add MatterSim and SevenNet to test_ext_load

Author: janosh

tests/forcefields/test_utils.py

@@ -4,20 +4,27 @@
 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)
+@pytest.mark.parametrize("mlff", MLFF)
+def test_mlff(mlff: MLFF):
     assert mlff == MLFF(str(mlff)) == MLFF(str(mlff).split(".")[-1])
 
 
-@pytest.mark.parametrize(("force_field"), ["CHGNet", "MACE"])
-def test_ext_load(force_field: str):
+@pytest.mark.parametrize("mlff", ["CHGNet", "MACE", MLFF.MatterSim, MLFF.SevenNet])
+def test_ext_load(mlff: str):
     decode_dict = {
         "CHGNet": {"@module": "chgnet.model.dynamics", "@callable": "CHGNetCalculator"},
         "MACE": {"@module": "mace.calculators", "@callable": "mace_mp"},
-    }[force_field]
+        MLFF.MatterSim: {
+            "@module": "mattersim.forcefield",
+            "@callable": "MatterSimCalculator",
+        },
+        MLFF.SevenNet: {
+            "@module": "sevenn.sevennet_calculator",
+            "@callable": "SevenNetCalculator",
+        },
+    }[mlff]
     calc_from_decode = ase_calculator(decode_dict)
-    calc_from_preset = ase_calculator(str(MLFF(force_field)))
+    calc_from_preset = ase_calculator(str(MLFF(mlff)))
     assert type(calc_from_decode) is type(calc_from_preset)
     assert calc_from_decode.name == calc_from_preset.name
     assert calc_from_decode.parameters == calc_from_preset.parameters == {}