mordred.MolecularDistanceEdge module¶
-
class
mordred.MolecularDistanceEdge.
MolecularDistanceEdge
(valence1=1, valence2=1, element='C')[source]¶ Bases:
mordred._base.descriptor.Descriptor
molecular distance edge descriptor.
- Parameters
- Returns
NaN when \(N_{\rm MDE} = 0\)
-
since
= StrictVersion ('1.0')¶
-
explicit_hydrogens
= False¶
-
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
= ('valence1', 'valence2', 'element')¶
-
require_3D
= False¶
-
require_connected
= False¶
-
rtype
¶ alias of
builtins.float