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improve test
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tests/test_fitresults.py

Lines changed: 20 additions & 12 deletions
Original file line numberDiff line numberDiff line change
@@ -147,19 +147,27 @@ def test_get_results_dictionary(build_recipe_one_contribution):
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recipe = build_recipe_one_contribution
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optimize_recipe(recipe)
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results = FitResults(recipe)
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results.print_results()
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actual_results_dict = results.get_results_dictionary()
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expected_metrics = [
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"Residual",
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"Contributions",
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"Restraints",
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"Chi2",
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"Reduced Chi2",
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"Rw",
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]
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for expected_metric in expected_metrics:
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assert expected_metric in actual_results_dict
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for expected_var in expected_refined_variables:
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assert expected_var in actual_results_dict
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expected_results_dict = {
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"amplitude": 1.000000000060171,
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"wave_number": 1.00000000012548,
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"phase_shift": -1.6129114631049646e-18,
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"Residual": 3.3284672708760557e-19,
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"Contributions": 3.3284672708760557e-19,
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"Restraints": 0,
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"Chi2": 3.3284672708760557e-19,
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"Reduced Chi2": 4.7549532441086507e-20,
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"Rw": 2.7196679825449506e-10,
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}
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actual_values = np.round(np.array(list(actual_results_dict.values())), 5)
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actual_keys = set(actual_results_dict.keys())
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expected_values = np.round(
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np.array(list(expected_results_dict.values())), 5
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)
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expected_keys = set(expected_results_dict.keys())
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assert expected_keys == actual_keys
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assert list(expected_values == list(actual_values))
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def test_resultsDictionary(temp_data_files):

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