mordred.BaryszMatrix module¶

class mordred.BaryszMatrix.BaryszMatrix(prop='Z', type='SpMax')[source]¶

Bases: mordred.BaryszMatrix.BaryszMatrixBase

barysz matrix descriptor.

Parameters:	prop (str or function) – atomic properties type (str) – Matrix aggregating methods
Returns:	NaN when any properties are NaN

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