change generateReactions processing to use a list of groups/logic nod…

…es instead of entries
ReactionMechanismGenerator · Jan 20, 2019 · e59fcb6 · e59fcb6
1 parent a3edb67
commit e59fcb6
Showing 1 changed file with 5 additions and 7 deletions.
diff --git a/rmgpy/data/kinetics/family.py b/rmgpy/data/kinetics/family.py
@@ -1566,7 +1566,7 @@ def __matchReactantToTemplate(self, reactant, templateReactant):
         """
 
         if isinstance(templateReactant, list): templateReactant = templateReactant[0]
-        struct = templateReactant.item
+        struct = templateReactant
 
         if isinstance(struct, LogicNode):
             mappings = []
@@ -1804,14 +1804,12 @@ def __generateReactions(self, reactants, products=None, forward=True, prod_reson
                 grps = template.reactants[0].item.split()
                 template_reactants = []
                 for grp in grps:
-                    entry = deepcopy(template.reactants[0])
-                    entry.item = grp
-                    template_reactants.append(entry)
+                    template_reactants.append(grp)
             except AttributeError:
-                template_reactants = template.reactants
+                template_reactants = [x.item for x in template.reactants]
         else:
-            template_reactants = template.reactants
-            
+            template_reactants = [x.item for x in template.reactants]
+
         # Unimolecular reactants: A --> products
         if len(reactants) == 1 and len(template_reactants) == 1: