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¶

parameters()[source]¶

kekulize¶

rtype¶

alias of int

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

fail(exception)¶

raise known exception and return missing value

mol¶

get molecule

require_3D = False¶

require_connected = False¶

rethrow_na(exception)¶

treat any exceptions as known exception

rethrow_zerodiv()¶

treat zero div as known exception