mordred.PathCount module

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

Bases: mordred.PathCount.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

rtype

** pi = True* – float * pi = False: int

explicit_hydrogens = False

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’, ‘pi’, ‘total’, ‘log’)

require_3D = False

require_connected = False

to_json()

convert to json serializable dictionary.

Returns:dictionary of descriptor Return type:dict