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

..

configs

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

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

rules

Make assignCIPLabels Ctrl+c interruptable (#8589)

2025-06-27 08:27:44 +02:00

Wrap

Make assignCIPLabels Ctrl+c interruptable (#8589)

2025-06-27 08:27:44 +02:00

catch_tests.cpp

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

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

CIPLabeler.cpp

implement hasPrimaryLabel (#9052)

2026-01-19 14:53:03 +01:00

CIPLabeler.h

Suppress large amounts of 'BOOST_NO_CXX98_FUNCTION_BASE macro redefined' warnings in clang/emcc builds (#7747)

2025-03-29 20:04:58 +01:00

CIPMol.cpp

Another performance improvement in CIP labelling (#7854)

2024-10-06 05:25:14 +02:00

CIPMol.h

Another performance improvement in CIP labelling (#7854)

2024-10-06 05:25:14 +02:00

CMakeLists.txt

Fix some missing headers when doing "make install" (#7667)

2024-07-25 11:07:03 -04:00

Descriptor.h

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

Digraph.cpp

Simple speed up for CIPLabeler (#7826)

2024-10-01 04:11:03 +02:00

Digraph.h

Suppress large amounts of 'BOOST_NO_CXX98_FUNCTION_BASE macro redefined' warnings in clang/emcc builds (#7747)

2025-03-29 20:04:58 +01:00

Edge.cpp

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

Edge.h

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

Mancude.cpp

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

Mancude.h

Suppress large amounts of 'BOOST_NO_CXX98_FUNCTION_BASE macro redefined' warnings in clang/emcc builds (#7747)

2025-03-29 20:04:58 +01:00

Node.cpp

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

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

Node.h

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

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

Priority.h

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

Sort.cpp

Run clang-tidy (readability-braces-around-statements) (#4977)

2022-03-10 08:00:10 +01:00

Sort.h

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

TooManyNodesException.h

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00