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rdkit/Code/GraphMol/DistGeomHelpers
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Greg Landrum c69a20d9f6 strip whitespace from embedParametersToJSON() (#8989) 
* strip whitespace from embedParametersToJSON()

* update expected results in python tests

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Co-authored-by: = <=>
2025-12-30 07:06:45 +01:00
..
test_data
Fix grad scaling (#8791)
2025-09-21 18:19:50 +02:00
Wrap
strip whitespace from embedParametersToJSON() (#8989)
2025-12-30 07:06:45 +01:00
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
strip whitespace from embedParametersToJSON() (#8989)
2025-12-30 07:06:45 +01:00
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
Embed Parameters to JSON (#8977)
2025-12-30 07:05:11 +01:00
EmbedderUtils.cpp
strip whitespace from embedParametersToJSON() (#8989)
2025-12-30 07:06:45 +01:00
testDgeomHelpers.cpp
Refactor iostreams includes (#8846)
2025-10-31 13:42:16 +01:00