mordred.BondCount module

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

Bases: mordred._base.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

gasteiger_charges = False

kekulize

require_connected = False

rtype

alias of int