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