mordred.ZagrebIndex module¶
-
class
mordred.ZagrebIndex.
ZagrebIndex
(version=1, variable=1)[source]¶ Bases:
mordred._base.descriptor.Descriptor
Zagreb index descriptor.
\[ \begin{align}\begin{aligned}{}^\lambda M_1 = \sum_{atoms} d_i^\lambda\\{}^\lambda M_2 = \sum_{edges} \left(d_i \cdot d_j \right)^\lambda\end{aligned}\end{align} \]where \(d_i\) is degree of i-th atom
- Parameters
- Returns
NaN when valence of any atoms are 0
-
since
= StrictVersion ('1.0')¶
-
explicit_hydrogens
= False¶
-
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
= ('version', 'variable')¶
-
require_3D
= False¶
-
require_connected
= False¶