Files
rdkit/Code
Greg Landrum 506ae022ae move GetAtomSmiles/GetAtomSmarts/GetBondSmiles/GetBondSmarts into separate namespaces;
a couple of little hacks to cleanup the smiles produced from a substructure query (not guaranteed to be correct, but better);
additional internal consistency checks;
stop throwing an exception from inside the smarts parser... that just screws up later parses (this should be fixed!);
better cleanup from failed parsing;
2007-08-04 05:11:27 +00:00
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