mordred.WalkCount module

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

Bases: mordred._base.descriptor.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
explicit_hydrogens = False
description()[source]
rtype

alias of float

from_json(obj)

Create Descriptor instance from json dict.

Parameters:obj (dict) – descriptor dict
Returns:descriptor
Return type:Descriptor
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