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Added test (test_group_selections_outside_atomgroup, line 516)
Test fails prior to fix to Issue #2797 (addressed in PR #5366) and passes after. Test replicates case (in "Code to reproduce behaviour") in Issue #2797. Expected values for test case are saved in fixture. correct_values_alphacarbons_group (line 197).
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testsuite/MDAnalysisTests/analysis/test_rms.py

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@@ -194,6 +194,10 @@ def correct_values_group(self):
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def correct_values_backbone_group(self):
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return [[0, 1, 0, 0, 0], [49, 50, 4.6997, 1.9154, 2.7139]]
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@pytest.fixture()
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def correct_values_alphacarbons_group(self):
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return [[0, 1, 0, 0], [49, 50, 1.6521, 1.6371]]
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def test_rmsd(self, universe, correct_values, client_RMSD):
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# client_RMSD is defined in testsuite/analysis/conftest.py
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# among with other testing fixtures. During testing, it will

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