Residual

class nexus.Residual(*args)

Abstract class for Residual. Do not use this class directly. A Residual implementation must be derived from this class in Python the following way.

# definition of the derived class
class ResidualDefinedInPython(nx.Residual):
    def __init__(self, id = "my residual implementation"):
    # since version 2.0.0 it must be
    # def __init__(self, id = "my residual implementation", exponent=X):
        super().__init__(id, exponent)

    # implementation of the actual residual function
    def ResidualFunction(self, input_data, input_theory):
        residual = ...
        return residual

        def __init__(self, id = "my residual implementation"):

Changed in version 2.0.0: Exponent must be specified since version 2.0.0

Some residual weight functions are predefined in the library residual.

Parameters:

• id (string) – User identifier.

• exponent (double) –

  Exponent of the residual function. For least square problems it is 2.

  Added in version 2.0.0.

• plot_string (string) –

  String used for .plot() functions in residual plot.

  Added in version 1.0.3.

id

User identifier.

Type:

string

exponent

Exponent of the residual function. For least square problems it is 2.

Added in version 2.0.0.

Type:

double

plot_string

String used for .plot() functions in residual plot.

Added in version 1.0.3.

Type:

string

ResidualFunction(intensity_data, intensity_theory)

Call of the residual function implementation from python.

Returns:

List of residual values of measured and theoretical intensities.

Return type:

list or ndarray

Examples can be found in the Tutorial section.