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rdkit/Code/GraphMol/MolTransforms
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David Cosgrove d54d0c5a10 CanonicalizeConformer inverts structure (#8734) 
* Different test for possible coords inversion.

* Typo.

* Comment in test.

---------

Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
2025-08-27 17:12:08 +02:00
..
test_data
Fix inversion of stereo with canonicalizeConformer (#7878)
2024-10-10 09:57:39 -04:00
testExecs
Unset executable flag
2019-10-10 20:18:43 +09:00
Wrap
Add Python modules to generate stubs and automatically patch docstrings (#6919)
2023-11-30 04:54:18 +01:00
catch_tests.cpp
CanonicalizeConformer inverts structure (#8734)
2025-08-27 17:12:08 +02:00
CMakeLists.txt
Fix inversion of stereo with canonicalizeConformer (#7878)
2024-10-10 09:57:39 -04:00
MolTransforms.cpp
CanonicalizeConformer inverts structure (#8734)
2025-08-27 17:12:08 +02:00
MolTransforms.h
a few doxygen comment fixes (#4368)
2021-08-09 04:58:01 +02:00
ReadMe
Unset executable flag
2019-10-10 20:18:43 +09:00
test1.cpp
Fix inversion of stereo with canonicalizeConformer (#7878)
2024-10-10 09:57:39 -04:00

ReadMe 

These are files for doing geometric transformations (rotation,
scaling, etc.) on molecules.
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