|
| 1 | +import re |
| 2 | + |
1 | 3 | import numpy as np
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2 | 4 | import pytest
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3 | 5 |
|
4 |
| -from diffpy.labpdfproc.functions import Gridded_circle, apply_corr, compute_cve |
| 6 | +from diffpy.labpdfproc.functions import CVE_METHODS, Gridded_circle, apply_corr, compute_cve |
5 | 7 | from diffpy.utils.scattering_objects.diffraction_objects import Diffraction_object
|
6 | 8 |
|
7 | 9 | params1 = [
|
@@ -85,6 +87,30 @@ def test_compute_cve(mocker):
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85 | 87 | assert actual_cve_do == expected_cve_do
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86 | 88 |
|
87 | 89 |
|
| 90 | +params_cve_bad = [ |
| 91 | + ( |
| 92 | + [7, "polynomial_interpolation"], |
| 93 | + [ |
| 94 | + f"mu*D is out of the acceptable range (0.5 to 6) for polynomial interpolation. " |
| 95 | + f"Please rerun with a value within this range or specifying another method from {* CVE_METHODS, }." |
| 96 | + ], |
| 97 | + ), |
| 98 | + ([1, "invalid_method"], [f"Unknown method: invalid_method. Allowed methods are {*CVE_METHODS, }."]), |
| 99 | + ([7, "invalid_method"], [f"Unknown method: invalid_method. Allowed methods are {*CVE_METHODS, }."]), |
| 100 | +] |
| 101 | + |
| 102 | + |
| 103 | +@pytest.mark.parametrize("inputs, msg", params_cve_bad) |
| 104 | +def test_compute_cve_bad(mocker, inputs, msg): |
| 105 | + xarray, yarray = np.array([90, 90.1, 90.2]), np.array([2, 2, 2]) |
| 106 | + expected_cve = np.array([0.5, 0.5, 0.5]) |
| 107 | + mocker.patch("diffpy.labpdfproc.functions.TTH_GRID", xarray) |
| 108 | + mocker.patch("numpy.interp", return_value=expected_cve) |
| 109 | + input_pattern = _instantiate_test_do(xarray, yarray) |
| 110 | + with pytest.raises(ValueError, match=re.escape(msg[0])): |
| 111 | + compute_cve(input_pattern, mud=inputs[0], method=inputs[1]) |
| 112 | + |
| 113 | + |
88 | 114 | def test_apply_corr(mocker):
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89 | 115 | xarray, yarray = np.array([90, 90.1, 90.2]), np.array([2, 2, 2])
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90 | 116 | expected_cve = np.array([0.5, 0.5, 0.5])
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