mordred.Chi module¶

class mordred.Chi.Chi(type='path', order=0, prop='d', averaged=False)[source]¶

Bases: mordred.Chi.ChiBase

chi descriptor.

Parameters:	type (str) – one of chi_types prop (str or function) – atomic properties averaged (bool) – averaged by number of subgraphs
Returns:	NaN when any atomic properties <= 0 averaged and \(N_{\chi} = 0\)

chi_types = ('path', 'cluster', 'path_cluster', 'chain')¶

parameters()[source]¶

rtype¶

alias of float

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