Update test_encore.py

yuxuanzhuang · May 1, 2024 · ad69819 · ad69819
1 parent 45fb664
commit ad69819
Showing 1 changed file with 4 additions and 1 deletion.
diff --git 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)