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')¶
-
config
¶
-
explicit_hydrogens
= True¶
-
classmethod
from_json
(obj)¶ Create Descriptor instance from json dict.
- Parameters
obj (dict) – descriptor dict
- Returns
descriptor
- Return type
-
get_3D_mol
()¶
-
get_parameter_dict
()¶
-
kekulize
= False¶
-
parameter_names
= ('use78',)¶
-
require_3D
= False¶
-
require_connected
= False¶
-
rtype
¶ alias of
builtins.float
-
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')¶
-
config
¶
-
explicit_hydrogens
= True¶
-
classmethod
from_json
(obj)¶ Create Descriptor instance from json dict.
- Parameters
obj (dict) – descriptor dict
- Returns
descriptor
- Return type
-
get_3D_mol
()¶
-
get_parameter_dict
()¶
-
kekulize
= False¶
-
parameter_names
= ('use78',)¶
-
require_3D
= False¶
-
require_connected
= False¶
-
rtype
¶ alias of
builtins.float