mordred.ABCIndex module¶
ABC Index descriptor.
-
class
mordred.ABCIndex.
ABCIndex
[source]¶ Bases:
mordred.ABCIndex.ABCIndexBase
atom-bond connectivity index descriptor.
References
-
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
= ()¶
-
require_3D
= False¶
-
require_connected
= False¶
-
rtype
¶ alias of
builtins.float
-
-
class
mordred.ABCIndex.
ABCGGIndex
[source]¶ Bases:
mordred.ABCIndex.ABCIndexBase
Graovac-Ghorbani atom-bond connectivity index descriptor.
References
Furtula, B. Atom-bond connectivity index versus Graovac-Ghorbani analog. MATCH Commun. Math. Comput. Chem 75, 233-242 (2016).
-
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
= ()¶
-
require_3D
= False¶
-
require_connected
= False¶
-
rtype
¶ alias of
builtins.float