diff --git a/tests/command_line/test_chargemol_caller.py b/tests/command_line/test_chargemol_caller.py index ad78de2cd27..cac8c086037 100644 --- a/tests/command_line/test_chargemol_caller.py +++ b/tests/command_line/test_chargemol_caller.py @@ -81,8 +81,9 @@ def mock_xyz(tmp_path: Path): def test_parse_chargemol(monkeypatch, mock_xyz): monkeypatch.setattr( - "pymatgen.command_line.chargemol_caller._download_and_unzip_atomic_densities", - fake_download, + ChargemolAnalysis, + "_download_and_unzip_atomic_densities", + lambda self, version, verbose: fake_download(self), ) ca = ChargemolAnalysis(path=str(mock_xyz), run_chargemol=False) @@ -133,8 +134,13 @@ def test_fake_download_and_modify_path(monkeypatch): # Create an instance of ChargemolAnalysis test_dir = f"{TEST_FILES_DIR}/chargemol/spin_unpolarized" - ca = ChargemolAnalysis(path=test_dir, run_chargemol=False) + ca = ChargemolAnalysis( + path=test_dir, + # atomic_densities_path=os.path.expanduser("~/.cache/pymatgen/ddec"), + run_chargemol=False, + ) # Your assertions - assert ca._atomic_densities_path == "~/.cache/pymatgen/ddec" + assert ca._atomic_densities_path == os.getcwd() + # assert ca._atomic_densities_path == os.path.expanduser("~/.cache/pymatgen/ddec") # TODO: Add more tests to ensure Chargemol was run correctly