mordred.MolecularId module¶
-
class
mordred.MolecularId.
MolecularId
(type='any', averaged=False, _eps=1e-10)[source]¶ Bases:
mordred.MolecularId.MolecularIdBase
molecular id descriptor.
- Parameters
-
since
= StrictVersion ('1.0')¶
-
config
¶
-
explicit_hydrogens
= False¶
-
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', 'averaged', '_eps')¶
-
require_3D
= False¶
-
require_connected
= True¶
-
to_json
()¶ Convert to json serializable dictionary.
- Returns
dictionary of descriptor
- Return type
-
rtype
¶ alias of
builtins.float