Fix tests

wehs7661 · Oct 7, 2024 · c39916c · c39916c
1 parent 8ccb59d
commit c39916c
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Showing 2 changed files with 3 additions and 5 deletions.
diff --git a/ensemble_md/tests/test_coordinate_swap.py b/ensemble_md/tests/test_coordinate_swap.py
@@ -238,9 +238,7 @@ def test_dummy_real_swap():
     test_file = open('test_dummy_real_swap.gro', 'w')
     df = pd.read_csv(f'{input_path}/coord_swap/df_atom_swap.csv')
     orig_coords = np.zeros((22, 3))
-    line_num = df['File line'].to_list()[0]
-    c = line_num - 2
-    orig_coords[c] = [2.5837841, 1.4738766, 2.5511920]
+    orig_coords[17] = [2.5837841, 1.4738766, 2.5511920]
 
     coordinate_swap.dummy_real_swap(test_file, 1, 'E2F', df[df['Name'] == 'DC8'], ['0.000', '0.000', '0.000\n'], 8, orig_coords)  # noqa: E501
     test_file.close()

diff --git a/ensemble_md/tests/test_replica_exchange_EE.py b/ensemble_md/tests/test_replica_exchange_EE.py
@@ -888,8 +888,8 @@ def test_default_coords_fn(self, params_dict):
 
         os.remove('residue_connect.csv')
         os.remove('residue_swap_map.csv')
-        assert (true_output_A == test_output_A).all
-        assert (true_output_B == test_output_B).all
+        assert true_output_A == test_output_A
+        assert true_output_B == test_output_B
 
     def test_process_top(self, params_dict):
         import pandas as pd