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rdkit/Code/GraphMol/DistGeomHelpers
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tadhurst-cdd f00a8cbb4c ScsrHbondMrvError (#8646) 
* fix MRV for Hbonds

* add test file

* add test file

* enforce chirality in DistGeom catch test

* Added test for correct hbond retention

* removed debug print statement

* retrigger checks

* testing  java AromaticTests

* testing java aromaticTests

* removed testing code
2025-09-29 17:30:50 +02:00
..
test_data
Fix grad scaling (#8791)
2025-09-21 18:19:50 +02:00
Wrap
expose exceeded timeout (#8816)
2025-09-25 14:07:43 +02:00
BoundsMatrixBuilder.cpp
Fixes #8559 (#8560)
2025-06-06 15:30:07 +02:00
BoundsMatrixBuilder.h
a few doxygen comment fixes (#4368)
2021-08-09 04:58:01 +02:00
catch_tests.cpp
ScsrHbondMrvError (#8646)
2025-09-29 17:30:50 +02:00
CMakeLists.txt
add option to symmetrize conjugated terminal groups when RMS pruning conformers (#7270)
2024-03-19 04:38:29 +01:00
Embedder.cpp
Fix ETKDG double bond check from #8518 (#8528)
2025-05-19 14:28:15 +02:00
Embedder.h
Change default ETversion. (#8414)
2025-05-14 07:42:48 +02:00
EmbedderUtils.cpp
Conformer embedding timeout (#8110)
2025-01-13 10:08:25 +01:00
testDgeomHelpers.cpp
Fix grad scaling (#8791)
2025-09-21 18:19:50 +02:00