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yoshida-lab / XenonPy

XenonPy is a Python Software for Materials Informatics
http://xenonpy.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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BaseDescriptor bug: featurizers option in Fingerprint class matches subset of string #188

Closed stewu5 closed 4 years ago

stewu5 commented 4 years ago

I created a new BaseFeaturizer called SECFP and adding it to Fingerprint class. When I call SECFP without calling ECFP with the transform function (featurizers=['SECFP']), ECFP is also called and transformation triggered, i.e., I end up with both ECFP and SECFP in my final dataframe output.