Beispiel #1
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def test_signal_size():
    spectrum = np.array([5.0, 4.0, 3.0, 2.0, 2.0, 1.0, 1.0, 1.0, 0.0, 0.0])
    ri = ReducedIntensity1D(spectrum)
    pdfgen = PDFGenerator1D(ri)
    pdf = pdfgen.get_pdf(s_min=0, s_max=10)
    assert isinstance(pdf, PairDistributionFunction1D)

    ri = ReducedIntensity1D([spectrum])
    pdfgen = PDFGenerator1D(ri)
    pdf = pdfgen.get_pdf(s_min=0, s_max=10)
    assert isinstance(pdf, PairDistributionFunction1D)

    ri = ReducedIntensity1D([[spectrum]])
    pdfgen = PDFGenerator1D(ri)
    pdf = pdfgen.get_pdf(s_min=0, s_max=10)
    assert isinstance(pdf, PairDistributionFunction1D)

    ri = ReducedIntensity1D([[[spectrum]]])
    pdfgen = PDFGenerator1D(ri)
    pdf = pdfgen.get_pdf(s_min=0, s_max=10)
    shape = pdf.data.shape
    assert shape == (1, 1, 1, 2000)

    ri = ReducedIntensity1D([[[spectrum]]])
    pdfgen = PDFGenerator1D(ri)
    pdf = pdfgen.get_pdf(s_min=0, s_max=10, r_min=0, r_max=8)
    shape = pdf.data.shape
    assert shape == (1, 1, 1, 800)
Beispiel #2
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def test_s_limit_failure(reduced_intensity1d):
    pdfgen = PDFGenerator1D(reduced_intensity1d)

    with pytest.raises(
            ValueError,
            match="User specified s_max is larger than the maximum"):
        pdf3 = pdfgen.get_pdf(s_min=0, s_max=15)
Beispiel #3
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def test_get_pdf(reduced_intensity1d):
    pdfgen = PDFGenerator1D(reduced_intensity1d)
    pdf = pdfgen.get_pdf(s_min=0, s_max=9)
    assert isinstance(pdf, PairDistributionFunction1D)
Beispiel #4
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def test_s_limits(reduced_intensity1d):
    pdfgen = PDFGenerator1D(reduced_intensity1d)
    pdf = pdfgen.get_pdf(s_min=0)
    pdf2 = pdfgen.get_pdf(s_min=0, s_max=10)
    assert np.array_equal(pdf.data, pdf2.data)
Beispiel #5
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def test_pdf_gen_init(reduced_intensity1d):
    pdfgen = PDFGenerator1D(reduced_intensity1d)
    assert isinstance(pdfgen, PDFGenerator1D)