forked from enviPath/enviPy
[Misc] Performance improvements, SMIRKS Coverage, Minor Bugfixes (#132)
Bump Python Version to 3.12 Make use of "epauth" optional Cache `srs` property of rules to speed up apply Adjust view names for use of `reverse()` Fix Views for Scenario Attachments Added Simply Compare View/Template to identify differences between rdkit and ambit Make migrations consistent with tests + compare Fixes #76 Set default year for Scenario Modal Fix html tags for package description Added Tests for Pathway / Rule Added remove stereo for apply Co-authored-by: Tim Lorsbach <tim@lorsba.ch> Reviewed-on: enviPath/enviPy#132
This commit is contained in:
55
templates/compare.html
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55
templates/compare.html
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@ -0,0 +1,55 @@
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{% extends "framework.html" %}
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{% block content %}
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<div>
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<form action="" method="post">
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{% csrf_token %}
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<input type="text" class="form-control" id="smiles" name="smiles" placeholder="SMILES"
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value="{{ smiles }}"/>
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<input type="text" class="form-control" id="smiles" name="smirks" placeholder="SMIRKS"
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value="{{ smirks }}"/>
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<button type="submit" class="btn btn-primary">Test</button>
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</form>
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</div>
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{% if result %}
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{{ smiles }}<p></p>
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<img width='400' src='{% url 'depict' %}?smiles={{ smiles|urlencode }}'><br>
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<p></p>
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{% if rule %}
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{{ smirks }}
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<p></p>
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{{ rule.reactants_smarts }}
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<p></p>
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{{ rule.products_smarts }}
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<p></p>
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<div>
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{{ rule.as_svg|safe }}
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</div>
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{% endif %}
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<h2>Diff</h2>
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{% if diff %}
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{% for d in diff %}
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{{ d }}
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{% endfor %}
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{% else %}
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{{ "No diff" }}
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{% endif %}
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<div>
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<div class="col-md-6">
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<h2>Ambit</h2>
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{% for p in ambit_res %}
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{{ p }}<br>
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<img width='400' src='{% url 'depict' %}?smiles={{ p|urlencode }}'><br>
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{% endfor %}
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</div>
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<div class="col-md-6">
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<h2>RDKit</h2>
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{% for p in rdkit_res %}
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{{ p }}<br>
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<img width='400' src='{% url 'depict' %}?smiles={{ p|urlencode }}'><br>
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{% endfor %}
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</div>
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</div>
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{% endif %}
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{% endblock content %}
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@ -134,7 +134,7 @@
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<a data-toggle="dropdown" class="dropdown-toggle" href="#">Info <b class="caret"></b></a>
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<ul role="menu" class="dropdown-menu">
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<!--<li><a href="{{ meta.server_url }}/funding" id="fundingLink">Funding</a></li>-->
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<li><a href="https://envipath.com/license/" id="licenceLink">Licences</a></li>
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<li><a href="https://community.envipath.org/t/envipath-license/109" id="licenceLink">Licences</a></li>
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<li class="divider"></li>
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<li><a target="_blank" href="https://wiki.envipath.org/" id="wikiLink">Documentation Wiki</a>
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</li>
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@ -1,50 +1,45 @@
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{% extends "framework.html" %}
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{% block content %}
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<div class="panel-group" id="migration-detail">
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<div class="panel panel-default">
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<div class="panel-heading" id="headingPanel" style="font-size:2rem;height: 46px">
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Migration Status for {{ bt_rule_name }}
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</div>
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<div class="panel-body">
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<p>A package contains pathways, rules, etc. and can reflect specific experimental
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conditions. <a target="_blank" href="https://wiki.envipath.org/index.php/packages" role="button">Learn
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more >></a></p>
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</div>
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{% for obj in results %}
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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{% if obj.status %}
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<span class="glyphicon glyphicon-ok" aria-hidden="true"
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style="float:right" data-toggle="tooltip"
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data-placement="top" title="" data-original-title="Reviewed">
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</span>
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{% else %}
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<span class="glyphicon glyphicon-remove" aria-hidden="true"
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style="float:right" data-toggle="tooltip"
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data-placement="top" title="" data-original-title="Reviewed">
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</span>
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{% endif %}
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<h4 class="panel-title">
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<a id="{{ obj.id }}-link" data-toggle="collapse" data-parent="#migration-detail"
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href="#{{ obj.id }}">{{ obj.name }}</a>
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</h4>
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</div>
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<div id="{{ obj.id }}" class="panel-collapse collapse {% if not obj.status %}in{% endif %}">
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<div class="panel-body list-group-item">
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{% if obj.status %}
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<p>Products generated by AMBIT: {{ obj.ambit_smiles }}</p>
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<p>Products generated by RDKit: {{ obj.rdkit_smiles }}</p>
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{% else %}
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<pre>{{ obj.detail }}</pre>
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{% endif %}
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<div class="panel-group" id="migration-detail">
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<div class="panel panel-default">
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<div class="panel-heading" id="headingPanel" style="font-size:2rem;height: 46px">
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Migration Status for {{ bt_rule_name }}
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</div>
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<div class="panel-body">
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<p>A package contains pathways, rules, etc. and can reflect specific experimental
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conditions. <a target="_blank" href="https://wiki.envipath.org/index.php/packages" role="button">Learn
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more >></a></p>
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</div>
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{% for obj in results %}
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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{% if obj.status %}
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<span class="glyphicon glyphicon-ok" aria-hidden="true"
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style="float:right" data-toggle="tooltip"
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data-placement="top" title="" data-original-title="Reviewed">
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</span>
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{% else %}
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<span class="glyphicon glyphicon-remove" aria-hidden="true"
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style="float:right" data-toggle="tooltip"
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data-placement="top" title="" data-original-title="Reviewed">
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</span>
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{% endif %}
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<h4 class="panel-title">
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<a id="{{ obj.id }}-link" data-toggle="collapse" data-parent="#migration-detail"
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href="#{{ obj.id }}">{{ obj.name }}</a>
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</h4>
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</div>
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<div id="{{ obj.id }}" class="panel-collapse collapse {% if not obj.status %}in{% endif %}">
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<div class="panel-body list-group-item">
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<pre>{{ obj.detail }}</pre>
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</div>
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</div>
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{% endfor %}
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</div>
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{% endfor %}
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</div>
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</div>
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<script>
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<script>
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</script>
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</script>
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{% endblock content %}
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@ -29,11 +29,11 @@
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<tr>
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<th>
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<input type="number" id="dateYear" name="scenario-date-year" class="form-control"
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placeholder="YYYY">
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placeholder="YYYY" max="{% now "Y" %}">
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</th>
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<th>
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<input type="number" id="dateMonth" name="scenario-date-month" min="1" max="12"
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class="form-control" placeholder="MM" align="">
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class="form-control" placeholder="MM" >
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</th>
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<th>
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<input type="number" id="dateDay" name="scenario-date-day" min="1" max="31" class="form-control"
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@ -88,8 +88,15 @@
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$('#new_scenario_form').submit();
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});
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});
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var dateYear = document.getElementById("dateYear");
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dateYear.addEventListener("change", () => {
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console.log("Final value after editing:", dateYear.value);
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if (dateYear.value.length < 4) {
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dateYear.value = {% now "Y" %};
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}
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});
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});
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</script>
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@ -29,7 +29,7 @@
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</div>
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</div>
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<div class="panel-body">
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<p> {{ package.description }} </p>
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<p> {{ package.description|safe }} </p>
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</div>
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<ul class="list-group">
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<li class="list-group-item">
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