diff --git a/ensemble_md/tests/test_analyze_free_energy.py b/ensemble_md/tests/test_analyze_free_energy.py index e674d7ac..dc88fe74 100644 --- a/ensemble_md/tests/test_analyze_free_energy.py +++ b/ensemble_md/tests/test_analyze_free_energy.py @@ -188,6 +188,7 @@ def test_combine_df_adjacent(): state_ranges = [[0, 1, 2], [1, 2, 3]] # Test 1: df_err_adjacent is None (in which case err_type is ignored) + # Note that this test would lead to two harmless RuntimWarnings due to calculations like np.std([1], ddof=1), which return NaN # noqa: E501 results = analyze_free_energy._combine_df_adjacent(df_adjacent, state_ranges, None, "propagate") assert results[0] == [1, 3.5, 6] assert math.isnan(results[1][0]) diff --git a/ensemble_md/tests/test_analyze_traj.py b/ensemble_md/tests/test_analyze_traj.py index e3135707..b47b3fd9 100644 --- a/ensemble_md/tests/test_analyze_traj.py +++ b/ensemble_md/tests/test_analyze_traj.py @@ -291,6 +291,7 @@ def test_traj2transmtx(): np.testing.assert_array_equal(analyze_traj.traj2transmtx(traj, N, normalize=False), array) # Case 2: normalize=True + # This test would lead to a harmless RuntimeWarnings due to 0/0 in the last row. array = np.array([ [0, 0.5, 0, 0.5], [0.5, 0, 0.5, 0],