From 03ef1ed7eb945438c2da1bb6b5fca002573723f2 Mon Sep 17 00:00:00 2001 From: IAlibay Date: Mon, 16 Aug 2021 01:59:04 +0100 Subject: [PATCH 1/2] Adds missing timestep equality tests --- .../coordinates/test_timestep_api.py | 17 +++++++++++++++++ 1 file changed, 17 insertions(+) diff --git a/testsuite/MDAnalysisTests/coordinates/test_timestep_api.py b/testsuite/MDAnalysisTests/coordinates/test_timestep_api.py index 83ef123df5b..5d4f033c2d7 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_timestep_api.py +++ b/testsuite/MDAnalysisTests/coordinates/test_timestep_api.py @@ -537,6 +537,13 @@ def test_wrong_pos_equality(self): assert ts1 != ts2 assert ts2 != ts1 + def test_no_pos_inequality(self): + ts1 = self.Timestep(self.size, positions=False) + ts2 = self.Timestep(self.size) + + assert ts1 != ts2 + assert ts2 != ts1 + def test_check_vels_equality(self): ts1 = self.Timestep(self.size, velocities=True) ts2 = self.Timestep(self.size, velocities=True) @@ -595,6 +602,16 @@ def test_check_wrong_forces_equality(self): assert ts1 != ts2 assert ts2 != ts1 + @pytest.mark.parametrize('dim1', [None, [2., 2., 2., 90., 90., 90.]]) + def test_dims_mismatch_inequality(self, dim1): + ts1 = self.Timestep(self.size) + ts1.dimensions = None + ts2 = self.Timestep(self.size) + ts2.dimensions = [1., 1., 1., 90., 90., 90.] + + assert ts1 != ts2 + assert ts2 != ts1 + # TODO: Merge this into generic Reader tests # These tests are all included in BaseReaderTest From 902416750d26cfe251e2a959ab0465369ffcbc4f Mon Sep 17 00:00:00 2001 From: IAlibay Date: Mon, 16 Aug 2021 02:55:47 +0100 Subject: [PATCH 2/2] Actually use parametrize --- testsuite/MDAnalysisTests/coordinates/test_timestep_api.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/testsuite/MDAnalysisTests/coordinates/test_timestep_api.py b/testsuite/MDAnalysisTests/coordinates/test_timestep_api.py index 5d4f033c2d7..077e30e90de 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_timestep_api.py +++ b/testsuite/MDAnalysisTests/coordinates/test_timestep_api.py @@ -605,7 +605,7 @@ def test_check_wrong_forces_equality(self): @pytest.mark.parametrize('dim1', [None, [2., 2., 2., 90., 90., 90.]]) def test_dims_mismatch_inequality(self, dim1): ts1 = self.Timestep(self.size) - ts1.dimensions = None + ts1.dimensions = dim1 ts2 = self.Timestep(self.size) ts2.dimensions = [1., 1., 1., 90., 90., 90.]