mordred.PathCount module¶

class mordred.PathCount.PathCount(order=1, pi=False, total=False, log=False)[source]¶

Bases: mordred.PathCount.PathCountBase

path count descriptor.

Parameters:	order (int) – path order(number of bonds in path) pi (bool) – calculate pi-path count total (bool) – total path count(1 to order) log (bool) – use log scale

parameters()[source]¶

rtype¶

• pi = True: float
• pi = False: int

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

explicit_hydrogens = False¶

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