OEMol2Query¶
bool OEMol2Query(OEShape::OEShapeQuery &query, const OEChem::OEMolBase& mol,
const OEShape::OEColorForceField& cff)
Method creates a OEShapeQuery from the input
OEMolBase. The specified OEColorForceField
is used to generate the color atoms during the query generation process.
Method returns True
for successful query generation.