Gareth Jones 8e9adcd467 Adds some features to the C# SWIG wrappers (#9274)

2026-05-14 09:07:56 +02:00

..

AcidBaseCatalog

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

FragmentCatalog

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

TautomerCatalog

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

test_data

Fix oxidation numbers calculation (#6266)

2023-04-03 09:55:59 +02:00

TransformCatalog

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

Wrap

Speed-up tautomer canonicalization, no API changes (#9134)

2026-03-31 06:42:40 +02:00

catch_tests.cpp

Speed-up tautomer canonicalization, no API changes (#9134)

2026-03-31 06:42:40 +02:00

Charge.cpp

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

Charge.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

CMakeLists.txt

Moving towards getting all tests to pass when using the new stereo code (#8409)

2025-04-15 14:00:32 +02:00

Fragment.cpp

Remove Descriptors as a dependency of many other RDKit libraries (#7700)

2024-08-13 13:22:43 +02:00

Fragment.h

Add in place and multithread support for more of the MolStandardize code (#6970)

2023-12-12 17:21:18 +01:00

Metal.cpp

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

Metal.h

Add an in place version of most of the MolStandardize functionality (#6491)

2023-07-21 08:44:41 +02:00

MolStandardize.cpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

MolStandardize.h

Add in place and multithread support for more of the MolStandardize code (#6970)

2023-12-12 17:21:18 +01:00

Normalize.cpp

atropisomer handling added (#6903)

2023-12-22 04:58:18 +01:00

Normalize.h

Add an in place version of most of the MolStandardize functionality (#6491)

2023-07-21 08:44:41 +02:00

Pipeline.cpp

refactor MolStandardize::PipelineOptions::allowEmptyMolecules (#7699)

2024-08-13 15:33:13 +02:00

Pipeline.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

Tautomer.cpp

Speed-up tautomer canonicalization, no API changes (#9134)

2026-03-31 06:42:40 +02:00

Tautomer.h

Adds some features to the C# SWIG wrappers (#9274)

2026-05-14 09:07:56 +02:00

test1.cpp

Follow up to PR #8968 (#9168)

2026-03-20 04:28:17 +01:00

test2.cpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

testCharge.cpp

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

testFragment.cpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

testNormalize.cpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

testPCS.cpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

testPipeline.cpp

Moving towards getting all tests to pass when using the new stereo code (#8409)

2025-04-15 14:00:32 +02:00

testTautomer.cpp

Speed-up tautomer canonicalization, no API changes (#9134)

2026-03-31 06:42:40 +02:00

testValidate.cpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

Validate.cpp

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00

Validate.h

Refactor iostreams includes (#8846)

2025-10-08 16:08:01 +02:00