Greg Landrum c2e48f41d8 Stop writing so many atom properties to cxsmiles (#9002) ...

* fix a bug in copySelectedAtomsAndBonds()
we need to clear computed properties on the atoms here

* prune back the atom properties written to CXSMILES

* update minimallib tests

2025-12-13 04:35:57 +01:00

..

CMakeLists.txt

Add some more comprehensive R-Group Decomposition tests (#3778)

2021-02-05 10:35:32 +01:00

rdRGroupComposition.cpp

Allow Multiple Core Hits in the Same Molecule in RGroupDecomposition (#8813)

2025-10-29 21:50:19 +01:00

test_rgroups.py

Stop writing so many atom properties to cxsmiles (#9002)

2025-12-13 04:35:57 +01:00