Files
rdkit/Code/GraphMol/Subset.cpp
Brian Kelley 36f061efb1 Don't silently ignore missing or extra atoms/bonds in copyMolSubset (#9089)
* Don't silent ignore missing atoms (and replace them with atom #0) in copymolsubet

* Fail if explicitly set atoms/bonds are not present

* Add tests

* Simplify optimization (copy whole molecule) add test for no bonds
2026-02-06 06:48:05 +01:00

12 KiB