Ricardo Rodriguez 86902488e9 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

2026-01-29 18:23:44 +01:00

..

Wrap

Return original molecule from StereoisomerEnumerator when no unspecified stereocenters are available (#8924)

2025-11-11 17:05:30 +01:00

catch_tests.cpp

Fixes the problems with wiggly bonds and EnumerateStereoisomers from #8508 (#8598)

2025-06-25 09:25:11 +02:00

CMakeLists.txt

Cpp enumerate stereoisomers (#8563)

2025-06-05 08:29:54 +02:00

EnumerateStereoisomers.cpp

Return original molecule from StereoisomerEnumerator when no unspecified stereocenters are available (#8924)

2025-11-11 17:05:30 +01:00

EnumerateStereoisomers.h

Cpp enumerate stereoisomers (#8563)

2025-06-05 08:29:54 +02:00

Flippers.cpp

Store CIP-ranked anchors after CIP labeling. (#9056)

2026-01-29 18:23:44 +01:00

Flippers.h

Cpp enumerate stereoisomers (#8563)

2025-06-05 08:29:54 +02:00