Merge pull request #12 from sandialabs/dev

Dev

Author: mrbuche

.github/workflows/codeql.yml

@@ -1,7 +1,5 @@
 name: "CodeQL"
 on:
-  push:
-    branches: [ "main" ]
   pull_request:
     branches: [ "main" ]
 jobs:

.github/workflows/main.yml

@@ -1,12 +1,7 @@
 name: main
 on:
-  push:
-    branches: [ main ]
   pull_request:
     branches: [ main ]
-  workflow_dispatch:
-env:
-  REPO_NAME: ${{ github.event.repository.name }}
 jobs:
   test:
     runs-on: ubuntu-latest
@@ -23,7 +18,7 @@ jobs:
       - name: install
         run: pip install .[testing]
       - name: pytest
-        run: python -m pytest --verbose --cov=./${REPO_NAME}/ --cov-report xml
+        run: python -m pytest --verbose --cov=./statmechcrack/ --cov-report xml
       - name: codecov
         uses: codecov/codecov-action@v3
         with:

.github/workflows/package.yml

@@ -15,7 +15,7 @@ jobs:
     outputs:
       VERSION: ${{ steps.version.outputs.VERSION }}
   pypi:
-    runs-on: ubuntu-20.04
+    runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v2
       - name: Install dependencies
@@ -33,7 +33,7 @@ jobs:
         run: sleep 500s
   test-pypi:
     needs: [get-version, pypi]
-    runs-on: ubuntu-20.04
+    runs-on: ubuntu-latest
     steps:
       - name: Install and test the package
         run: |
@@ -42,7 +42,7 @@ jobs:
           python -m statmechcrack.tests
   anaconda:
     needs: [get-version, pypi]
-    runs-on: ubuntu-20.04
+    runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v2
       - name: Prepare conda
@@ -80,7 +80,7 @@ jobs:
         run: sleep 500s
   test-anaconda:
     needs: [get-version, anaconda]
-    runs-on: ubuntu-20.04
+    runs-on: ubuntu-latest
     steps:
       - name: Install the package
         run: conda install --channel mrbuche statmechcrack==${{ needs.get-version.outputs.VERSION }}
@@ -93,7 +93,7 @@ jobs:
           python -m statmechcrack.tests
   docker:
     needs: [get-version, pypi]
-    runs-on: ubuntu-20.04
+    runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v2
       - name: Translate README.rst to .md for description
@@ -116,7 +116,7 @@ jobs:
         run: sleep 500s
   test-docker:
     needs: docker
-    runs-on: ubuntu-20.04
+    runs-on: ubuntu-latest
     container: mrbuche/statmechcrack
     steps:
       - name: Test the package

.github/workflows/pages.yml

@@ -2,7 +2,6 @@ name: pages
 on:
   push:
     branches: [ main ]
-  workflow_dispatch:
 jobs:
   gh-pages:
     runs-on: ubuntu-latest

.github/workflows/rtd.yml

@@ -2,7 +2,6 @@ name: rtd
 on:
   push:
     branches: [ main ]
-  workflow_dispatch:
 jobs:
   docs:
     runs-on: ubuntu-latest

README.rst

@@ -55,7 +55,7 @@ Citation
 
 |zenodo|
 
-\M. R. Buche and S. J. Grutzik, ``statMechCrack``: statistical mechanical models for crack growth, `Zenodo (2022) <https://doi.org/10.5281/zenodo.7008312>`_.
+\M. R. Buche and S. J. Grutzik, ``statMechCrack``: statistical mechanical models for crack growth, `Zenodo (2023) <https://doi.org/10.5281/zenodo.7008312>`_.
 
 *********
 Copyright

SECURITY.md

@@ -0,0 +1,5 @@
+# Security Policy
+
+## Reporting a Vulnerability
+
+If there are any vulnerabilities, do not hesitate to report them, but please report them privately.

setup.py

@@ -53,12 +53,7 @@ def get_version():
         'Development Status :: 5 - Production/Stable',
         'Intended Audience :: Science/Research',
         'Topic :: Scientific/Engineering',
-        'Programming Language :: Python :: 3.5',
-        'Programming Language :: Python :: 3.6',
-        'Programming Language :: Python :: 3.7',
-        'Programming Language :: Python :: 3.8',
-        'Programming Language :: Python :: 3.9',
-        'Programming Language :: Python :: 3.10',
+        'Programming Language :: Python'
     ],
     project_urls={
       'Anaconda': 'https://anaconda.org/mrbuche/statmechcrack',

statmechcrack/__init__.py

@@ -7,6 +7,10 @@
 from .isotensional import CrackIsotensional
 from .mechanical import CrackMechanical
 from .monte_carlo import CrackMonteCarlo
+from .q2d.core import CrackQ2D
+from .q2d.isometric import CrackQ2DIsometric
+from .q2d.isotensional import CrackQ2DIsotensional
+from .q2d.mechanical import CrackQ2DMechanical
 
 
-__version__ = "0.5.0"
+__version__ = "0.6.0"

statmechcrack/mechanical.py

@@ -14,7 +14,7 @@
 
 
 class CrackMechanical(BasicUtility):
-    """The crack model class for the isometric ensemble.
+    """The crack model class treated mechanically.
 
     Attributes:
         N (int): The number of broken bonds.

statmechcrack/q2d/__init__.py

@@ -0,0 +1,8 @@
+"""Initializes the subpackage.
+
+"""
+
+from .core import CrackQ2D
+from .isometric import CrackQ2DIsometric
+from .isotensional import CrackQ2DIsotensional
+from .mechanical import CrackQ2DMechanical

statmechcrack/q2d/core.py

@@ -0,0 +1,19 @@
+"""The core module for the quasi-two-dimensional crack model.
+
+"""
+
+from .isotensional import CrackQ2DIsotensional
+
+
+class CrackQ2D(CrackQ2DIsotensional):
+    r"""The quasi-two-dimensional crack model class.
+
+    """
+    def __init__(self, **kwargs):
+        """Initializes the :class:`CrackQ2D` class.
+
+        Initialize and inherit all attributes and methods
+        from a :class:`.CrackQ2DIsotensional` class instance.
+
+        """
+        CrackQ2DIsotensional.__init__(self, **kwargs)

statmechcrack/q2d/isometric.py

@@ -0,0 +1,21 @@
+"""A module for the quasi-two-dimensional crack model
+in the isometric ensemble.
+
+"""
+
+from .mechanical import CrackQ2DMechanical
+
+
+class CrackQ2DIsometric(CrackQ2DMechanical):
+    """The quasi-two-dimensional crack model class
+    for the isometric ensemble.
+
+    """
+    def __init__(self, **kwargs):
+        """Initializes the :class:`CrackQ2DIsometric` class.
+
+        Initialize and inherit all attributes and methods
+        from a :class:`.CrackQ2DMechanical` class instance.
+
+        """
+        CrackQ2DMechanical.__init__(self, **kwargs)

statmechcrack/q2d/isotensional.py

@@ -0,0 +1,21 @@
+"""A module for the quasi-two-dimensional crack model
+in the isotensional ensemble.
+
+"""
+
+from .isometric import CrackQ2DIsometric
+
+
+class CrackQ2DIsotensional(CrackQ2DIsometric):
+    """The quasi-two-dimensional crack model class
+    for the isotensional ensemble.
+
+    """
+    def __init__(self, **kwargs):
+        """Initializes the :class:`CrackQ2DIsotensional` class.
+
+        Initialize and inherit all attributes and methods
+        from a :class:`.CrackQ2DIsometric` class instance.
+
+        """
+        CrackQ2DIsometric.__init__(self, **kwargs)

statmechcrack/q2d/mechanical.py

@@ -0,0 +1,19 @@
+"""A module for the quasi-two-dimensional crack model treated mechanically.
+
+"""
+
+from ..utility import BasicUtility
+
+
+class CrackQ2DMechanical(BasicUtility):
+    """The quasi-two-dimensional crack model class treated mechanically.
+
+    """
+    def __init__(self, **kwargs):
+        """Initializes the :class:`CrackQ2DMechanical` class.
+
+        Initialize and inherit all attributes and methods
+        from a :class:`BasicUtility` class instance.
+
+        """
+        BasicUtility.__init__(self)