OESystem::OEIterBase<OEChem::OEAtomBondSet> * OEGetFPCoverage(const OEChem::OEMolBase &mol, const OEFPTypeBase *fptype, bool unique=false)
Returns an iterator over the fragments that are generated when a fingerprint is constructed.
OEMolBaseobjects from which the fingerprint fragments are generated.
The type of the fingerprint that also stores the parameters that are used when the fingerprint is generated.
If true, then the
OEGetFPCoveragefunction returns only unique fragments. A fragment (i.e. a subgraph) is considered unique if it differs from all other subgraphs identified previously by at least one atom or bond.