diff --git a/tests/test_molecule_state.py b/tests/test_molecule_state.py index a69113d..a50a036 100644 --- a/tests/test_molecule_state.py +++ b/tests/test_molecule_state.py @@ -112,8 +112,9 @@ def test_csv_writer(ray_init, caplog): with open(Path(tempdir, "test.csv")) as f: csvdata = list(csv.reader(f)) - assert csvdata[0][0] == "CCC" - assert np.isclose(float(csvdata[0][1]), 0.3854706587740357) + # start at the second row to account for the header row + assert csvdata[1][0] == "CCC" + assert np.isclose(float(csvdata[1][1]), 0.3854706587740357) - assert csvdata[1][0] == "CCO" - assert np.isclose(float(csvdata[1][1]), 0.40680796565539457) + assert csvdata[2][0] == "CCO" + assert np.isclose(float(csvdata[2][1]), 0.40680796565539457)