mordred.VertexAdjacencyInformation module¶

class mordred.VertexAdjacencyInformation.VertexAdjacencyInformation[source]¶

Bases: mordred._base.descriptor.Descriptor

vertex adjacency information descriptor.

\[{\rm VAdjMat} = 1 + \log_2(m)\]

where \(m\) is number of heavy-heavy bonds.

Returns: \(m = 0\)

since = StrictVersion ('1.0')¶

description()[source]¶

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: Descriptor

get_3D_mol()¶

get_parameter_dict()¶

kekulize = False¶

parameter_names = ()¶

require_3D = False¶

require_connected = False¶

to_json()¶

Convert to json serializable dictionary.

Returns: dictionary of descriptor
Return type: dict