update adsorbate_conjugate_resonance_structure with double_or_triple …

…function
ReactionMechanismGenerator · Dec 5, 2024 · 091b62b · 091b62b
1 parent 35854ef
commit 091b62b
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/rmgpy/molecule/resonance.py b/rmgpy/molecule/resonance.py
@@ -1216,9 +1216,9 @@ def generate_adsorbate_conjugate_resonance_structures(mol):
         for atom in mol.vertices:
             paths = pathfinder.find_adsorbate_conjugate_delocalization_paths(atom)
             for atom1, atom2, atom3, atom4, atom45, bond12, bond23, bond34, bond45 in paths:
-                    if ((bond12.is_double() or bond12.is_triple()) and
+                    if (bond12.is_double_or_triple() and
                         (bond23.is_single() or bond23.is_double()) and
-                        (bond34.is_double() or bond34.is_triple()) and
+                        bond34.is_double_or_triple() and
                         (bond45.is_single() or bond45.is_double())):
                                 bond12.decrement_order()
                                 bond23.increment_order()