add pydantic model for workflow

Author: JaGeo

example_workflows/nested/jobflow.ipynb

@@ -2,13 +2,64 @@
  "cells": [
   {
    "cell_type": "code",
-   "execution_count": null,
    "id": "initial_id",
    "metadata": {
-    "collapsed": true
+    "collapsed": true,
+    "ExecuteTime": {
+     "end_time": "2025-10-23T13:08:02.617292Z",
+     "start_time": "2025-10-23T13:08:02.205177Z"
+    }
+   },
+   "source": "from python_workflow_definition.jobflow import load_workflow_json",
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "/home/jgeorge/miniconda3/envs/2025_PWD_Extension_nested_flows/lib/python3.11/site-packages/tqdm/auto.py:21: TqdmWarning: IProgress not found. Please update jupyter and ipywidgets. See https://ipywidgets.readthedocs.io/en/stable/user_install.html\n",
+      "  from .autonotebook import tqdm as notebook_tqdm\n"
+     ]
+    }
+   ],
+   "execution_count": 1
+  },
+  {
+   "metadata": {
+    "ExecuteTime": {
+     "end_time": "2025-10-23T13:08:03.884311Z",
+     "start_time": "2025-10-23T13:08:03.635773Z"
+    }
    },
+   "cell_type": "code",
+   "source": "load_workflow_json(\"main.pwd.json\")",
+   "id": "7e1707c47e14fbcc",
+   "outputs": [
+    {
+     "ename": "ModuleNotFoundError",
+     "evalue": "No module named 'prod_div'",
+     "output_type": "error",
+     "traceback": [
+      "\u001B[31m---------------------------------------------------------------------------\u001B[39m",
+      "\u001B[31mModuleNotFoundError\u001B[39m                       Traceback (most recent call last)",
+      "\u001B[36mCell\u001B[39m\u001B[36m \u001B[39m\u001B[32mIn[2]\u001B[39m\u001B[32m, line 1\u001B[39m\n\u001B[32m----> \u001B[39m\u001B[32m1\u001B[39m \u001B[43mload_workflow_json\u001B[49m\u001B[43m(\u001B[49m\u001B[33;43m\"\u001B[39;49m\u001B[33;43mmain.pwd.json\u001B[39;49m\u001B[33;43m\"\u001B[39;49m\u001B[43m)\u001B[49m\n",
+      "\u001B[36mFile \u001B[39m\u001B[32m/smb/jgeorge/hpc-user/PycharmProjects/2025_PWD_Extension_nested_flows/python-workflow-definition/src/python_workflow_definition/jobflow.py:301\u001B[39m, in \u001B[36mload_workflow_json\u001B[39m\u001B[34m(file_name)\u001B[39m\n\u001B[32m    299\u001B[39m \u001B[38;5;28;01mif\u001B[39;00m \u001B[38;5;28misinstance\u001B[39m(v, \u001B[38;5;28mstr\u001B[39m) \u001B[38;5;129;01mand\u001B[39;00m \u001B[33m\"\u001B[39m\u001B[33m.\u001B[39m\u001B[33m\"\u001B[39m \u001B[38;5;129;01min\u001B[39;00m v:\n\u001B[32m    300\u001B[39m     p, m = v.rsplit(\u001B[33m\"\u001B[39m\u001B[33m.\u001B[39m\u001B[33m\"\u001B[39m, \u001B[32m1\u001B[39m)\n\u001B[32m--> \u001B[39m\u001B[32m301\u001B[39m     mod = \u001B[43mimport_module\u001B[49m\u001B[43m(\u001B[49m\u001B[43mp\u001B[49m\u001B[43m)\u001B[49m\n\u001B[32m    302\u001B[39m     nodes_new_dict[\u001B[38;5;28mint\u001B[39m(k)] = \u001B[38;5;28mgetattr\u001B[39m(mod, m)\n\u001B[32m    303\u001B[39m \u001B[38;5;28;01melse\u001B[39;00m:\n",
+      "\u001B[36mFile \u001B[39m\u001B[32m~/miniconda3/envs/2025_PWD_Extension_nested_flows/lib/python3.11/importlib/__init__.py:126\u001B[39m, in \u001B[36mimport_module\u001B[39m\u001B[34m(name, package)\u001B[39m\n\u001B[32m    124\u001B[39m             \u001B[38;5;28;01mbreak\u001B[39;00m\n\u001B[32m    125\u001B[39m         level += \u001B[32m1\u001B[39m\n\u001B[32m--> \u001B[39m\u001B[32m126\u001B[39m \u001B[38;5;28;01mreturn\u001B[39;00m \u001B[43m_bootstrap\u001B[49m\u001B[43m.\u001B[49m\u001B[43m_gcd_import\u001B[49m\u001B[43m(\u001B[49m\u001B[43mname\u001B[49m\u001B[43m[\u001B[49m\u001B[43mlevel\u001B[49m\u001B[43m:\u001B[49m\u001B[43m]\u001B[49m\u001B[43m,\u001B[49m\u001B[43m \u001B[49m\u001B[43mpackage\u001B[49m\u001B[43m,\u001B[49m\u001B[43m \u001B[49m\u001B[43mlevel\u001B[49m\u001B[43m)\u001B[49m\n",
+      "\u001B[36mFile \u001B[39m\u001B[32m<frozen importlib._bootstrap>:1204\u001B[39m, in \u001B[36m_gcd_import\u001B[39m\u001B[34m(name, package, level)\u001B[39m\n",
+      "\u001B[36mFile \u001B[39m\u001B[32m<frozen importlib._bootstrap>:1176\u001B[39m, in \u001B[36m_find_and_load\u001B[39m\u001B[34m(name, import_)\u001B[39m\n",
+      "\u001B[36mFile \u001B[39m\u001B[32m<frozen importlib._bootstrap>:1140\u001B[39m, in \u001B[36m_find_and_load_unlocked\u001B[39m\u001B[34m(name, import_)\u001B[39m\n",
+      "\u001B[31mModuleNotFoundError\u001B[39m: No module named 'prod_div'"
+     ]
+    }
+   ],
+   "execution_count": 2
+  },
+  {
+   "metadata": {},
+   "cell_type": "code",
    "outputs": [],
-   "source": "from python_workflow_definition.aiida import load_workflow_json"
+   "execution_count": null,
+   "source": "",
+   "id": "ae57f67080d3a26c"
   }
  ],
  "metadata": {

src/python_workflow_definition/models.py

@@ -63,13 +63,34 @@ def check_value_format(cls, v: str):
             raise ValueError(msg)
         return v
 
+class PythonWorkflowDefinitionWorklowNode(PythonWorkflowDefinitionBaseNode):
+    """
+    Model for function execution nodes.
+    The 'name' attribute is computed automatically from 'value'.
+    """
+
+    type: Literal["workflow"]
+    value: str  # Expected format: 'module.function'
+
+    @field_validator("value")
+    @classmethod
+    def check_value_format(cls, v: str):
+        if not v or "." not in v or v.startswith(".") or v.endswith("."):
+            msg = (
+                "FunctionNode 'value' must be a non-empty string ",
+                "in 'module.function' format with at least one period.",
+            )
+            raise ValueError(msg)
+        return v
+
 
 # Discriminated Union for Nodes
 PythonWorkflowDefinitionNode = Annotated[
     Union[
         PythonWorkflowDefinitionInputNode,
         PythonWorkflowDefinitionOutputNode,
         PythonWorkflowDefinitionFunctionNode,
+        PythonWorkflowDefinitionWorklowNode
     ],
     Field(discriminator="type"),
 ]