OEMakeMACCS166FP
OEMakeMACCS166FP(fp: OEFingerPrint,
mol: Union[OEGraphMol,OEMol,OEQMol]) -> bool
Generates the OEFingerPrint object as a MACCS fingerprint.
- fp
The OEFingerPrint object that is being initialized.
- mol
The OEMolBase object from which the fingerprint is generated. Aromaticity must be perceived before calling this function (e.g. via
OEAssignAromaticFlags).
Note
For an empty molecule, the OEMakeMACCS166FP
function will return false and the type of the fingerprint
will be set to 0
(OEFingerPrint.GetFPTypeBase).
See also
MACCS section