Files
rdkit/Code/GraphMol/MolStandardize/Normalize.cpp
Paolo Tosco 810ea846a5 A few improvements to MolStandardize::Normalizer (#3455)
* - use ROMOL_SPTR consistently (cosmetic change)
- allow using multiple alternative normalization patterns that match the same functional groups
- add NormalizerFromParams factory method (Python wrappers)
- add missing parameter to NormalizerFromData factory method (Python wrappers)

* C++ is not Python
2020-10-03 16:19:47 +02:00

6.3 KiB