add small MLFF test

materialsproject · Nov 26, 2024 · 2322a59 · 2322a59
1 parent 27e1ec1
commit 2322a59
Showing 1 changed file with 6 additions and 0 deletions.
diff --git a/tests/forcefields/test_utils.py b/tests/forcefields/test_utils.py
@@ -4,6 +4,12 @@
 from atomate2.forcefields.utils import ase_calculator
 
 
+@pytest.mark.parametrize(("force_field"), [mlff.value for mlff in MLFF])
+def test_mlff(force_field: str):
+    mlff = MLFF(force_field)
+    assert mlff == MLFF(str(mlff)) == MLFF(str(mlff).split(".")[-1])
+
+
 @pytest.mark.parametrize(("force_field"), ["CHGNet", "MACE"])
 def test_ext_load(force_field: str):
     decode_dict = {