Source code for harbor.descriptors.fingerprints
[docs]
def get_fp(mol, bit_size=2048, radius=2):
from openeye import oegraphsim
fp = oegraphsim.OEFingerPrint()
oegraphsim.OEMakeCircularFP(
fp,
mol,
bit_size,
0,
radius,
oegraphsim.OEFPAtomType_DefaultCircularAtom,
oegraphsim.OEFPBondType_DefaultCircularBond,
)
return fp