Class_format

tests/core/atoms/conftest.py

@@ -9,22 +9,18 @@
 FILE_DIR = Path(__file__).parent
 
 
-def mock_generate_chemshell_cluster(
-    slab, slab_center_idx, atom_oxi_states, filepath, **kwargs
-):
+def mock_run_chemshell(slab, slab_center_idx, atom_oxi_states, filepath, **kwargs):
     with (
         gzip.open(
-            Path(FILE_DIR, "skzcam_files", "REF_ChemShell_cluster.xyz.gz"), "rb"
+            Path(FILE_DIR, "skzcam_files", "REF_ChemShell_Cluster.xyz.gz"), "rb"
         ) as f_in,
-        Path(filepath, "ChemShell_cluster.xyz").open(mode="wb") as f_out,
+        Path(filepath, "ChemShell_Cluster.xyz").open(mode="wb") as f_out,
     ):
         shutil.copyfileobj(f_in, f_out)
 
 
 @pytest.fixture(autouse=True)
-def patch_generate_chemshell_cluster(monkeypatch):
-    from quacc.atoms import skzcam
+def patch_run_chemshell(monkeypatch):
+    from quacc.atoms.skzcam import CreateSKZCAMClusters
 
-    monkeypatch.setattr(
-        skzcam, "generate_chemshell_cluster", mock_generate_chemshell_cluster
-    )
+    monkeypatch.setattr(CreateSKZCAMClusters, "run_chemshell", mock_run_chemshell)