[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

epdb/models.py

@@ -1101,7 +1101,7 @@ class ParallelRule(Rule):
     def _url(self):
         return '{}/parallel-rule/{}'.format(self.package.url, self.uuid)
 
-    @property
+    @cached_property
     def srs(self) -> QuerySet:
         return self.simple_rules.all()
 

epdb/urls.py

@@ -48,10 +48,10 @@ urlpatterns = [
     # User Detail
     re_path(rf'^user/(?P<user_uuid>{UUID})', v.user, name='user'),
     # Group Detail
-    re_path(rf'^group/(?P<group_uuid>{UUID})$', v.group, name='group_detail'),
+    re_path(rf'^group/(?P<group_uuid>{UUID})$', v.group, name='group detail'),
 
     # "in package" urls
-    re_path(rf'^package/(?P<package_uuid>{UUID})$', v.package, name='package_detail'),
+    re_path(rf'^package/(?P<package_uuid>{UUID})$', v.package, name='package detail'),
     # Compound
     re_path(rf'^package/(?P<package_uuid>{UUID})/compound$', v.package_compounds, name='package compound list'),
     re_path(rf'^package/(?P<package_uuid>{UUID})/compound/(?P<compound_uuid>{UUID})$', v.package_compound, name='package compound detail'),

epdb/views.py

@@ -870,7 +870,7 @@ def package(request, package_uuid):
                 object_to_copy = request.POST.get('object_to_copy')
 
                 if not object_to_copy:
-                    return error(request, 'Invalid target package.', 'Please select a target package.')
+                    return error(request, 'No object to copy', 'There was no object to copy.')
 
                 copied_object = copy_object(current_user, current_package, object_to_copy)
                 return JsonResponse({'success': copied_object.url})
@@ -1019,7 +1019,7 @@ def package_compound(request, package_uuid, compound_uuid):
 
         selected_scenarios = request.POST.getlist('selected-scenarios')
 
-        if selected_scenarios:
+        if selected_scenarios is not None:
             set_scenarios(current_user, current_compound, selected_scenarios)
             return redirect(current_compound.url)
 
@@ -1128,7 +1128,7 @@ def package_compound_structure(request, package_uuid, compound_uuid, structure_u
 
         selected_scenarios = request.POST.getlist('selected-scenarios')
 
-        if selected_scenarios:
+        if selected_scenarios is not None:
             set_scenarios(current_user, current_structure, selected_scenarios)
             return redirect(current_structure.url)
 
@@ -1255,7 +1255,7 @@ def package_rule(request, package_uuid, rule_uuid):
 
         selected_scenarios = request.POST.getlist('selected-scenarios')
 
-        if selected_scenarios:
+        if selected_scenarios is not None:
             set_scenarios(current_user, current_rule, selected_scenarios)
             return redirect(current_rule.url)
 
@@ -1358,7 +1358,7 @@ def package_reaction(request, package_uuid, reaction_uuid):
 
         selected_scenarios = request.POST.getlist('selected-scenarios')
 
-        if selected_scenarios:
+        if selected_scenarios is not None:
             set_scenarios(current_user, current_reaction, selected_scenarios)
             return redirect(current_reaction.url)
 
@@ -1545,7 +1545,7 @@ def package_pathway(request, package_uuid, pathway_uuid):
 
         selected_scenarios = request.POST.getlist('selected-scenarios')
 
-        if selected_scenarios:
+        if selected_scenarios is not None:
             set_scenarios(current_user, current_pathway, selected_scenarios)
             return redirect(current_pathway.url)
 
@@ -1691,7 +1691,7 @@ def package_pathway_node(request, package_uuid, pathway_uuid, node_uuid):
 
         selected_scenarios = request.POST.getlist('selected-scenarios')
 
-        if selected_scenarios:
+        if selected_scenarios is not None:
             set_scenarios(current_user, current_node, selected_scenarios)
             return redirect(current_node.url)
 
@@ -1800,7 +1800,7 @@ def package_pathway_edge(request, package_uuid, pathway_uuid, edge_uuid):
 
         selected_scenarios = request.POST.getlist('selected-scenarios')
 
-        if selected_scenarios:
+        if selected_scenarios is not None:
             set_scenarios(current_user, current_edge, selected_scenarios)
             return redirect(current_edge.url)