modernize code in ./bin/fasmifra_fragment.py

UnixJunkie / FASMIFRA

Molecular Generation by Fast Assembly of SMILES Fragments

GNU General Public License v3.0

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modernize code in ./bin/fasmifra_fragment.py #21

Closed UnixJunkie closed 4 months ago

UnixJunkie commented 4 months ago

fasmifra_fragment.py:50: DeprecationWarning: The Chem.AtomPairs.Utils.NumPiElectrons is deprecated; please use rdMolDescriptors.GetNumPiElectrons instead. nb_pi_electrons = Pairs.Utils.NumPiElectrons(a)

UnixJunkie commented 4 months ago

done