Make sure selected molecule is reactive

ReactionMechanismGenerator · Apr 5, 2019 · 920e501 · 920e501
1 parent bb121eb
commit 920e501
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/rmgpy/data/kinetics/common.py b/rmgpy/data/kinetics/common.py
@@ -214,7 +214,7 @@ def independent_ids():
         logging.debug('identical atom ids found between species. regenerating')
         for species in input_species:
             unreactive_mol_list = [mol for mol in species.molecule if not mol.reactive]
-            mol = species.molecule[0]
+            mol = [mol for mol in species.molecule if mol.reactive][0]  # Choose first reactive molecule
             mol.assignAtomIDs()
             species.molecule = [mol]
             # Remake resonance structures with new labels