added rxn metal attrs to own reverse reactions in family `get_trainin…

…g_set`
ReactionMechanismGenerator · Jul 26, 2021 · 4ce2516 · 4ce2516
1 parent 541af14
commit 4ce2516
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/rmgpy/data/kinetics/family.py b/rmgpy/data/kinetics/family.py
@@ -4332,7 +4332,8 @@ def get_reactant_thermo(reactant,metal):
                     reacts = [Species(molecule=[get_label_fixed_mol(x.molecule[0], root_labels)], thermo=x.thermo)
                               for x in rxns[i].reactants]
                     rrev = Reaction(reactants=products, products=reacts,
-                                    kinetics=rxns[i].generate_reverse_rate_coefficient(), rank=rxns[i].rank)
+                                    kinetics=rxns[i].generate_reverse_rate_coefficient(), rank=rxns[i].rank,
+                                    metal=rxns[i].metal, facet=rxns[i].facet, site=rxns[i].site)
                     rrev.is_forward = False
 
                     if estimate_thermo: