Use Atom.is_surface_site method

Jackson's suggestion Co-authored-by: Jackson Burns <[email protected]>
ReactionMechanismGenerator · Oct 11, 2023 · cc899c3 · cc899c3
1 parent 321c7af
commit cc899c3
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/rmgpy/molecule/molecule.py b/rmgpy/molecule/molecule.py
@@ -1164,7 +1164,7 @@ def number_of_surface_sites(self):
         cython.declare(count=cython.int)
         count = 0
         for atom in self.atoms:
-            if atom.symbol == 'X':
+            if atom.is_surface_site():
                 count += 1
         return count