mordred.Polarizability module¶

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

Bases: PolarizabilityBase

atomic polarizability descriptor.

Parameters:: use78 (bool) – use old atomic polarizability data

since = <Version('1.0.0')>¶

description()[source]¶

property 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 float

to_json()¶

Convert to json serializable dictionary.

Returns:: dictionary of descriptor
Return type:: dict

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

Bases: PolarizabilityBase

bond polarizability descriptor.

Parameters:: use78 (bool) – use old atomic polarizability data

since = <Version('1.0.0')>¶

description()[source]¶

property 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 float

to_json()¶

Convert to json serializable dictionary.

Returns:: dictionary of descriptor
Return type:: dict