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rdkit/Code/GraphMol/FMCS/FMCS.cpp
Greg Landrum 4001b2ba0e Add the option to match formal charges to FMCS (#1311) 
* very basics of charge checking in

* add the new parameters to the python wrapper. more testing please

* Additional testing.

* update which unittest methods are used
2017-02-28 08:49:28 -05:00

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