Files
rdkit/Code/GraphMol/RascalMCES/RascalMCES.cpp
David Cosgrove d44758ee5e Rascal match exact atom type (#7673)
* New option - exactAtomTypeMatch.

* Python wrapper.

* REQUIRE(res.size()) not CHECK.  If it fails, you get seg fault on subsequent tests otherwise.

* Change option name.
2024-09-16 04:45:18 +02:00

42 KiB