Fix execution_count, and only show new_data if it not empty (#273)

aiida_workgraph/__init__.py

@@ -9,6 +9,6 @@
 from .task import Task
 from .decorator import task, build_task
 
-__version__ = "0.3.23"
+__version__ = "0.3.24"
 
 __all__ = ["WorkGraph", "Task", "task", "build_task"]

aiida_workgraph/collection.py

@@ -92,7 +92,6 @@ def new(
 
         # build the socket on the fly if the identifier is a callable
         if callable(identifier):
-            print("identifier is callable", identifier)
             identifier = build_socket_from_AiiDA(identifier)
         # Call the original new method
         return super().new(identifier, name, **kwargs)

aiida_workgraph/engine/workgraph.py

@@ -87,7 +87,6 @@ def define(cls, spec: WorkChainSpec) -> None:
 
         spec.outputs.dynamic = True
 
-        spec.output_namespace("new_data", dynamic=True)
         spec.output(
             "execution_count",
             valid_type=orm.Int,
@@ -481,7 +480,7 @@ def setup(self) -> None:
         self.init_ctx(wgdata)
         #
         self.ctx._msgs = []
-        self.ctx._execution_count = 0
+        self.ctx._execution_count = 1
         # init task results
         self.set_task_results()
         # data not to be persisted, because they are not serializable
@@ -667,7 +666,6 @@ def kill_task(self, name: str) -> None:
                     self.logger.error(f"Error in killing task {name}: {e}")
 
     def continue_workgraph(self) -> None:
-        print("Continue workgraph.")
         self.report("Continue workgraph.")
         # self.update_workgraph_from_base()
         task_to_run = []
@@ -1499,7 +1497,8 @@ def finalize(self) -> t.Optional[ExitCode]:
                         )
         self.out_many(group_outputs)
         # output the new data
-        self.out("new_data", self.ctx._new_data)
+        if self.ctx._new_data:
+            self.out("new_data", self.ctx._new_data)
         self.out("execution_count", orm.Int(self.ctx._execution_count).store())
         self.report("Finalize workgraph.")
         for _, task in self.ctx._tasks.items():

tests/test_while.py

@@ -104,7 +104,7 @@ def test_while_workgraph(decorated_add, decorated_multiply, decorated_compare):
     add1.set_context({"result": "n"})
     wg.add_link(multiply1.outputs["result"], add1.inputs["x"])
     wg.submit(wait=True, timeout=100)
-    assert wg.execution_count == 3
+    assert wg.execution_count == 4
     assert wg.tasks["add1"].outputs["result"].value == 29