Source code for mordred.PBF

from rdkit.Chem.rdMolDescriptors import CalcPBF

from ._base import Descriptor

__all__ = ("PBF",)


[docs] class PBF(Descriptor): r"""PBF descriptor.""" __slots__ = () since = "1.1.2" require_3D = True @classmethod def preset(cls, version): yield cls()
[docs] def description(self): return self.__class__.__name__
def __str__(self): return self.__class__.__name__ def parameters(self): return () def calculate(self): return CalcPBF(self.get_3D_mol()) rtype = float