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Fixed bug related to use of extra user defined code
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engpedrorafael committed Mar 14, 2013
1 parent a1a6caa commit 695df24
Showing 1 changed file with 4 additions and 1 deletion.
5 changes: 4 additions & 1 deletion azorange/AZutilities/AZOrangePredictor.py
Original file line number Diff line number Diff line change
Expand Up @@ -514,7 +514,10 @@ def processSignificance(self, smi, prediction, orderedDesc, res, resultsPath, id
#Process Signatures
# OBS Hard coded for signatures 0 to 1.
smilesData = self.getAZOdata(smi)
dataSign, cmpdSignDict, cmpdSignList, sdfStr = getSignatures.getSignatures(smilesData, 0, 1, returnAtomID = True, useClabSmiles = False)
if "sign" in DescMethodsAvailable:
dataSign, cmpdSignDict, cmpdSignList, sdfStr = getSignatures.getSignatures(smilesData, 0, 1, returnAtomID = True, useClabSmiles = False)
else:
dataSign, cmpdSignDict, cmpdSignList, sdfStr = None,[{}]*len(smilesData),[[]]*len(smilesData),""
# If signSVM model already returning one sign as the most significant
if not (hasattr(self.model, "specialType") and self.model.specialType == 1):
downAbs = 0.0
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