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intermediate commit: passing assertion, but may need advice on testing parameters
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src/diffpy/labpdfproc/tests/test_functions.py

Lines changed: 7 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -21,7 +21,10 @@ def test_get_grid_points(inputs, expected):
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params2 = [
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([1, 3, 1, 45], [0, 1.4142135, 1.4142135, 2, 2]),
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([1, 3, 1, 90], [0, 0, 2, 2, 2]),
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([1, 3, 1, 140], [0, 2, 0, 3.532, 1.2855]),
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([1, 3, 1, 120], [0, 0, 2, 3, 1.73205]),
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([1, 4, 1, 30], [2.057347, 2.044451, 1.621801, 1.813330]),
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([1, 4, 1, 90], [1.885618, 1.885618, 2.552285, 1.218951]),
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([1, 4, 1, 140], [1.139021, 2.200102, 2.744909, 1.451264]),
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]
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@@ -30,4 +33,6 @@ def test_set_distances_at_angle(inputs, expected):
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expected_distances = expected
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actual_gs = Gridded_circle(radius=inputs[0], n_points_on_diameter=inputs[1], mu=inputs[2])
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actual_gs.set_distances_at_angle(inputs[3])
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assert actual_gs.distances == pytest.approx(expected_distances, rel=1e-4, abs=1e-6)
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actual_distances_sorted = sorted(actual_gs.distances)
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expected_distances_sorted = sorted(expected_distances)
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assert actual_distances_sorted == pytest.approx(expected_distances_sorted, rel=1e-4, abs=1e-6)

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