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[Misc] Performance improvements, SMIRKS Coverage, Minor Bugfixes (#132)

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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:
jebus
2025-09-26 19:33:03 +12:00
parent b5c759d74e
commit b757a07f91
23 changed files with 671 additions and 463 deletions
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77
templates/migration_detail.html
View File

@ -1,50 +1,45 @@
{% extends "framework.html" %}
{% block content %}
<div class="panel-group" id="migration-detail">
<div class="panel panel-default">
<div class="panel-heading" id="headingPanel" style="font-size:2rem;height: 46px">
Migration Status for {{ bt_rule_name }}
</div>
<div class="panel-body">
<p>A package contains pathways, rules, etc. and can reflect specific experimental
conditions. <a target="_blank" href="https://wiki.envipath.org/index.php/packages" role="button">Learn
more &gt;&gt;</a></p>
</div>
{% for obj in results %}
<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
{% if obj.status %}
<span class="glyphicon glyphicon-ok" aria-hidden="true"
style="float:right" data-toggle="tooltip"
data-placement="top" title="" data-original-title="Reviewed">
</span>
{% else %}
<span class="glyphicon glyphicon-remove" aria-hidden="true"
style="float:right" data-toggle="tooltip"
data-placement="top" title="" data-original-title="Reviewed">
</span>
{% endif %}
<h4 class="panel-title">
<a id="{{ obj.id }}-link" data-toggle="collapse" data-parent="#migration-detail"
href="#{{ obj.id }}">{{ obj.name }}</a>
</h4>
</div>
<div id="{{ obj.id }}" class="panel-collapse collapse {% if not obj.status %}in{% endif %}">
<div class="panel-body list-group-item">
{% if obj.status %}
<p>Products generated by AMBIT: {{ obj.ambit_smiles }}</p>
<p>Products generated by RDKit: {{ obj.rdkit_smiles }}</p>
{% else %}
<pre>{{ obj.detail }}</pre>
{% endif %}
<div class="panel-group" id="migration-detail">
<div class="panel panel-default">
<div class="panel-heading" id="headingPanel" style="font-size:2rem;height: 46px">
Migration Status for {{ bt_rule_name }}
</div>
<div class="panel-body">
<p>A package contains pathways, rules, etc. and can reflect specific experimental
conditions. <a target="_blank" href="https://wiki.envipath.org/index.php/packages" role="button">Learn
more &gt;&gt;</a></p>
</div>
{% for obj in results %}
<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
{% if obj.status %}
<span class="glyphicon glyphicon-ok" aria-hidden="true"
style="float:right" data-toggle="tooltip"
data-placement="top" title="" data-original-title="Reviewed">
</span>
{% else %}
<span class="glyphicon glyphicon-remove" aria-hidden="true"
style="float:right" data-toggle="tooltip"
data-placement="top" title="" data-original-title="Reviewed">
</span>
{% endif %}
<h4 class="panel-title">
<a id="{{ obj.id }}-link" data-toggle="collapse" data-parent="#migration-detail"
href="#{{ obj.id }}">{{ obj.name }}</a>
</h4>
</div>
<div id="{{ obj.id }}" class="panel-collapse collapse {% if not obj.status %}in{% endif %}">
<div class="panel-body list-group-item">
<pre>{{ obj.detail }}</pre>
</div>
</div>
{% endfor %}
</div>
{% endfor %}
</div>
</div>
<script>
<script>
</script>
</script>
{% endblock content %}