pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-04 21:54:27 +08:00
Code Issues Packages Projects Releases Wiki Activity
Files
73b4da2a44a297758def89dd4f9eda8cf0b4e907
rdkit/Code/GraphMol/CIPLabeler
History
tadhurst-cdd 73b4da2a44 New tests for specical query atoms and atropisomers (#7010) 
* New tests for speical query atoms and atropisomers

* fixed error, and used unique_ptrs

* Removed test that makes GraphMol depend on GenericGroups

* More to remove GraphMol dependency on GenericGroups
2024-01-11 05:54:14 +01:00
..
configs
atropisomer handling added (#6903)
2023-12-22 04:58:18 +01:00
rules
Reformat C/C++ code ahead of 2023.03 release (#6295)
2023-04-28 04:42:35 +02:00
Wrap
New tests for specical query atoms and atropisomers (#7010)
2024-01-11 05:54:14 +01:00
catch_tests.cpp
atropisomer handling added (#6903)
2023-12-22 04:58:18 +01:00
CIPLabeler.cpp
atropisomer handling added (#6903)
2023-12-22 04:58:18 +01:00
CIPLabeler.h
Reformat C/C++ code ahead of 2023.03 release (#6295)
2023-04-28 04:42:35 +02:00
CIPMol.cpp
atropisomer handling added (#6903)
2023-12-22 04:58:18 +01:00
CIPMol.h
Run clang-format against header files (#4143)
2021-06-08 07:57:51 +02:00
CMakeLists.txt
atropisomer handling added (#6903)
2023-12-22 04:58:18 +01:00
Descriptor.h
Run clang-format against header files (#4143)
2021-06-08 07:57:51 +02:00
Digraph.cpp
atropisomer handling added (#6903)
2023-12-22 04:58:18 +01:00
Digraph.h
atropisomer handling added (#6903)
2023-12-22 04:58:18 +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
Run clang-format against header files (#4143)
2021-06-08 07:57:51 +02:00
Node.cpp
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
Node.h
Run clang-format against header files (#4143)
2021-06-08 07:57:51 +02:00
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