mordred.RingCount module

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

Bases: 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

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

alias of int

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

Convert to json serializable dictionary.

Returns:

dictionary of descriptor

Return type:

dict