mordred.VdwVolumeABC module¶
-
class
mordred.VdwVolumeABC.
VdwVolumeABC
[source]¶ Bases:
mordred._base.descriptor.Descriptor
van der waals volume(ABC) descriptor.
- Returns
NaN when any atoms are non-compat_atoms
- References
-
since
= StrictVersion ('1.0')¶
-
compat_atoms
= ('H', 'C', 'N', 'O', 'F', 'Cl', 'Br', 'P', 'S', 'As', 'B', 'Si', 'Se')¶
-
rtype
¶ alias of
builtins.float
-
config
¶
-
explicit_hydrogens
= True¶
-
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¶