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Added a raise DatabaseError to thermo.py
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to avoid infinite looping incase a thermo pointer is corrupt
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alongd committed Jun 5, 2017
1 parent f4e2795 commit 19f4a3e
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1 change: 1 addition & 0 deletions rmgpy/data/thermo.py
Original file line number Diff line number Diff line change
Expand Up @@ -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
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