mordred.RingCount module

class mordred.RingCount.RingCount(order=None, greater=False, fused=False, aromatic=None, hetero=None)[source]

Bases: mordred.RingCount.RingCountBase

ring count descriptor.

Parameters:
  • order (int or None) – number of bonds in ring
  • greater (bool) – count length or greater rings
  • fused (bool) – count fused rings
  • aromatic (bool or None) –
    • True: count aromatic rings
    • False: count non-aromatic rings
    • None: count any rings
  • hetero (bool or None) –
    • True: count hetero rings
    • False: count carbon rings
    • None: count any rings
description()[source]
rtype

alias of 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', 'greater', 'fused', 'aromatic', 'hetero')
require_3D = False
require_connected = False
to_json()

Convert to json serializable dictionary.

Returns:dictionary of descriptor
Return type:dict