Convert nodes to list of dictionaries

Author: jan-janssen

python_workflow_definition/src/python_workflow_definition/aiida.py

@@ -5,6 +5,7 @@
 import json
 from aiida import orm
 
+from python_workflow_definition.shared import convert_nodes_list_to_dict
 
 
 def load_workflow_json(file_name):
@@ -14,7 +15,7 @@ def load_workflow_json(file_name):
     wg = WorkGraph()
     task_name_mapping = {}
 
-    for id, identifier in data["nodes"].items():
+    for id, identifier in convert_nodes_list_to_dict(nodes_list=data["nodes"]).items():
         if isinstance(identifier, str) and "." in identifier:
             p, m = identifier.rsplit(".", 1)
             mod = import_module(p)
@@ -66,7 +67,7 @@ def load_workflow_json(file_name):
 
 def write_workflow_json(wg, file_name):
     from aiida_workgraph.socket import TaskSocketNamespace
-    data = {"nodes": {}, "edges": []}
+    data = {"nodes": [], "edges": []}
     node_name_mapping = {}
     data_node_name_mapping = {}
     i = 0
@@ -76,7 +77,7 @@ def write_workflow_json(wg, file_name):
 
         callable_name = executor["callable_name"]
         callable_name = f"{executor['module_path']}.{callable_name}"
-        data["nodes"][str(i)] = callable_name
+        data["nodes"].append({"id": i, "value": callable_name})
         i += 1
 
     for link in wg.links:
@@ -105,7 +106,7 @@ def write_workflow_json(wg, file_name):
                         raw_value.pop("node_type", None)
                     else:
                         raw_value = input.value.value
-                    data["nodes"][str(i)] = raw_value
+                    data["nodes"].append({"id": i, "value": raw_value})
                     input_node_name = i
                     data_node_name_mapping[input.value.uuid] = input_node_name
                     i += 1

python_workflow_definition/src/python_workflow_definition/executorlib.py

@@ -3,7 +3,7 @@
 from inspect import isfunction
 
 
-from python_workflow_definition.shared import get_dict, get_list, get_kwargs, get_source_handles
+from python_workflow_definition.shared import get_dict, get_list, get_kwargs, get_source_handles, convert_nodes_list_to_dict
 from python_workflow_definition.purepython import resort_total_lst, group_edges
 
 
@@ -31,7 +31,8 @@ def load_workflow_json(file_name, exe):
 
     edges_new_lst = content["edges"]
     nodes_new_dict = {}
-    for k, v in content["nodes"].items():
+
+    for k, v in convert_nodes_list_to_dict(nodes_list=content["nodes"]).items():
         if isinstance(v, str) and "." in v:
             p, m = v.rsplit('.', 1)
             mod = import_module(p)

python_workflow_definition/src/python_workflow_definition/jobflow.py

@@ -5,7 +5,7 @@
 import numpy as np
 from jobflow import job, Flow
 
-from python_workflow_definition.shared import get_dict, get_list, get_kwargs, get_source_handles
+from python_workflow_definition.shared import get_dict, get_list, get_kwargs, get_source_handles, convert_nodes_list_to_dict
 
 
 def _get_function_dict(flow):
@@ -173,7 +173,7 @@ def load_workflow_json(file_name):
             )
 
     nodes_new_dict = {}
-    for k, v in content["nodes"].items():
+    for k, v in convert_nodes_list_to_dict(nodes_list=content["nodes"]).items():
         if isinstance(v, str) and "." in v:
             p, m = v.rsplit('.', 1)
             mod = import_module(p)
@@ -204,14 +204,14 @@ def write_workflow_json(flow, file_name="workflow.json"):
         nodes_dict=nodes_dict,
     )
 
-    nodes_store_dict = {}
+    nodes_store_lst = []
     for k, v in nodes_dict.items():
         if isfunction(v):
-            nodes_store_dict[k] = v.__module__ + "." + v.__name__
+            nodes_store_lst.append({"id": k, "value": v.__module__ + "." + v.__name__})
         elif isinstance(v, np.ndarray):
-            nodes_store_dict[k] = v.tolist()
+            nodes_store_lst.append({"id": k, "value": v.tolist()})
         else:
-            nodes_store_dict[k] = v
+            nodes_store_lst.append({"id": k, "value": v})
 
     with open(file_name, "w") as f:
-        json.dump({"nodes": nodes_store_dict, "edges": edges_lst}, f)
+        json.dump({"nodes": nodes_store_lst, "edges": edges_lst}, f)

python_workflow_definition/src/python_workflow_definition/purepython.py

@@ -3,7 +3,7 @@
 from inspect import isfunction
 
 
-from python_workflow_definition.shared import get_dict, get_list, get_kwargs, get_source_handles
+from python_workflow_definition.shared import get_dict, get_list, get_kwargs, get_source_handles, convert_nodes_list_to_dict
 
 
 def resort_total_lst(total_lst, nodes_dict):
@@ -55,7 +55,7 @@ def load_workflow_json(file_name):
 
     edges_new_lst = content["edges"]
     nodes_new_dict = {}
-    for k, v in content["nodes"].items():
+    for k, v in convert_nodes_list_to_dict(nodes_list=content["nodes"]).items():
         if isinstance(v, str) and "." in v:
             p, m = v.rsplit('.', 1)
             mod = import_module(p)

python_workflow_definition/src/python_workflow_definition/pyiron_base.py

@@ -6,7 +6,7 @@
 from pyiron_base import job
 from pyiron_base.project.delayed import DelayedObject
 
-from python_workflow_definition.shared import get_kwargs, get_source_handles
+from python_workflow_definition.shared import get_kwargs, get_source_handles, convert_nodes_list_to_dict
 
 
 def _resort_total_lst(total_lst, nodes_dict):
@@ -181,7 +181,7 @@ def load_workflow_json(project, file_name):
 
     edges_new_lst = content["edges"]
     nodes_new_dict = {}
-    for k, v in content["nodes"].items():
+    for k, v in convert_nodes_list_to_dict(nodes_list=content["nodes"]).items():
         if isinstance(v, str) and "." in v:
             p, m = v.rsplit('.', 1)
             if p == "python_workflow_definition.shared":
@@ -211,17 +211,17 @@ def write_workflow_json(delayed_object, file_name="workflow.json"):
     nodes_new_dict = _get_nodes(connection_dict=connection_dict, delayed_object_updated_dict=delayed_object_updated_dict)
     edges_new_lst = _get_edges_dict(edges_lst=edges_lst, nodes_dict=nodes_dict, connection_dict=connection_dict, lookup_dict=lookup_dict)
 
-    nodes_store_dict = {}
+    nodes_store_lst = []
     for k, v in nodes_new_dict.items():
         if isfunction(v):
             mod = v.__module__
             if mod == "python_workflow_definition.pyiron_base":
                 mod = "python_workflow_definition.shared"
-            nodes_store_dict[k] = mod + "." + v.__name__
+            nodes_store_lst.append({"id": k, "value": mod + "." + v.__name__})
         elif isinstance(v, np.ndarray):
-            nodes_store_dict[k] = v.tolist()
+            nodes_store_lst.append({"id": k, "value": v.tolist()})
         else:
-            nodes_store_dict[k] = v
+            nodes_store_lst.append({"id": k, "value": v})
 
     with open(file_name, "w") as f:
-        json.dump({"nodes": nodes_store_dict, "edges": edges_new_lst}, f)
+        json.dump({"nodes": nodes_store_lst, "edges": edges_new_lst}, f)

python_workflow_definition/src/python_workflow_definition/shared.py

@@ -22,4 +22,11 @@ def get_source_handles(edges_lst):
     return {
         k: list(range(len(v))) if len(v) > 1 and all([el is None for el in v]) else v
         for k, v in source_handle_dict.items()
-    }
+    }
+
+
+def convert_nodes_list_to_dict(nodes_list):
+    return {
+        str(el["id"]): el["value"]
+        for el in sorted(nodes_list, key=lambda d: d["id"])
+    }

workflow_simple.json

@@ -1,10 +1,10 @@
 {
-  "nodes": {
-    "0": "simple_workflow.add_x_and_y", 
-    "1": "simple_workflow.add_x_and_y_and_z", 
-    "2": 1, 
-    "3": 2
-  }, 
+  "nodes": [
+    {"id": 0, "value": "simple_workflow.add_x_and_y"},
+    {"id": 1, "value": "simple_workflow.add_x_and_y_and_z"},
+    {"id": 2, "value": 1},
+    {"id": 3, "value": 2}
+  ],
   "edges": [
     {"tn": 0, "th": "x", "sn": 2, "sh": null},
     {"tn": 0, "th": "y", "sn": 3, "sh": null},