mordred.WalkCount module

class mordred.WalkCount.WalkCount(order=1, total=False, self_returning=False)[source]

Bases: Descriptor

walk count descriptor.

Parameters:
  • order (int) – walk length

  • total (bool) – sum of walk count over 1 to order

  • self_returning (bool) – use self returning walk only

since = <Version('1.0.0')>
explicit_hydrogens = False
description()[source]
rtype

alias of float

property 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 = ('order', 'total', 'self_returning')
require_3D = False
require_connected = False
to_json()

Convert to json serializable dictionary.

Returns:

dictionary of descriptor

Return type:

dict