mordred.PathCount module

class mordred.PathCount.PathCount(order=1, pi=False, total=False, log=False)[source]

Bases: PathCountBase

path count descriptor.

Parameters:
  • order (int) – path order(number of bonds in path)

  • pi (bool) – calculate pi-path count

  • total (bool) – total path count(1 to order)

  • log (bool) – use log scale

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

Return type.

property config
explicit_hydrogens = False
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', 'pi', 'total', 'log')
require_3D = False
require_connected = False
to_json()

Convert to json serializable dictionary.

Returns:

dictionary of descriptor

Return type:

dict