Ricardo Rodriguez a085df44a5 Fix performance issue in PR 7327 (#7391) ...

* use references, skip batch remove if nothing to remove

* fix commitBatchEdit

* reword comment

2024-04-28 06:16:20 +02:00

..

testData

initial support for reading query files. Python wrapper still needs to be done.

2012-12-17 10:28:35 +00:00

catch_tests.cpp

Fixes #7327 (#7328)

2024-04-08 06:12:56 +02:00

ChemTransforms.cpp

Fix performance issue in PR 7327 (#7391)

2024-04-28 06:16:20 +02:00

ChemTransforms.h

RGD and Stereo Groups (#6247)

2023-04-01 07:58:52 +02:00

CMakeLists.txt

Add depiction coordinates to molzip (#5993)

2023-01-28 04:46:39 +01:00

MolFragmenter.cpp

Enhance molzip to properly handle RGroupDecompositions (#7202)

2024-03-19 17:02:45 +01:00

MolFragmenter.h

Enhance molzip to properly handle RGroupDecompositions (#7202)

2024-03-19 17:02:45 +01:00

testChemTransforms.cpp

Fix some build warnings (#6618)

2023-08-11 06:04:55 +02:00