Files
rdkit/Code/GraphMol/catch_chirality.cpp
Ricardo Rodriguez e4aea17755 Store CIP-ranked anchors after CIP labeling. (#9056)
* add the _CIPNeighborRanks property

* store CIP-ranked chiral neighbors

* store CIP-ranked SP2 bond and atropisomer anchors

* add a test

* boost headers in test

* add Atom::NOATOM

* add NOATOM test

* amend and clarify implicit H in Tetrahedral

* rename property

* rename property to _CIPNeighborOrder

* deprecate Chirality::StereoInfo::NOATOM
2026-01-30 05:12:46 +01:00

220 KiB