mordred.WalkCount module

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

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

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