OEMakeFPΒΆ

bool OEMakeFP(OEFingerPrint &fp, const OEChem::OEMolBase &mol,
              unsigned int fptype)

Generates a fingerprint from the given molecule.

fp
The OEFingerPrint object that is being initialized.
mol
The OEMolBase object from which the fingerprint is generated.
fptype
The type of the fingerprint. This value has to be from the OEFPType namespace.
bool OEMakeFP(OEFingerPrint &fp, const OEChem::OEMolBase &mol,
              const OEFPTypeBase *fptype)

Generates a fingerprint from the given molecule.

fp
The OEFingerPrint object that is being initialized.
mol
The OEMolBase object from which the fingerprint is generated.
fptype
The type of the fingerprint specified by an OEFPTypeBase pointer.

Note

For an empty molecule, both OEMakeFP function will return false and the type of the fingerprint will be set to 0 (OEFingerPrint.GetFPTypeBase).