fix isomorphism with site and morphology

ReactionMechanismGenerator · Feb 28, 2024 · 338b2b8 · 338b2b8
1 parent cf972e2
commit 338b2b8
Showing 1 changed file with 4 additions and 1 deletion.
diff --git a/rmgpy/molecule/molecule.py b/rmgpy/molecule/molecule.py
@@ -230,7 +230,10 @@ def equivalent(self, other, strict=True):
                         and self.radical_electrons == atom.radical_electrons
                         and self.lone_pairs == atom.lone_pairs
                         and self.charge == atom.charge
-                        and self.atomtype is atom.atomtype)
+                        and self.atomtype is atom.atomtype
+                        and self.site == atom.site
+                        and self.morphology == atom.morphology)
+
             else:
                 return self.element is atom.element
         elif isinstance(other, gr.GroupAtom):