We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent 0b10f26 commit bd4a9fdCopy full SHA for bd4a9fd
rmgpy/data/kinetics/family.py
@@ -1331,8 +1331,11 @@ def isMoleculeForbidden(self, molecule):
1331
1332
forbidden_structures = getDB('forbidden')
1333
1334
+ # check family-specific forbidden structures
1335
if self.forbidden is not None and self.forbidden.isMoleculeForbidden(molecule):
1336
return True
1337
+
1338
+ # check RMG globally forbidden structures
1339
if forbidden_structures.isMoleculeForbidden(molecule):
1340
1341
return False
0 commit comments