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More helpful debugging message in databaseTest.
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Tells you which group caused the problem molecule.
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rwest committed Mar 12, 2019
1 parent d83a8e7 commit aa5e4d5
Showing 1 changed file with 5 additions and 2 deletions.
7 changes: 5 additions & 2 deletions testing/databaseTest.py
Original file line number Diff line number Diff line change
Expand Up @@ -1035,8 +1035,11 @@ def general_checkSampleDescendsToGroup(self, group_name, group):
for entryName, entry in group.entries.iteritems():
try:
if isinstance(entry.item, Group):
sampleMolecule = entry.item.makeSampleMolecule()

try:
sampleMolecule = entry.item.makeSampleMolecule()
except:
logging.error("Problem making sample molecule for group {}\n{}".format(entryName, entry.item.toAdjacencyList()))
raise
#for now ignore sample atoms that use nitrogen types
nitrogen = False
for atom in sampleMolecule.atoms:
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