fixed packmol unit test

ur-whitelab · Mar 18, 2024 · 0a6cb95 · 0a6cb95
1 parent ee1066a
commit 0a6cb95
Showing 1 changed file with 6 additions and 1 deletion.
diff --git a/tests/test_packing.py b/tests/test_packing.py
@@ -66,7 +66,9 @@ def test_packmol_generate_input(packmolbox, dummy_molecule):
     assert "end structure" in output
 
 
-def test_packmol_validate_input_missing_info(packmoltool, packmol_valid_input):
+def test_packmol_validate_input_missing_info(
+    packmoltool, packmol_valid_input, get_registry
+):
     example_input = packmol_valid_input
     example_input["pdbfiles_id"] = []
     input_valid = packmoltool.validate_input(example_input)
@@ -97,6 +99,9 @@ def test_packmol_validate_input_missing_info(packmoltool, packmol_valid_input):
         "pdbfiles and 2 small molecules" in input_valid["error"]
     )
 
+    get_registry.map_path("3pqr_test", "3pqr.cif", "cif_test_file")
+    packmoltool = PackMolTool(get_registry)
+    example_input["pdbfiles_id"] = ["3pqr_test"]
     example_input["small_molecules"] = ["nonsense"]
     input_valid = packmoltool.validate_input(example_input)
     assert "error" in input_valid.keys()