OEGetFPOverlap(const OEChem::OEMolBase &qmol, const OEChem::OEMolBase &tmol,
const OEFPTypeBase *fptype)
Returns an iterator over all unique matches (common fragments) found between two molecules based on the given fingerprint type. This means that these common molecular fragments are mapped into the same bit when fingerprints are generated with the given type.
- qmol, tmol
The two OEMolBase objects from which the fingerprint overlap is generated.
The type of the fingerprint that also stores the parameters that are used when the fingerprint is generated.
Two matches are considered to be equivalent only if they store the same sets of target and pattern atoms and bonds. The correspondence between the pattern and target atoms and bonds are not considered.