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