Greg Landrum 6615ae5a01 SDMolSupplier: don't throw on errors parsing molecules. This allows the parsing of further mols to continue. ...

Conformer.cpp: make sure we don't ask for space for zero atoms.

Kekulize.cpp: don't complain about marked bonds if we aren't removing markers.

molopstest.cpp: bad smiles corrected in one test.exe

ROMol.cpp, RWMol.cpp: extra preconditions added (should have been there all along)

Wrap/MolOps.cpp: docs for replacesubstructs.

2006-09-18 05:21:39 +00:00

18 KiB

Executable File

Raw Blame History

View Raw