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20673d4cb800d3bdacfce46ab459dc1847f8fa2c
rdkit/Code/GraphMol/DistGeomHelpers
History
Eisuke Kawashima 77db9ede80 fix doxygen comments (#5254)
2022-07-11 13:55:35 +02:00
..
test_data
DistanceGeometry: add flag to enforce trans amides (#3794)
2021-03-01 13:26:28 +01:00
Wrap
fix: rdkit.Chem.rdDistGeom.EmbedMultipleConfs docstring indentation (#5404)
2022-07-06 06:21:36 +02:00
BoundsMatrixBuilder.cpp
Initial support for non-tetrahedral stereochemistry (#5084)
2022-05-20 09:07:16 +02:00
BoundsMatrixBuilder.h
a few doxygen comment fixes (#4368)
2021-08-09 04:58:01 +02:00
catch_tests.cpp
Initial support for non-tetrahedral stereochemistry (#5084)
2022-05-20 09:07:16 +02:00
CMakeLists.txt
make the catch tests build faster (#5284)
2022-05-17 04:39:33 +02:00
Embedder.cpp
Fixes #5210 (#5408)
2022-07-11 11:20:03 +02:00
Embedder.h
fix doxygen comments (#5254)
2022-07-11 13:55:35 +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
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