Hi
I was trying to use the FingerprintMol function with minSize optional
parameter to set all my fingerprints to the same size, but it turned out
that all the optional parameters stated earlier in the code need to be
given as well, otherwise one gets the following error.
Calling this function:
>FingerprintMol(molecule, fingerprinter=Chem.RDKFingerprint, minSize=2048)
Brings up this error:
C:\Users\admin\Miniconda2\envs\praktyki3\lib\site-packages\rdkit\Chem\Fingerprints\FingerprintMols.pyc
in FingerprintMol(mol, fingerprinter, **fpArgs) 69 fp =
FoldFingerprintToTargetDensity(fp,**fpArgs) 70 else:---> 71
fp = fingerprinter(mol,fpArgs['minPath'],fpArgs['maxPath'], 72
fpArgs['fpSize'],fpArgs['bitsPerHash'], 73
fpArgs['useHs'],fpArgs['tgtDensity'],
KeyError: 'minPath'
The same happens when 'fingerprinter' argument is not provided. Other
functions may also have this issue, FoldFingerprintToTargetDensity seems to
be such a case.
Cheers, Max
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