Fix featurizer atomic types (#46)

* Get atomic_types through capabilities

* Add test

* Fix version to 1.1.0

Author: sofiia-chorna

src/pet_mad/explore/_featurizer.py

@@ -106,7 +106,7 @@ def __init__(
             cache_dir=cache_dir,
         )
 
-        petmad = get_pet_mad(version="latest", checkpoint_path=pet_checkpoint_path)
+        petmad = get_pet_mad(version="1.1.0", checkpoint_path=pet_checkpoint_path)
 
         explorer = MADExplorer(petmad.module, device=device)
         explorer.load_checkpoint(petmad_explorer_path)

tests/pet_mad/test_featurizer.py

@@ -0,0 +1,11 @@
+import numpy as np
+from ase.build import bulk
+
+from pet_mad.explore import PETMADFeaturizer
+
+
+def test_basic_usage():
+    atoms = bulk("Si", cubic=True, a=5.43, crystalstructure="diamond")
+    featurizer = PETMADFeaturizer("latest")
+    feats = featurizer([atoms], None)
+    assert isinstance(feats, np.ndarray)