Merge pull request #118 from pyiron/function

Annotate Functions
pyiron · Feb 3, 2025 · aaf2a6f · aaf2a6f
2 parents 6b216df + 89e6363
commit aaf2a6f
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Showing 2 changed files with 25 additions and 14 deletions.
diff --git a/pyiron_ontology/parser.py b/pyiron_ontology/parser.py
@@ -26,6 +26,15 @@ def get_source_output(var: Node) -> str | None:
     return f"{connection.owner.label}.outputs.{connection.label}"
 
 
+def _get_function_dict(function):
+    result = {
+        "label": function.__name__,
+    }
+    if hasattr(function, "_semantikon_metadata"):
+        result.update(function._semantikon_metadata)
+    return result
+
+
 def get_inputs_and_outputs(node: Node) -> dict:
     """
     Read input and output arguments with their type hints and return a
@@ -59,7 +68,7 @@ def get_inputs_and_outputs(node: Node) -> dict:
     return {
         "inputs": inputs,
         "outputs": outputs,
-        "function": node.node_function.__name__,
+        "function": _get_function_dict(node.node_function),
         "label": node.label,
     }
 
@@ -168,7 +177,13 @@ def get_triples(
     graph = Graph()
     node_label = workflow_namespace + data["label"]
     graph.add((URIRef(node_label), RDF.type, PROV.Activity))
-    graph.add((URIRef(node_label), PNS.hasSourceFunction, URIRef(data["function"])))
+    graph.add(
+        (URIRef(node_label), PNS.hasSourceFunction, URIRef(data["function"]["label"]))
+    )
+    if data["function"].get("uri", None) is not None:
+        graph.add((URIRef(node_label), RDF.type, URIRef(data["function"]["uri"])))
+    for t in _get_triples_from_restrictions(data["function"]):
+        graph.add(_parse_triple(t, ns=node_label, label=URIRef(node_label)))
     for io_ in ["inputs", "outputs"]:
         for key, d in data[io_].items():
             channel_label = URIRef(node_label + f".{io_}." + key)

diff --git a/tests/unit/test_parser.py b/tests/unit/test_parser.py
@@ -36,6 +36,7 @@ def calculate_speed(
 
 
 @Workflow.wrap.as_function_node("result")
+@u(uri=EX.Addition)
 def add(a: float, b: float) -> u(float, triples=(EX.HasOperation, EX.Addition)):
     return a + b
 
@@ -170,19 +171,14 @@ def test_parse_workflow(self):
         wf = Workflow("correct_analysis")
         wf.addition = add(a=1.0, b=2.0)
         graph = parse_workflow(wf)
+        tag = "correct_analysis.addition.inputs.a"
         self.assertEqual(
-            len(
-                list(
-                    graph.triples(
-                        (
-                            URIRef("correct_analysis.addition.inputs.a"),
-                            RDFS.label,
-                            Literal("correct_analysis.addition.inputs.a"),
-                        )
-                    )
-                )
-            ),
-            1,
+            len(list(graph.triples((URIRef(tag), RDFS.label, Literal(tag))))), 1,
+        )
+        self.assertTrue(
+            EX.Addition in list(
+                graph.objects(URIRef("correct_analysis.addition"), RDF.type)
+            )
         )
 
     def test_macro(self):