Set the default value to an empty dictionary for namespace socket (#317)

* update docstring of `update_nested_dict`
* When creating a task from a workgraph, the top level input of a task should be a namespace
* Fix aiida-shell version to 0.7.3
* Set the default value to an empty dictionary for namespace socket

aiida_workgraph/decorator.py

@@ -407,15 +407,25 @@ def build_task_from_workgraph(wg: any) -> Task:
     # add all the inputs/outputs from the tasks in the workgraph
     for task in wg.tasks:
         # inputs
-        inputs.append({"identifier": "workgraph.any", "name": f"{task.name}"})
+        inputs.append(
+            {
+                "identifier": "workgraph.namespace",
+                "name": f"{task.name}",
+            }
+        )
         for socket in task.inputs:
             if socket.name == "_wait":
                 continue
             inputs.append(
                 {"identifier": socket.identifier, "name": f"{task.name}.{socket.name}"}
             )
         # outputs
-        outputs.append({"identifier": "workgraph.any", "name": f"{task.name}"})
+        outputs.append(
+            {
+                "identifier": "workgraph.namespace",
+                "name": f"{task.name}",
+            }
+        )
         for socket in task.outputs:
             if socket.name in ["_wait", "_outputs"]:
                 continue

aiida_workgraph/sockets/builtins.py

@@ -30,6 +30,8 @@ def __init__(
         **kwargs: Any
     ) -> None:
         super().__init__(name, node, type, index, uuid=uuid)
+        # Set the default value to an empty dictionary
+        kwargs.setdefault("default", {})
         self.add_property("workgraph.any", name, **kwargs)
 
 

aiida_workgraph/utils/__init__.py

@@ -149,20 +149,44 @@ def get_nested_dict(d: Dict, name: str, **kwargs) -> Any:
     return current
 
 
-def update_nested_dict(d: Dict[str, Any], key: str, value: Any) -> None:
+def update_nested_dict(d: Optional[Dict[str, Any]], key: str, value: Any) -> None:
     """
-    d = {}
-    key = "base.pw.parameters"
-    value = 2
-    will give:
-    d = {"base": {"pw": {"parameters": 2}}
+    Update or create a nested dictionary structure based on a dotted key path.
+
+    This function allows updating a nested dictionary or creating one if `d` is `None`.
+    Given a dictionary and a key path (e.g., "base.pw.parameters"), it will traverse
+    or create the necessary nested structure to set the provided value at the specified
+    key location. If intermediate dictionaries do not exist, they will be created.
+    If the resulting dictionary is empty, it is set to `None`.
+
+    Args:
+        d (Dict[str, Any] | None): The dictionary to update, which can be `None`.
+                                   If `None`, an empty dictionary will be created.
+        key (str): A dotted key path string representing the nested structure.
+        value (Any): The value to set at the specified key.
+
+    Example:
+        d = None
+        key = "base.pw.parameters"
+        value = 2
+        After running:
+            update_nested_dict(d, key, value)
+        The result will be:
+            d = {"base": {"pw": {"parameters": 2}}}
+
+    Edge Case:
+        If the resulting dictionary is empty after the update, it will be set to `None`.
+
     """
     keys = key.split(".")
-    current = d
-    current = {} if current is None else current
+    current = d if d is not None else {}
     for k in keys[:-1]:
         current = current.setdefault(k, {})
     current[keys[-1]] = value
+    # if current is empty, set it to None
+    if not current:
+        current = None
+    return current
 
 
 def is_empty(value: Any) -> bool:

pyproject.toml

@@ -31,7 +31,7 @@ dependencies = [
     "node-graph>=0.1.0",
     "aiida-core>=2.3",
     "cloudpickle",
-    "aiida-shell",
+    "aiida-shell==0.7.3",
     "fastapi",
     "uvicorn",
     "pydantic_settings",

tests/test_socket.py

@@ -87,6 +87,7 @@ def test(a, b=1, **kwargs):
     test1 = test.node()
     assert test1.inputs["kwargs"].link_limit == 1e6
     assert test1.inputs["kwargs"].identifier == "workgraph.namespace"
+    assert test1.inputs["kwargs"].property.value == {}
 
 
 @pytest.mark.parametrize(

tests/test_tasks.py

@@ -34,6 +34,7 @@ def test_build_task_from_workgraph(
     wg = WorkGraph("build_task_from_workgraph")
     add1_task = wg.add_task(decorated_add, name="add1", x=1, y=3)
     wg_task = wg.add_task(wg_calcfunction, name="wg_calcfunction")
+    assert wg_task.inputs["sumdiff1"].value == {}
     wg.add_task(decorated_add, name="add2", y=3)
     wg.add_link(add1_task.outputs["result"], wg_task.inputs["sumdiff1.x"])
     wg.add_link(wg_task.outputs["sumdiff2.sum"], wg.tasks["add2"].inputs["x"])