mordred.RingCount module

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

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

since = StrictVersion ('1.0')

description()

rtype

alias of builtins.int

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