From 19f4a3ef9ab17f7f9d60e06e1b6b5514c9ee29f4 Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Mon, 5 Jun 2017 16:29:33 -0400 Subject: [PATCH] Added a raise DatabaseError to thermo.py to avoid infinite looping incase a thermo pointer is corrupt --- rmgpy/data/thermo.py | 1 + 1 file changed, 1 insertion(+) diff --git a/rmgpy/data/thermo.py b/rmgpy/data/thermo.py index cbcfe848e64..56246566298 100644 --- a/rmgpy/data/thermo.py +++ b/rmgpy/data/thermo.py @@ -1661,6 +1661,7 @@ def __addGroupThermoData(self, thermoData, database, molecule, atom): data = entry.data comment = entry.label break + else: raise DatabaseError("Node {0} points to a non-existant group called {1} in database: {2}".format(node.label, data, database.label)) data.comment = '{0}({1})'.format(database.label, comment) # This code prints the hierarchy of the found node; useful for debugging