Refactor removeVanDerWaalsBonds to not modify dict while iterating

ReactionMechanismGenerator · Sep 10, 2019 · 6c8004e · 6c8004e
1 parent 34b3bc0
commit 6c8004e
Showing 1 changed file with 3 additions and 4 deletions.
diff --git a/rmgpy/molecule/group.py b/rmgpy/molecule/group.py
@@ -1132,10 +1132,9 @@ def removeVanDerWaalsBonds(self):
         Remove all bonds that are definitely only van der Waals bonds.
         """
         cython.declare(atom=GroupAtom, bond=GroupBond)
-        for atom in self.atoms:
-            for bond in atom.edges.values():
-                if bond.isVanDerWaals(wildcards=False):
-                    self.removeBond(bond)
+        for bond in self.getAllEdges():
+            if bond.isVanDerWaals(wildcards=False):
+                self.removeBond(bond)
 
     def sortAtoms(self):
         """