MorganFingerprints.init accepts **kwargs (and callers pass many generator options via MorganFingerprintsParams().model_dump()), but those kwargs are currently ignored. As a result, settings like countSimulation, useBondTypes, includeChirality, etc. have no effect when using the MorganFingerprints convenience
def init(
self, radius: int = 2, fpSize: int = 2048, include_chirality: bool = False, use_counts: bool = True, **kwargs
) -> None:
super().init(
"MorganFP",
{
"radius": radius,
"fpSize": fpSize,
"includeChirality": include_chirality,
},
use_counts=use_counts,
)
MorganFingerprints.init accepts **kwargs (and callers pass many generator options via MorganFingerprintsParams().model_dump()), but those kwargs are currently ignored. As a result, settings like countSimulation, useBondTypes, includeChirality, etc. have no effect when using the MorganFingerprints convenience
def init(
self, radius: int = 2, fpSize: int = 2048, include_chirality: bool = False, use_counts: bool = True, **kwargs
) -> None:
super().init(
"MorganFP",
{
"radius": radius,
"fpSize": fpSize,
"includeChirality": include_chirality,
},
use_counts=use_counts,
)