mordred.BaryszMatrix module

class mordred.BaryszMatrix.BaryszMatrix(prop=’Z’, type=’SpMax’)

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

rtype

alias of float

explicit_hydrogens = False

from_json(obj)

create Descriptor instance from json dict.

Parameters:obj (dict) – descriptor dict Returns:descriptor Return type:Descriptor

get_parameter_dict()

kekulize = False

parameter_names = (‘prop’, ‘type’)

require_3D = False

require_connected = False

to_json()

convert to json serializable dictionary.

Returns:dictionary of descriptor Return type:dict