OEGetFPCoverage¶
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.
- mol
The OEMolBase objects from which the fingerprint fragments are generated.
- fptype
The type of the fingerprint that also stores the parameters that are used when the fingerprint is generated.
- unique
If true, then the
OEGetFPCoverage
function 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.
Note
The OEGetFPCoverage
function is not
available for the OEFPType_Lingo
fingerprint type.
See also
Fingerprint Coverage chapter
OEGetFPOverlap
functionOEGetFPPatterns
function