mordred.TopologicalCharge module¶
-
class
mordred.TopologicalCharge.
TopologicalCharge
(type='global', order=10)[source]¶ Bases:
mordred._base.descriptor.Descriptor
topological charge descriptor.
- Parameters
- References
-
since
= StrictVersion ('1.0')¶
-
explicit_hydrogens
= False¶
-
tc_types
= ('global', 'mean', 'raw')¶
-
rtype
¶ alias of
builtins.float
-
config
¶
-
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
= ('type', 'order')¶
-
require_3D
= False¶
-
require_connected
= False¶