added tests to writefilename and map path

tests/test_fxns.py

@@ -1,3 +1,4 @@
+import json
 import os
 import warnings
 from unittest.mock import MagicMock, mock_open, patch
@@ -11,7 +12,7 @@
     get_pdb,
 )
 from mdagent.tools.base_tools.analysis_tools.plot_tools import plot_data, process_csv
-from mdagent.utils import PathRegistry
+from mdagent.utils import FileType, PathRegistry
 
 warnings.filterwarnings("ignore", category=DeprecationWarning, module="pkg_resources")
 
@@ -169,3 +170,109 @@ def test_setup_simulation_from_json(mock_json_load, mock_file_open, sim_fxns):
 def test_getpdb(fibronectin, get_registry):
     name, _ = get_pdb(fibronectin, get_registry)
     assert name.endswith(".pdb")
+
+
+@pytest.fixture
+def path_registry():
+    registry = PathRegistry()
+    registry.get_timestamp = lambda: "20240109"
+    return registry
+
+
+def test_write_to_file():
+    path_registry = PathRegistry()
+
+    with patch("builtins.open", mock_open()):
+        file_name = path_registry.write_file_name(
+            FileType.PROTEIN,
+            protein_name="1XYZ",
+            description="testing",
+            file_format="pdb",
+        )
+        # assert file name starts and ends correctly
+        assert file_name.startswith("1XYZ")
+        assert file_name.endswith(".pdb")
+
+
+def test_write_file_name_protein(path_registry):
+    file_name = path_registry.write_file_name(
+        FileType.PROTEIN, protein_name="1XYZ", description="testing", file_format="pdb"
+    )
+    assert file_name == "1XYZ_testing_20240109.pdb"
+
+
+def test_write_file_name_simulation_with_conditions(path_registry):
+    file_name = path_registry.write_file_name(
+        FileType.SIMULATION,
+        type_of_sim="MD",
+        protein_file_id="1XYZ",
+        conditions="pH7",
+        time_stamp="20240109",
+    )
+    assert file_name == "MD_1XYZ_pH7_20240109"
+
+
+def test_write_file_name_simulation_modified(path_registry):
+    file_name = path_registry.write_file_name(
+        FileType.SIMULATION, Sim_id="SIM456", modified=True, time_stamp="20240109"
+    )
+    assert file_name == "SIM456_MOD_20240109"
+
+
+def test_write_file_name_simulation_default(path_registry):
+    file_name = path_registry.write_file_name(
+        FileType.SIMULATION,
+        type_of_sim="MD",
+        protein_file_id="123",
+        time_stamp="20240109",
+    )
+    assert file_name == "MD_123_20240109"
+
+
+def test_write_file_name_record(path_registry):
+    file_name = path_registry.write_file_name(
+        FileType.RECORD, protein_file_id="123", Sim_id="SIM456", time_stamp="20240109"
+    )
+    assert file_name == "123_SIM456_20240109"
+
+
+def test_map_path():
+    mock_json_data = {
+        "existing_name": {
+            "path": "existing/path",
+            "description": "Existing description",
+        }
+    }
+    new_path_dict = {"new_name": {"path": "new/path", "description": "New description"}}
+    updated_json_data = {**mock_json_data, **new_path_dict}
+
+    path_registry = PathRegistry()
+    path_registry.json_file_path = "dummy_json_file.json"
+
+    # Mocking os.path.exists to simulate the JSON file existence
+    with patch("os.path.exists", return_value=True):
+        # Mocking open for both reading and writing the JSON file
+        with patch(
+            "builtins.open", mock_open(read_data=json.dumps(mock_json_data))
+        ) as mocked_file:
+            # Optionally, you can mock internal methods if needed
+            with patch.object(
+                path_registry, "_check_for_json", return_value=True
+            ), patch.object(
+                path_registry, "_check_json_content", return_value=True
+            ), patch.object(
+                path_registry, "_get_full_path", return_value="new/path"
+            ):  # Mocking _get_full_path
+                result = path_registry.map_path(
+                    "new_name", "new/path", "New description"
+                )
+                # Aggregating all calls to write into a single string
+                written_data = "".join(
+                    call.args[0] for call in mocked_file().write.call_args_list
+                )
+
+                # Comparing the aggregated data with the expected JSON data
+                assert json.loads(written_data) == updated_json_data
+
+                # Check the result message
+                assert result == "Path successfully mapped to name: new_name"