mordred.Polarizability module

class mordred.Polarizability.APol(use78=False)[source]

Bases: mordred.Polarizability.PolarizabilityBase

atomic polarizability descriptor.

Parameters

use78 (bool) – use old atomic polarizability data

since = StrictVersion ('1.0')
description()[source]
config
explicit_hydrogens = True
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 = ('use78',)
require_3D = False
require_connected = False
rtype

alias of builtins.float

to_json()

Convert to json serializable dictionary.

Returns

dictionary of descriptor

Return type

dict

class mordred.Polarizability.BPol(use78=False)[source]

Bases: mordred.Polarizability.PolarizabilityBase

bond polarizability descriptor.

Parameters

use78 (bool) – use old atomic polarizability data

since = StrictVersion ('1.0')
description()[source]
config
explicit_hydrogens = True
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 = ('use78',)
require_3D = False
require_connected = False
rtype

alias of builtins.float

to_json()

Convert to json serializable dictionary.

Returns

dictionary of descriptor

Return type

dict