check for atomtype presence before removal

ReactionMechanismGenerator · Mar 16, 2024 · 7f76e04 · 7f76e04
1 parent 7e2b3f8
commit 7f76e04
Showing 1 changed file with 4 additions and 3 deletions.
diff --git a/rmgpy/molecule/group.py b/rmgpy/molecule/group.py
@@ -1419,10 +1419,11 @@ def get_extensions(self, r=None, r_bonds=None, r_un=None, basename='', atm_ind=N
             r = [ATOMTYPES[x] for x in r]
 
         R = r[:]
-        R.remove(ATOMTYPES['X'])
+        if ATOMTYPES['X'] in R:
+            R.remove(ATOMTYPES['X'])
         RnH = R[:]
-
-        RnH.remove(ATOMTYPES['H'])
+        if ATOMTYPES['H'] in RnH:
+            RnH.remove(ATOMTYPES['H'])
 
         atoms = self.atoms
         if atm_ind is None: