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