mordred.Aromatic module

class mordred.Aromatic.AromaticAtomsCount

Bases: mordred.Aromatic.AromaticBase

aromatic atoms count descriptor.

explicit_hydrogens = True

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 = ()

require_3D = False

require_connected = False

rtype

alias of int

to_json()

Convert to json serializable dictionary.

Returns:dictionary of descriptor Return type:dict

class mordred.Aromatic.AromaticBondsCount

Bases: mordred.Aromatic.AromaticBase

aromatic bonds count descriptor.

explicit_hydrogens = True

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 = ()

require_3D = False

require_connected = False

rtype

alias of int

to_json()

Convert to json serializable dictionary.

Returns:dictionary of descriptor Return type:dict