mordred.WalkCount module

class mordred.WalkCount.WalkCount(order=1, total=False, self_returning=False)[source]

Bases: mordred._base.descriptor.Descriptor

walk count descriptor.

Parameters:
  • order (int) – walk length
  • total (bool) – sum of walk count over 1 to order
  • self_returning (bool) – use self returning walk only
explicit_hydrogens = False
parameters()[source]
rtype

alias of float

as_argument

argument representation of descriptor

coord

get 3D coordinate

fail(exception)

raise known exception and return missing value

kekulize = False
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