Source code for mordred.Aromatic

from ._base import Descriptor

__all__ = (
    "AromaticAtomsCount", "AromaticBondsCount",
)


class AromaticBase(Descriptor):
    __slots__ = ()

    @classmethod
    def preset(cls):
        yield cls()

    def __str__(self):
        return self._name

    def parameters(self):
        return ()

    rtype = int


[docs]class AromaticAtomsCount(AromaticBase): r"""aromatic atoms count descriptor.""" __slots__ = () _name = "nAromAtom"
[docs] def description(self): return "aromatic atoms count"
def calculate(self): return sum( 1 for a in self.mol.GetAtoms() if a.GetIsAromatic() )
[docs]class AromaticBondsCount(AromaticBase): r"""aromatic bonds count descriptor.""" __slots__ = () _name = "nAromBond"
[docs] def description(self): return "aromatic bonds count"
def calculate(self): return sum( 1 for b in self.mol.GetBonds() if b.GetIsAromatic() )