Error while calculating Basak information

gadsbyfly / PyBioMed

machine learning, molecular descriptor

BSD 3-Clause "New" or "Revised" License

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Open omkarfirame opened 4 years ago

omkarfirame commented 4 years ago

TypeError: '<' not supported between instances of 'list' and 'int'

getting Type error while calculating Basak information

joseias commented 4 years ago

Seems to be due line 151 in /PyBioMed/PyMolecule/basak.py

current: temp.append(at.GetAtomicNum()) solution tested: temp.append( [ at.GetAtomicNum() ] )

danielmuthama commented 4 years ago

I encountered the same problem, It could be better if the issue was resolve. Anyone who may have some clue?