diff --git a/reacnetgenerator/_reachtml.py b/reacnetgenerator/_reachtml.py index 5e22d1d1a..bcf327ed9 100644 --- a/reacnetgenerator/_reachtml.py +++ b/reacnetgenerator/_reachtml.py @@ -1,14 +1,18 @@ # -*- coding: utf-8 -*- # Generate a web page to show the analysis report +import json import re +from collections import defaultdict from collections.abc import Mapping from multiprocessing import Pool + import htmlmin import openbabel import scour.scour from jinja2 import Template -from ._static import _html, _static_js, _static_css, _static_img + +from ._static import _html, _static_css, _static_img, _static_js class _HTMLResult(object): @@ -18,11 +22,10 @@ def __init__(self, ReacNetGenerator): self._imagefile = ReacNetGenerator.imagefilename self._nproc = ReacNetGenerator.nproc self._templatedict = { - "speciesline": 10, "speciesshownum": 30, - "reactionsline": 10, "reactionsshownum": 20, } + self._linkreac = defaultdict(list) def _report(self): self._readdata() @@ -37,7 +40,10 @@ def _readreaction(self): for line in f: sx = line.split() s = sx[1].split("->") - reaction.append((self._re(s[0]), self._re(s[1]), int(sx[0]))) + left, right, num = self._re(s[0]), self._re(s[1]), int(sx[0]) + reaction.append((left, right, num)) + if len(self._linkreac[left]) < 5: + self._linkreac[left].append(right) return reaction def _convertsvg(self, smiles): @@ -71,20 +77,25 @@ def _generateresult(self): self._generatesvg() self._templatedict["species"] = self._specs self._templatedict["reactions"] = self._reaction - self._templatedict["css"] = ''.join([ + self._templatedict["css"] = [ _static_css["bootstrap.min.css"], _static_css["creative.min.css"], _static_css["magnific-popup.min.css"], - _html['bk-css']]) + _html['bk-css'] + ] self._templatedict["bkimage"] = _static_img["fire.jpg"] - self._templatedict["javascript"] = "".join([ + self._templatedict["javascript"] = [ _static_js["jquery.min.js"], _static_js["bootstrap.bundle.min.js"], _static_js["jquery.easing.min.js"], _static_js["scrollreveal.min.js"], _static_js["jquery.magnific-popup.min.js"], _static_js["creative.min.js"], - ]) + _static_js["d3.min.js"], + _static_js["jsnetworkx.js"], + _static_js["reacnetgen.js"], + ] + self._templatedict["linkreac"] = json.dumps(self._linkreac) template = Template(_html["template"]) webpage = template.render(**self._templatedict) with open(self._resultfile, 'w', encoding="utf-8") as f: diff --git a/reacnetgenerator/_static.py b/reacnetgenerator/_static.py index 6553cd8f3..be203c084 100644 --- a/reacnetgenerator/_static.py +++ b/reacnetgenerator/_static.py @@ -26,6 +26,9 @@ def imgtobase64(path): "scrollreveal.min.js": getresource('static/js/scrollreveal.min.js'), "jquery.magnific-popup.min.js": getresource('static/js/jquery.magnific-popup.min.js'), "creative.min.js": getresource('static/js/creative.min.js'), + "d3.min.js": getresource('static/js/d3.min.js'), + "jsnetworkx.js": getresource('static/js/jsnetworkx.min.js'), + "reacnetgen.js": getresource('static/js/reacnetgen.js'), } _static_css = { "bootstrap.min.css": getresource('static/css/bootstrap.min.css'), diff --git a/reacnetgenerator/static/html/template.html b/reacnetgenerator/static/html/template.html index 7968f6ff7..6d64d5bbb 100644 --- a/reacnetgenerator/static/html/template.html +++ b/reacnetgenerator/static/html/template.html @@ -7,12 +7,17 @@ - + + @@ -80,10 +85,20 @@

Reaction Network

{% for spec in speciessvg %} {{ spec.svg }} + + + + {% endfor %} +
+
+
+
+
+
@@ -92,10 +107,10 @@

Species

{% for spec in species %} -
-
+
+ +
{{ loop.index }}
{% endfor %} @@ -104,7 +119,7 @@

Species

{% if species|length > speciesshownum %}
- Show all
{% endif %} @@ -120,26 +135,26 @@

(sorted by frequency)

{% for reac in reactions %} -
+
{{ loop.index }}
-
+
-
+
{{ reac[2] }}
-
+
-
+
{% endfor %}
{% if reactions|length > reactionsshownum %}
- Show all
{% endif %} @@ -165,7 +180,14 @@

(sorted by frequency)

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