Files
rdkit/Code/GraphMol/Aromaticity.cpp
Greg Landrum 452ed7156f Add support for a simplified aromaticity model. (#942)
* first pass

* Fixes #623

* fix a merge problem

* move the aromaticity perception to a helper fn

* python doc update

* replace setSimpleAromaticity() with a parameter to setAromaticity()

* add simple test for the custom aromaticity function
2016-06-17 17:48:20 -04:00

24 KiB