Function test_rfactor_compute_fail

pyxrf/core/tests/test_fitting.py:162–210

r""" Function rfactor_compute. Test the cases that will cause the function to fail.

()

def test_rfactor_compute_fail():
    r"""
    Function rfactor_compute. Test the cases that will cause the function to fail.
    """

    n_pts, n_refs, n_spec = 100, 5, 3

    # There will be no computations performed, so all zeros are good enough
    ref_spectra = np.zeros(shape=[n_pts, n_refs])
    fit_results = np.zeros(shape=[n_refs])
    spectrum = np.zeros(shape=[n_pts])

    fit_results_2D = np.zeros(shape=[n_refs, n_spec])
    spectrum_2D = np.zeros(shape=[n_pts, n_spec])

    # For testing of wrong dimensionality of the arrays, otherwise
    #   those are meaningless arrays
    ref_spectra_3D = np.zeros(shape=[n_pts, n_refs, n_refs])
    spectrum_3D = np.zeros(shape=[n_pts, n_spec, n_spec])

    # Wrong dimensions of parameter 'spectrum'
    with pytest.raises(AssertionError, match="spectrum' must be 1D or 2D array"):
        rfactor_compute(spectrum_3D, fit_results, ref_spectra)

    # No match between dimensions of 'spectrum' and 'fit_results' dimensionality
    with pytest.raises(
        AssertionError, match="Spectrum data .+ and fitting results .+ must have the same number of dimensions"
    ):
        rfactor_compute(spectrum, fit_results_2D, ref_spectra)

    # Wrong dimensions of parameter 'ref_spectra'
    with pytest.raises(AssertionError, match="'ref_spectra' must be 2D array"):
        rfactor_compute(spectrum, fit_results, ref_spectra_3D)

    # Mismatch between the number of data points
    with pytest.raises(AssertionError, match="must have the same number of data points"):
        rfactor_compute(np.delete(spectrum, -1), fit_results, ref_spectra)
    with pytest.raises(AssertionError, match="must have the same number of data points"):
        rfactor_compute(np.delete(spectrum_2D, -1, axis=0), fit_results_2D, ref_spectra)

    # Mismatch between the number of spectrum points
    with pytest.raises(AssertionError, match="must have the same number of spectrum points"):
        rfactor_compute(spectrum, np.delete(fit_results, -1), ref_spectra)
    with pytest.raises(AssertionError, match="must have the same number of spectrum points"):
        rfactor_compute(spectrum_2D, np.delete(fit_results_2D, -1, axis=0), ref_spectra)

    # Mismatch between the number of columns in 'fit_results' and 'spectrum'
    with pytest.raises(AssertionError, match="must have the same number of columns"):
        rfactor_compute(spectrum_2D, np.delete(fit_results_2D, -1, axis=1), ref_spectra)


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