AsMenu Export_AsMenu - Close_Views Close_Simulations Close_All"]),h(-1,["Save_AsMenu","Original... JDXMenu CML XML(AnIML)"]),h(-1,["JDXMenu","XY DIF DIFDUP FIX PAC SQZ"]),h(-1,["Export_AsMenu","PDF - JPG PNG SVG"]),h(-1,["ShowMenu","Show_Header Show_Source Show_Overlay_Key"]),h(-1,["OptionsMenu","Toggle_Grid Toggle_X_Axis Toggle_Y_Axis Toggle_Coordinates Toggle_Trans/Abs Reverse_Plot - Predicted_Solution_Colour Fill_Solution_Colour_(all) Fill_Solution_Colour_(none)"]), h(-1,["ZoomMenu","Next_Zoom Previous_Zoom Reset_Zoom - Set_X_Scale... Reset_X_Scale"]),h(-1,["AboutMenu","VERSION"])]),"structureContents",h(-1,[h(-1,["Open_File...","load ?"]),h(-1,["Open_URL...","load http://?"]),h(-1,["Open_Simulation...","load $?"]),h(-1,["Add_File...","load append ?"]),h(-1,["Add_URL...","load append http://?"]),h(-1,["Add_Simulation...",'load append $?; view "1HNMR"']),h(-1,["Close_All","close all"]),h(-1,["Close_Views","close views"]),h(-1,["Close Simulations","close simulations"]), h(-1,["Show_Header","showProperties"]),h(-1,["Show_Source","showSource"]),h(-1,["Show_Overlay_Key...","showKey"]),h(-1,["Next_Zoom","zoom next;showMenu"]),h(-1,["Previous_Zoom","zoom prev;showMenu"]),h(-1,["Reset_Zoom","zoom clear"]),h(-1,["Reset_X_Scale","zoom out"]),h(-1,["Set_X_Scale...","zoom"]),h(-1,["Spectra...","view"]),h(-1,["Overlay_Offset...","stackOffsetY"]),h(-1,["Script...","script INLINE"]),h(-1,["Properties","showProperties"]),h(-1,["Toggle_X_Axis","XSCALEON toggle;showMenu"]),h(-1, -["Toggle_Y_Axis","YSCALEON toggle;showMenu"]),h(-1,["Toggle_Grid","GRIDON toggle;showMenu"]),h(-1,["Toggle_Coordinates","COORDINATESON toggle;showMenu"]),h(-1,["Reverse_Plot","REVERSEPLOT toggle;showMenu"]),h(-1,["Points_Only","POINTSONLY toggle;showMenu"]),h(-1,["Measurements","SHOWMEASUREMENTS"]),h(-1,["Peaks","SHOWPEAKLIST"]),h(-1,["Integration","SHOWINTEGRATION"]),h(-1,["Toggle_Trans/Abs","IRMODE TOGGLE"]),h(-1,["Predicted_Solution_Colour","GETSOLUTIONCOLOR"]),h(-1,["Fill_Solution_Colour_(all)", -"GETSOLUTIONCOLOR fillall"]),h(-1,["Fill_Solution_Colour_(none)","GETSOLUTIONCOLOR fillallnone"]),h(-1,["Print...","print"]),h(-1,["Original...","write SOURCE"]),h(-1,["CML","write CML"]),h(-1,["XML(AnIML)","write XML"]),h(-1,["XY","write XY"]),h(-1,["DIF","write DIF"]),h(-1,["DIFDUP","write DIFDUP"]),h(-1,["FIX","write FIX"]),h(-1,["PAC","write PAC"]),h(-1,["SQZ","write SQZ"]),h(-1,["JPG","write JPG"]),h(-1,["SVG","write SVG"]),h(-1,["PNG","write PNG"]),h(-1,["PDF","write PDF"])]))})})(Clazz,Clazz.getClassName, -Clazz.newLongArray,Clazz.doubleToByte,Clazz.doubleToInt,Clazz.doubleToLong,Clazz.declarePackage,Clazz.instanceOf,Clazz.load,Clazz.instantialize,Clazz.decorateAsClass,Clazz.floatToInt,Clazz.floatToLong,Clazz.makeConstructor,Clazz.defineEnumConstant,Clazz.exceptionOf,Clazz.newIntArray,Clazz.defineStatics,Clazz.newFloatArray,Clazz.declareType,Clazz.prepareFields,Clazz.superConstructor,Clazz.newByteArray,Clazz.declareInterface,Clazz.p0p,Clazz.pu$h,Clazz.newShortArray,Clazz.innerTypeInstance,Clazz.isClassDefined, -Clazz.prepareCallback,Clazz.newArray,Clazz.castNullAs,Clazz.floatToShort,Clazz.superCall,Clazz.decorateAsType,Clazz.newBooleanArray,Clazz.newCharArray,Clazz.implementOf,Clazz.newDoubleArray,Clazz.overrideConstructor,Clazz.clone,Clazz.doubleToShort,Clazz.getInheritedLevel,Clazz.getParamsType,Clazz.isAF,Clazz.isAB,Clazz.isAI,Clazz.isAS,Clazz.isASS,Clazz.isAP,Clazz.isAFloat,Clazz.isAII,Clazz.isAFF,Clazz.isAFFF,Clazz.tryToSearchAndExecute,Clazz.getStackTrace,Clazz.inheritArgs,Clazz.alert,Clazz.defineMethod, -Clazz.overrideMethod,Clazz.declareAnonymous,Clazz.cloneFinals); +["Toggle_Y_Axis","YSCALEON toggle;showMenu"]),h(-1,["Toggle_Grid","GRIDON toggle;showMenu"]),h(-1,["Toggle_Coordinates","COORDINATESON toggle;showMenu"]),h(-1,["Reverse_Plot","REVERSEPLOT toggle;showMenu"]),h(-1,["Measurements","SHOWMEASUREMENTS"]),h(-1,["Peaks","SHOWPEAKLIST"]),h(-1,["Integration","SHOWINTEGRATION"]),h(-1,["Toggle_Trans/Abs","IRMODE TOGGLE"]),h(-1,["Predicted_Solution_Colour","GETSOLUTIONCOLOR"]),h(-1,["Fill_Solution_Colour_(all)","GETSOLUTIONCOLOR fillall"]),h(-1,["Fill_Solution_Colour_(none)", +"GETSOLUTIONCOLOR fillallnone"]),h(-1,["Print...","print"]),h(-1,["Original...","write SOURCE"]),h(-1,["CML","write CML"]),h(-1,["XML(AnIML)","write XML"]),h(-1,["XY","write XY"]),h(-1,["DIF","write DIF"]),h(-1,["DIFDUP","write DIFDUP"]),h(-1,["FIX","write FIX"]),h(-1,["PAC","write PAC"]),h(-1,["SQZ","write SQZ"]),h(-1,["JPG","write JPG"]),h(-1,["SVG","write SVG"]),h(-1,["PNG","write PNG"]),h(-1,["PDF","write PDF"])]))})})(Clazz,Clazz.getClassName,Clazz.newLongArray,Clazz.doubleToByte,Clazz.doubleToInt, +Clazz.doubleToLong,Clazz.declarePackage,Clazz.instanceOf,Clazz.load,Clazz.instantialize,Clazz.decorateAsClass,Clazz.floatToInt,Clazz.floatToLong,Clazz.makeConstructor,Clazz.defineEnumConstant,Clazz.exceptionOf,Clazz.newIntArray,Clazz.defineStatics,Clazz.newFloatArray,Clazz.declareType,Clazz.prepareFields,Clazz.superConstructor,Clazz.newByteArray,Clazz.declareInterface,Clazz.p0p,Clazz.pu$h,Clazz.newShortArray,Clazz.innerTypeInstance,Clazz.isClassDefined,Clazz.prepareCallback,Clazz.newArray,Clazz.castNullAs, +Clazz.floatToShort,Clazz.superCall,Clazz.decorateAsType,Clazz.newBooleanArray,Clazz.newCharArray,Clazz.implementOf,Clazz.newDoubleArray,Clazz.overrideConstructor,Clazz.clone,Clazz.doubleToShort,Clazz.getInheritedLevel,Clazz.getParamsType,Clazz.isAF,Clazz.isAB,Clazz.isAI,Clazz.isAS,Clazz.isASS,Clazz.isAP,Clazz.isAFloat,Clazz.isAII,Clazz.isAFF,Clazz.isAFFF,Clazz.tryToSearchAndExecute,Clazz.getStackTrace,Clazz.inheritArgs,Clazz.alert,Clazz.defineMethod,Clazz.overrideMethod,Clazz.declareAnonymous,Clazz.cloneFinals); diff --git a/qmpy/web/static/js/jsmol/j2s/core/coremenu.js b/qmpy/web/static/js/jsmol/j2s/core/coremenu.js index 16e77f27..3c6222e0 100644 --- a/qmpy/web/static/js/jsmol/j2s/core/coremenu.js +++ b/qmpy/web/static/js/jsmol/j2s/core/coremenu.js @@ -325,14 +325,6 @@ this.popupMenu = this.helper.menuCreatePopup (title, applet); this.thisPopup = this.popupMenu; this.htMenus.put (title, this.popupMenu); this.addMenuItems ("", title, this.popupMenu, bundle); -try { -this.jpiUpdateComputedMenus (); -} catch (e) { -if (Clazz_exceptionOf (e, NullPointerException)) { -} else { -throw e; -} -} }, "~S,J.popup.PopupResource,~O,~B,~B,~B"); Clazz_defineMethod (c$, "addMenuItems", function (parentId, key, menu, popupResourceBundle) { @@ -369,8 +361,7 @@ continue; if (item.indexOf ("more") < 0) this.helper.menuAddButtonGroup (null); var subMenu = this.menuNewSubMenu (label, id + "." + item); this.menuAddSubMenu (menu, subMenu); -if (item.indexOf ("Computed") < 0) this.addMenuItems (id, item, subMenu, popupResourceBundle); -this.appCheckSpecialMenu (item, subMenu, label); +this.addMenu (id, item, subMenu, label, popupResourceBundle); newItem = subMenu; } else if (item.endsWith ("Checkbox") || (isCB = (item.endsWith ("CB") || item.endsWith ("RD")))) { script = popupResourceBundle.getStructure (item); @@ -391,6 +382,11 @@ if (!this.allowSignedFeatures) this.menuEnable (newItem, false); }this.appCheckItem (item, newItem); } }, "~S,~S,J.api.SC,J.popup.PopupResource"); +Clazz_defineMethod (c$, "addMenu", +function (id, item, subMenu, label, popupResourceBundle) { +if (item.indexOf ("Computed") < 0) this.addMenuItems (id, item, subMenu, popupResourceBundle); +this.appCheckSpecialMenu (item, subMenu, label); +}, "~S,~S,J.api.SC,~S,J.popup.PopupResource"); Clazz_defineMethod (c$, "updateSignedAppletItems", function () { for (var i = this.SignedOnly.size (); --i >= 0; ) this.menuEnable (this.SignedOnly.get (i), this.allowSignedFeatures); @@ -427,6 +423,7 @@ return this.menuCreateItem (menuItem, entry, "", null); }, "J.api.SC,~S"); Clazz_defineMethod (c$, "menuSetLabel", function (m, entry) { +if (m == null) return; m.setText (entry); this.isTainted = true; }, "J.api.SC,~S"); @@ -811,9 +808,16 @@ Clazz_overrideMethod (c$, "jpiUpdateComputedMenus", function () { if (this.updateMode == -1) return; this.isTainted = true; -this.updateMode = 0; this.getViewerData (); +this.updateMode = 0; +this.updateMenus (); +}); +Clazz_defineMethod (c$, "updateMenus", +function () { this.updateSelectMenu (); +this.updateModelSetComputedMenu (); +this.updateAboutSubmenu (); +if (this.updateMode == 0) { this.updateFileMenu (); this.updateElementsComputedMenu (this.vwr.getElementsPresentBitSet (this.modelIndex)); this.updateHeteroComputedMenu (this.vwr.ms.getHeteroList (this.modelIndex)); @@ -824,10 +828,14 @@ this.updateMode = 1; this.updateConfigurationComputedMenu (); this.updateSYMMETRYComputedMenus (); this.updateFRAMESbyModelComputedMenu (); -this.updateModelSetComputedMenu (); this.updateLanguageSubmenu (); -this.updateAboutSubmenu (); -}); +} else { +this.updateSpectraMenu (); +this.updateFRAMESbyModelComputedMenu (); +this.updateSceneComputedMenu (); +for (var i = this.Special.size (); --i >= 0; ) this.updateSpecialMenuItem (this.Special.get (i)); + +}}); Clazz_overrideMethod (c$, "appCheckItem", function (item, newMenu) { if (item.indexOf ("!PDB") >= 0) { @@ -961,21 +969,15 @@ if (this.updateMode == -1) return; this.isTainted = true; this.getViewerData (); this.updateMode = 2; -this.updateSelectMenu (); -this.updateSpectraMenu (); -this.updateFRAMESbyModelComputedMenu (); -this.updateSceneComputedMenu (); -this.updateModelSetComputedMenu (); -this.updateAboutSubmenu (); -for (var i = this.Special.size (); --i >= 0; ) this.updateSpecialMenuItem (this.Special.get (i)); - +this.updateMenus (); }); Clazz_defineMethod (c$, "updateFileMenu", - function () { +function () { var menu = this.htMenus.get ("fileMenu"); if (menu == null) return; var text = this.getMenuText ("writeFileTextVARIABLE"); menu = this.htMenus.get ("writeFileTextVARIABLE"); +if (menu == null) return; var ignore = (this.modelSetFileName.equals ("zapped") || this.modelSetFileName.equals ("")); if (ignore) { this.menuSetLabel (menu, ""); @@ -990,14 +992,14 @@ var str = this.menuText.getProperty (key); return (str == null ? key : str); }, "~S"); Clazz_defineMethod (c$, "updateSelectMenu", - function () { +function () { var menu = this.htMenus.get ("selectMenuText"); if (menu == null) return; this.menuEnable (menu, this.ac != 0); this.menuSetLabel (menu, this.gti ("selectMenuText", this.vwr.slm.getSelectionCount ())); }); Clazz_defineMethod (c$, "updateElementsComputedMenu", - function (elementsPresentBitSet) { +function (elementsPresentBitSet) { var menu = this.htMenus.get ("elementsComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -1021,13 +1023,13 @@ this.menuCreateItem (menu, entryName, "SELECT " + elementName, null); this.menuEnable (menu, true); }, "JU.BS"); Clazz_defineMethod (c$, "updateSpectraMenu", - function () { +function () { +var menu = this.htMenus.get ("spectraMenu"); +if (menu == null) return; var menuh = this.htMenus.get ("hnmrMenu"); -var menuc = this.htMenus.get ("cnmrMenu"); if (menuh != null) this.menuRemoveAll (menuh, 0); +var menuc = this.htMenus.get ("cnmrMenu"); if (menuc != null) this.menuRemoveAll (menuc, 0); -var menu = this.htMenus.get ("spectraMenu"); -if (menu == null) return; this.menuRemoveAll (menu, 0); var isOK = new Boolean (this.setSpectraMenu (menuh, this.hnmrPeaks) | this.setSpectraMenu (menuc, this.cnmrPeaks)).valueOf (); if (isOK) { @@ -1037,10 +1039,10 @@ if (menuc != null) this.menuAddSubMenu (menu, menuc); }); Clazz_defineMethod (c$, "setSpectraMenu", function (menu, peaks) { -if (menu == null) return false; -this.menuEnable (menu, false); var n = (peaks == null ? 0 : peaks.size ()); if (n == 0) return false; +if (menu == null) return false; +this.menuEnable (menu, false); for (var i = 0; i < n; i++) { var peak = peaks.get (i); var title = JU.PT.getQuotedAttribute (peak, "title"); @@ -1051,7 +1053,7 @@ this.menuEnable (menu, true); return true; }, "J.api.SC,JU.Lst"); Clazz_defineMethod (c$, "updateHeteroComputedMenu", - function (htHetero) { +function (htHetero) { var menu = this.htMenus.get ("PDBheteroComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -1069,7 +1071,7 @@ n++; this.menuEnable (menu, (n > 0)); }, "java.util.Map"); Clazz_defineMethod (c$, "updateSurfMoComputedMenu", - function (moData) { +function (moData) { var menu = this.htMenus.get ("surfMoComputedMenuText"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -1101,7 +1103,7 @@ this.menuCreateItem (subMenu, entryName, script, null); } }, "java.util.Map"); Clazz_defineMethod (c$, "updateFileTypeDependentMenus", - function () { +function () { for (var i = this.NotPDB.size (); --i >= 0; ) this.menuEnable (this.NotPDB.get (i), !this.isPDB); for (var i = this.PDBOnly.size (); --i >= 0; ) this.menuEnable (this.PDBOnly.get (i), this.isPDB); @@ -1127,7 +1129,7 @@ for (var i = this.TemperatureOnly.size (); --i >= 0; ) this.menuEnable (this.Tem this.updateSignedAppletItems (); }); Clazz_defineMethod (c$, "updateSceneComputedMenu", - function () { +function () { var menu = this.htMenus.get ("sceneComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -1139,20 +1141,20 @@ for (var i = 0; i < scenes.length; i++) this.menuCreateItem (menu, scenes[i], "r this.menuEnable (menu, true); }); Clazz_defineMethod (c$, "updatePDBComputedMenus", - function () { -var menu = this.htMenus.get ("PDBaaResiduesComputedMenu"); -if (menu == null) return; -this.menuRemoveAll (menu, 0); -this.menuEnable (menu, false); -var menu1 = this.htMenus.get ("PDBnucleicResiduesComputedMenu"); -if (menu1 == null) return; +function () { +var menu3 = this.htMenus.get ("PDBaaResiduesComputedMenu"); +if (menu3 != null) { +this.menuRemoveAll (menu3, 0); +this.menuEnable (menu3, false); +}var menu1 = this.htMenus.get ("PDBnucleicResiduesComputedMenu"); +if (menu1 != null) { this.menuRemoveAll (menu1, 0); this.menuEnable (menu1, false); -var menu2 = this.htMenus.get ("PDBcarboResiduesComputedMenu"); -if (menu2 == null) return; +}var menu2 = this.htMenus.get ("PDBcarboResiduesComputedMenu"); +if (menu2 != null) { this.menuRemoveAll (menu2, 0); this.menuEnable (menu2, false); -if (this.modelSetInfo == null) return; +}if (this.modelSetInfo == null) return; var n = (this.modelIndex < 0 ? 0 : this.modelIndex + 1); var lists = (this.modelSetInfo.get ("group3Lists")); this.group3List = (lists == null ? null : lists[n]); @@ -1160,20 +1162,23 @@ this.group3Counts = (lists == null ? null : (this.modelSetInfo.get ("group3Count if (this.group3List == null) return; var nItems = 0; var groupList = JM.Group.standardGroupList; -for (var i = 1; i < 24; ++i) nItems += this.updateGroup3List (menu, groupList.substring (i * 6 - 4, i * 6 - 1).trim ()); +if (menu3 != null) { +for (var i = 1; i < 24; ++i) nItems += this.updateGroup3List (menu3, groupList.substring (i * 6 - 4, i * 6 - 1).trim ()); -nItems += this.augmentGroup3List (menu, "p>", true); -this.menuEnable (menu, (nItems > 0)); +nItems += this.augmentGroup3List (menu3, "p>", true); +this.menuEnable (menu3, (nItems > 0)); this.menuEnable (this.htMenus.get ("PDBproteinMenu"), (nItems > 0)); +}if (menu1 != null) { nItems = this.augmentGroup3List (menu1, "n>", false); this.menuEnable (menu1, nItems > 0); this.menuEnable (this.htMenus.get ("PDBnucleicMenu"), (nItems > 0)); var dssr = (nItems > 0 && this.modelIndex >= 0 ? this.vwr.ms.getInfo (this.modelIndex, "dssr") : null); if (dssr != null) this.setSecStrucMenu (this.htMenus.get ("aaStructureMenu"), dssr); +}if (menu2 != null) { nItems = this.augmentGroup3List (menu2, "c>", false); this.menuEnable (menu2, nItems > 0); this.menuEnable (this.htMenus.get ("PDBcarboMenu"), (nItems > 0)); -}); +}}); Clazz_defineMethod (c$, "setSecStrucMenu", function (menu, dssr) { var counts = dssr.get ("counts"); @@ -1218,12 +1223,12 @@ pt++; return nItems; }, "J.api.SC,~S,~B"); Clazz_defineMethod (c$, "updateSYMMETRYComputedMenus", - function () { +function () { this.updateSYMMETRYSelectComputedMenu (); this.updateSYMMETRYShowComputedMenu (); }); Clazz_defineMethod (c$, "updateSYMMETRYShowComputedMenu", - function () { +function () { var menu = this.htMenus.get ("SYMMETRYShowComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -1253,7 +1258,7 @@ this.menuEnable (this.menuCreateItem (subMenu, entryName, "draw SYMOP " + (i + 1 this.menuEnable (menu, true); }); Clazz_defineMethod (c$, "updateSYMMETRYSelectComputedMenu", - function () { +function () { var menu = this.htMenus.get ("SYMMETRYSelectComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -1279,7 +1284,7 @@ this.menuEnable (this.menuCreateItem (subMenu, entryName, "SELECT symop=" + (i + this.menuEnable (menu, true); }); Clazz_defineMethod (c$, "updateFRAMESbyModelComputedMenu", - function () { +function () { var menu = this.htMenus.get ("FRAMESbyModelComputedMenu"); if (menu == null) return; this.menuEnable (menu, (this.modelCount > 0)); @@ -1311,7 +1316,7 @@ this.menuCreateCheckboxItem (subMenu, entryName, "model " + script + " ##", null } }); Clazz_defineMethod (c$, "updateConfigurationComputedMenu", - function () { +function () { var menu = this.htMenus.get ("configurationComputedMenu"); if (menu == null) return; this.menuEnable (menu, this.isMultiConfiguration); @@ -1328,7 +1333,7 @@ this.menuCreateCheckboxItem (menu, entryName, script, null, (this.updateMode == } }); Clazz_defineMethod (c$, "updateModelSetComputedMenu", - function () { +function () { var menu = this.htMenus.get ("modelSetMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -1383,12 +1388,12 @@ Clazz_defineMethod (c$, "gto", return J.i18n.GT.o (J.i18n.GT.$ (this.getMenuText (s)), o); }, "~S,~O"); Clazz_defineMethod (c$, "updateAboutSubmenu", - function () { +function () { if (this.isApplet) this.setText ("APPLETid", this.vwr.appletName); { }}); Clazz_defineMethod (c$, "updateLanguageSubmenu", - function () { +function () { var menu = this.htMenus.get ("languageComputedMenu"); if (menu == null) return; this.menuRemoveAll (menu, 0); @@ -1409,7 +1414,7 @@ this.menuCreateCheckboxItem (menu, menuLabel, "language = \"" + code + "\" ##" + }} }); Clazz_defineMethod (c$, "updateSpecialMenuItem", - function (m) { +function (m) { m.setText (this.getSpecialLabel (m.getName (), m.getText ())); }, "J.api.SC"); Clazz_defineMethod (c$, "getSpecialLabel", diff --git a/qmpy/web/static/js/jsmol/j2s/core/coremenu.z.js b/qmpy/web/static/js/jsmol/j2s/core/coremenu.z.js index 43410a06..49bcfcea 100644 --- a/qmpy/web/static/js/jsmol/j2s/core/coremenu.z.js +++ b/qmpy/web/static/js/jsmol/j2s/core/coremenu.z.js @@ -1,55 +1,55 @@ -(function(la,ma,na,oa,C,pa,r,qa,s,w,x,ra,sa,D,ta,z,ua,N,va,O,E,da,wa,ea,xa,ya,za,Aa,Ba,Ca,b,Da,Ea,fa,Fa,Ga,Ha,Ia,Ja,Ka,La,Ma,Na,Oa,Pa,Qa,Ra,Sa,Ta,Ua,Va,Wa,Xa,Ya,Za,$a,ab,bb,j,n){var h=Jmol.__$;if(!h.ui)try{var l=h,Q=function(a,c){var d,b,e,g=a.nodeName.toLowerCase();return"area"===g?(d=a.parentNode,b=d.name,!a.href||!b||"map"!==d.nodeName.toLowerCase()?!1:(e=l("img[usemap=#"+b+"]")[0],!!e&&P(e))):(/input|select|textarea|button|object/.test(g)?!a.disabled:"a"===g?a.href||c:c)&&P(a)},P=function(a){return l.expr.filters.visible(a)&& +(function(la,ma,na,oa,B,pa,r,qa,s,w,x,ra,sa,C,ta,D,ua,N,va,O,E,da,wa,ea,xa,ya,za,Aa,Ba,Ca,b,Da,Ea,fa,Fa,Ga,Ha,Ia,Ja,Ka,La,Ma,Na,Oa,Pa,Qa,Ra,Sa,Ta,Ua,Va,Wa,Xa,Ya,Za,$a,ab,bb,j,n){var h=Jmol.__$;if(!h.ui)try{var l=h,Q=function(a,c){var e,b,d,g=a.nodeName.toLowerCase();return"area"===g?(e=a.parentNode,b=e.name,!a.href||!b||"map"!==e.nodeName.toLowerCase()?!1:(d=l("img[usemap=#"+b+"]")[0],!!d&&P(d))):(/input|select|textarea|button|object/.test(g)?!a.disabled:"a"===g?a.href||c:c)&&P(a)},P=function(a){return l.expr.filters.visible(a)&& !l(a).parents().andSelf().filter(function(){return"hidden"===l.css(this,"visibility")}).length},ga=0,ha=/^ui-id-\d+$/;l.ui=l.ui||{};if(!l.ui.version){l.extend(l.ui,{version:"1.9.2",keyCode:{BACKSPACE:8,COMMA:188,DELETE:46,DOWN:40,END:35,ENTER:13,ESCAPE:27,HOME:36,LEFT:37,NUMPAD_ADD:107,NUMPAD_DECIMAL:110,NUMPAD_DIVIDE:111,NUMPAD_ENTER:108,NUMPAD_MULTIPLY:106,NUMPAD_SUBTRACT:109,PAGE_DOWN:34,PAGE_UP:33,PERIOD:190,RIGHT:39,SPACE:32,TAB:9,UP:38}});l.fn.extend({_focus:l.fn.focus,focus:function(a,c){return"number"== -typeof a?this.each(function(){var d=this;setTimeout(function(){l(d).focus();c&&c.call(d)},a)}):this._focus.apply(this,arguments)},scrollParent:function(){var a;return l.ui.ie&&/(static|relative)/.test(this.css("position"))||/absolute/.test(this.css("position"))?a=this.parents().filter(function(){return/(relative|absolute|fixed)/.test(l.css(this,"position"))&&/(auto|scroll)/.test(l.css(this,"overflow")+l.css(this,"overflow-y")+l.css(this,"overflow-x"))}).eq(0):a=this.parents().filter(function(){return/(auto|scroll)/.test(l.css(this, +typeof a?this.each(function(){var e=this;setTimeout(function(){l(e).focus();c&&c.call(e)},a)}):this._focus.apply(this,arguments)},scrollParent:function(){var a;return l.ui.ie&&/(static|relative)/.test(this.css("position"))||/absolute/.test(this.css("position"))?a=this.parents().filter(function(){return/(relative|absolute|fixed)/.test(l.css(this,"position"))&&/(auto|scroll)/.test(l.css(this,"overflow")+l.css(this,"overflow-y")+l.css(this,"overflow-x"))}).eq(0):a=this.parents().filter(function(){return/(auto|scroll)/.test(l.css(this, "overflow")+l.css(this,"overflow-y")+l.css(this,"overflow-x"))}).eq(0),/fixed/.test(this.css("position"))||!a.length?l(document):a},zIndex:function(a){if(void 0!==a)return this.css("zIndex",a);if(this.length){a=l(this[0]);for(var c;a.length&&a[0]!==document;){c=a.css("position");if("absolute"===c||"relative"===c||"fixed"===c)if(c=parseInt(a.css("zIndex"),10),!isNaN(c)&&0!==c)return c;a=a.parent()}}return 0},uniqueId:function(){return this.each(function(){this.id||(this.id="ui-id-"+ ++ga)})},removeUniqueId:function(){return this.each(function(){ha.test(this.id)&& -l(this).removeAttr("id")})}});l.extend(l.expr[":"],{data:l.expr.createPseudo?l.expr.createPseudo(function(a){return function(c){return!!l.data(c,a)}}):function(a,c,d){return!!l.data(a,d[3])},focusable:function(a){return Q(a,!isNaN(l.attr(a,"tabindex")))},tabbable:function(a){var c=l.attr(a,"tabindex"),d=isNaN(c);return(d||0<=c)&&Q(a,!d)}});l(function(){var a=document.body,c=a.appendChild(c=document.createElement("div"));c.offsetHeight;l.extend(c.style,{minHeight:"100px",height:"auto",padding:0,borderWidth:0}); 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+l.support.minHeight=100===c.offsetHeight;l.support.selectstart="onselectstart"in c;a.removeChild(c).style.display="none"});l("").outerWidth(1).jquery||l.each(["Width","Height"],function(a,c){function e(a,c,e,d){return l.each(b,function(){c-=parseFloat(l.css(a,"padding"+this))||0;e&&(c-=parseFloat(l.css(a,"border"+this+"Width"))||0);d&&(c-=parseFloat(l.css(a,"margin"+this))||0)}),c}var b="Width"===c?["Left","Right"]:["Top","Bottom"],d=c.toLowerCase(),g={innerWidth:l.fn.innerWidth,innerHeight:l.fn.innerHeight, +outerWidth:l.fn.outerWidth,outerHeight:l.fn.outerHeight};l.fn["inner"+c]=function(a){return void 0===a?g["inner"+c].call(this):this.each(function(){l(this).css(d,e(this,a)+"px")})};l.fn["outer"+c]=function(a,b){return"number"!=typeof a?g["outer"+c].call(this,a):this.each(function(){l(this).css(d,e(this,a,!0,b)+"px")})}});if(l("").data("a-b","a").removeData("a-b").data("a-b")){var S=l.fn.removeData;l.fn.removeData=function(a){return arguments.length?S.call(this,l.camelCase(a)):S.call(this)}}var T= +/msie ([\w.]+)/.exec(navigator.userAgent.toLowerCase())||[];l.ui.ie=T.length?!0:!1;l.ui.ie6=6===parseFloat(T[1],10);l.fn.extend({disableSelection:function(){return this.bind((l.support.selectstart?"selectstart":"mousedown")+".ui-disableSelection",function(a){a.preventDefault()})},enableSelection:function(){return this.unbind(".ui-disableSelection")}});l.extend(l.ui,{plugin:{add:function(a,c,e){var b;a=l.ui[a].prototype;for(b in e)a.plugins[b]=a.plugins[b]||[],a.plugins[b].push([c,e[b]])},call:function(a, +c,e){var b=a.plugins[c];if(b&&a.element[0].parentNode&&11!==a.element[0].parentNode.nodeType)for(c=0;cc&&a",options:{disabled:!1,create:null},_createWidget:function(a,c){c=k(c||this.defaultElement||this)[0];this.element=k(c);this.uuid=ia++;this.eventNamespace="."+this.widgetName+this.uuid;this.options=k.widget.extend({},this.options, this._getCreateOptions(),a);this.bindings=k();this.hoverable=k();this.focusable=k();c!==this&&(k.data(c,this.widgetName,this),k.data(c,this.widgetFullName,this),this._on(!0,this.element,{remove:function(a){a.target===c&&this.destroy()}}),this.document=k(c.style?c.ownerDocument:c.document||c),this.window=k(this.document[0].defaultView||this.document[0].parentWindow));this._create();this._trigger("create",null,this._getCreateEventData());this._init()},_getCreateOptions:k.noop,_getCreateEventData:k.noop, _create:k.noop,_init:k.noop,destroy:function(){this._destroy();this.element.unbind(this.eventNamespace).removeData(this.widgetName).removeData(this.widgetFullName).removeData(k.camelCase(this.widgetFullName));this.widget().unbind(this.eventNamespace).removeAttr("aria-disabled").removeClass(this.widgetFullName+"-disabled ui-state-disabled");this.bindings.unbind(this.eventNamespace);this.hoverable.removeClass("ui-state-hover");this.focusable.removeClass("ui-state-focus")},_destroy:k.noop,widget:function(){return this.element}, -option:function(a,c){var d=a,b,e,g;if(0===arguments.length)return k.widget.extend({},this.options);if("string"==typeof a)if(d={},b=a.split("."),a=b.shift(),b.length){e=d[a]=k.widget.extend({},this.options[a]);for(g=0;g=this.options.distance},_mouseDelayMet:function(){return this.mouseDelayMet},_mouseStart:function(){},_mouseDrag:function(){},_mouseStop:function(){},_mouseCapture:function(){return!0}})}catch(eb){System.out.println("coremenu failed to load jQuery.ui.mouse -- jQuery version conflict?")}if(!h.ui.position)try{var W= -function(a,c,d){return[parseInt(a[0],10)*(V.test(a[0])?c/100:1),parseInt(a[1],10)*(V.test(a[1])?d/100:1)]};h.ui=h.ui||{};var G,A=Math.max,t=Math.abs,X=Math.round,Y=/left|center|right/,Z=/top|center|bottom/,$=/[\+\-]\d+%?/,aa=/^\w+/,V=/%$/,ka=h.fn.position;h.position={scrollbarWidth:function(){if(void 0!==G)return G;var a,c,d=h("
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    "),b=e.children()[0];return h("body").append(e),a=b.offsetWidth, +e.css("overflow","scroll"),c=b.offsetWidth,a===c&&(c=e[0].clientWidth),e.remove(),G=a-c},getScrollInfo:function(a){var c=a.isWindow?"":a.element.css("overflow-x"),e=a.isWindow?"":a.element.css("overflow-y"),e="scroll"===e||"auto"===e&&a.heighth?"left":0k?"top":0A(t(j),t(k))?l.important="horizontal":l.important="vertical";a.using.call(this,c,l)});r.offset(h.extend(q, +{using:R}))})};h.ui.position={fit:{left:function(a,c){var e=c.within,b=e.isWindow?e.scrollLeft:e.offset.left,e=e.width,d=a.left-c.collisionPosition.marginLeft,g=b-d,m=d+c.collisionWidth-e-b,h;c.collisionWidth>e?0=m?(h=a.left+g+c.collisionWidth-e-b,a.left+=g-h):0=g?a.left=b:g>m?a.left=b+e-c.collisionWidth:a.left=b:0f?0=m?(h=a.top+g+c.collisionHeight-f-b,a.top+=g-h):0=g?a.top=b:g>m?a.top=b+f-c.collisionHeight:a.top=b:0b){if(f=a.left+m+j+k+c.collisionWidth-d-f,0>f||fm?(n=a.top+h+j+k+c.collisionHeight-d-f,a.top+h+j+k>m&&(0>n||ng&&(0H;u.innerHTML="";z.removeChild(u);if(!1!==h.uiBackCompat){var ba=h.fn.position; h.fn.position=function(a){if(!a||!a.offset)return ba.call(this,a);var c=a.offset.split(" "),b=a.at.split(" ");return 1===c.length&&(c[1]=c[0]),/^\d/.test(c[0])&&(c[0]="+"+c[0]),/^\d/.test(c[1])&&(c[1]="+"+c[1]),1===b.length&&(/left|center|right/.test(b[0])?b[1]="center":(b[1]=b[0],b[0]="center")),ba.call(this,h.extend(a,{at:b[0]+c[0]+" "+b[1]+c[1],offset:void 0}))}}}catch(fb){System.out.println("coremenu failed to load jQuery.ui.position -- jQuery version conflict?")}if(!h.ui.menu)try{var M=!1;h.widget("ui.menu", {version:"1.9.2",defaultElement:"
    - + {% if use_cdn|USE_CDN %} + + {% else %} + + {% endif %}
    +CHiMaD, TRI, DOE, Northwestern Quest + {% endblock %} {% block sidebar %} @@ -68,10 +76,8 @@

    Shortcuts

    -

    RESTful API

     - OQMD API -
    - Optimade API +

    RESTful API

    + (OPTIMADE)
    diff --git a/qmpy/web/templates/materials/composition.html b/qmpy/web/templates/materials/composition.html index 4472ca1f..a73eebe7 100644 --- a/qmpy/web/templates/materials/composition.html +++ b/qmpy/web/templates/materials/composition.html @@ -1,6 +1,7 @@ {% extends "base_site.html" %} {% load static %} {% load i18n %} +{% load custom_filters %} {% block title %} @@ -26,8 +27,7 @@ {% endblock %} {% block extrascript %} - - + {% if phase_comp %} {% if pd3d %} - +{% if use_cdn|USE_CDN %} + +{% else %} + +{% endif %} + {% endblock %} {% block content_title %} @@ -22,11 +22,12 @@

    Visualization

    -{% endblock %} - {% block extrastyle %} {% endblock %} @@ -222,6 +219,7 @@

    Original Reference

    {% block sidebar %}