Eisuke Kawashima 11532089de Run clang-format against cpp (#4358)

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

..

test_data

DistanceGeometry: add flag to enforce trans amides (#3794)

2021-03-01 13:26:28 +01:00

Wrap

Run clang-format against cpp (#4358)

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

BoundsMatrixBuilder.cpp

add ROMol::atomNeighbors() and ROMol::atomBonds() (#4573)

2021-10-02 07:28:24 +02:00

BoundsMatrixBuilder.h

a few doxygen comment fixes (#4368)

2021-08-09 04:58:01 +02:00

catch_tests.cpp

Fixes #4346 : trans bonds are now properly honored in macrocycles (#4355)

2021-07-23 20:30:33 +02:00

CMakeLists.txt

MinimalLib: add CFFI interface (#4018)

2021-04-15 21:33:52 +02:00

Embedder.cpp

Add custom distance bounds parameter for ETKDG conformer generation (#4516)

2021-09-16 12:32:10 +02:00

Embedder.h

Run clang-format against cpp (#4358)

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

EmbedderUtils.cpp

Add custom distance bounds parameter for ETKDG conformer generation (#4516)

2021-09-16 12:32:10 +02:00

testDgeomHelpers.cpp

Swap from RDUNUSED_PARAM to unnamed parameters (#4433)

2021-08-24 17:19:46 -04:00