mordred.BondCount module

class mordred.BondCount.BondCount(type='any', kekulize=False)[source]

Bases: mordred._base.descriptor.Descriptor

bond count descriptor.

Parameters:
  • type (str) – one of bond_types
  • kekulize (bool) – use kekulized structure
bond_types = ('any', 'heavy', 'single', 'double', 'triple', 'aromatic', 'multiple')
explicit_hydrogens
kekulize
rtype

alias of int

require_3D = False
require_connected = False