mordred.GravitationalIndex module

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

Bases: mordred._base.descriptor.Descriptor

since = StrictVersion ('1.0')

description()

require_3D = True

explicit_hydrogens

bool(x) -> bool

Returns True when the argument x is true, False otherwise. The builtins True and False are the only two instances of the class bool. The class bool is a subclass of the class int, and cannot be subclassed.

rtype

alias of builtins.float

config

classmethod from_json(obj)

Create Descriptor instance from json dict.

Parameters

obj (dict) – descriptor dict

Returns

descriptor

Return type

Descriptor

get_3D_mol()

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