mordred.GravitationalIndex module

class mordred.GravitationalIndex.GravitationalIndex(heavy=True, pair=False)

Bases: mordred._base.descriptor.Descriptor

require_3D = True

explicit_hydrogens

rtype

alias of float

from_json(obj)

create Descriptor instance from json dict.

Parameters:obj (dict) – descriptor dict Returns:descriptor Return type:Descriptor

get_parameter_dict()

kekulize = False

parameter_names = (‘heavy’, ‘pair’)

require_connected = False

to_json()

convert to json serializable dictionary.

Returns:dictionary of descriptor Return type:dict