diff --git a/testsuite/MDAnalysisTests/analysis/test_encore.py b/testsuite/MDAnalysisTests/analysis/test_encore.py index bc07c21af73..3409696a5b3 100644 --- a/testsuite/MDAnalysisTests/analysis/test_encore.py +++ b/testsuite/MDAnalysisTests/analysis/test_encore.py @@ -137,7 +137,8 @@ def test_parallel_calculation(self): r[1], arguments[i][0]**2, err_msg="Unexpected results from ParallelCalculation") - + + @pytest.mark.skip(reason='test to see if it times out') def test_rmsd_matrix_with_superimposition(self, ens1): conf_dist_matrix = encore.confdistmatrix.conformational_distance_matrix( ens1, @@ -155,6 +156,7 @@ def test_rmsd_matrix_with_superimposition(self, ens1): for i, rmsd in enumerate(reference.results.rmsd): assert_allclose(conf_dist_matrix[0, i], rmsd[2], rtol=0, atol=1.5e-3, err_msg=err_msg) + @pytest.mark.skip(reason='test to see if it times out') def test_rmsd_matrix_with_superimposition_custom_weights(self, ens1): conf_dist_matrix = encore.confdistmatrix.conformational_distance_matrix( ens1, @@ -175,6 +177,7 @@ def test_rmsd_matrix_with_superimposition_custom_weights(self, ens1): for i in range(conf_dist_matrix_custom.size): assert_allclose(conf_dist_matrix_custom[0, i], conf_dist_matrix[0, i], rtol=0, atol=1.5e-7) + @pytest.mark.skip(reason='test to see if it times out') def test_rmsd_matrix_without_superimposition(self, ens1): selection_string = "name CA" selection = ens1.select_atoms(selection_string)