[patch] Multiple dispatch for function and macro decorators (#407)

docs/README.md

@@ -61,7 +61,7 @@ But the intent is to collect them together into a workflow and leverage existing
 ... def Permutations(n, choose=None):
 ...     return math.perm(n, choose)
 >>> 
->>> @Workflow.wrap.as_macro_node()
+>>> @Workflow.wrap.as_macro_node
 ... def PermutationDifference(self, n, choose=None):
 ...     self.p = Permutations(n, choose=choose)
 ...     self.plus_1 = AddOne(n)

notebooks/deepdive.ipynb

@@ -715,7 +715,7 @@
     }
    ],
    "source": [
-    "@as_function_node()\n",
+    "@as_function_node\n",
     "def Linear(x):\n",
     "    return x\n",
     "\n",
@@ -1242,7 +1242,7 @@
    "source": [
     "wf = Workflow(\"simple\")\n",
     "\n",
-    "@Workflow.wrap.as_function_node()\n",
+    "@Workflow.wrap.as_function_node\n",
     "def AddOne(x):\n",
     "    y = x + 1\n",
     "    return y\n",
@@ -1867,7 +1867,7 @@
     }
    ],
    "source": [
-    "@Workflow.wrap.as_macro_node()\n",
+    "@Workflow.wrap.as_macro_node\n",
     "def AddThree(macro, x: int = 0):\n",
     "    \"\"\"\n",
     "    The function decorator `as_macro_node` expects the decorated function \n",
@@ -4530,7 +4530,7 @@
     }
    ],
    "source": [
-    "@Workflow.wrap.as_function_node()\n",
+    "@Workflow.wrap.as_function_node\n",
     "def FiveApart(a: int, b: int, c: int, d: int, e: str = \"foobar\"):\n",
     "    return a, b, c, d, e,\n",
     "\n",

notebooks/quickstart.ipynb

@@ -37,7 +37,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "@Workflow.wrap.as_function_node()\n",
+    "@Workflow.wrap.as_function_node\n",
     "def AddOne(x):\n",
     "    y = x + 1\n",
     "    return y\n",

pyiron_workflow/nodes/composite.py

@@ -421,8 +421,8 @@ def graph_as_dict(self) -> dict:
                     for n in self
                     for out in n.signals.output
                     for inp in out.connections
-                }
-            }
+                },
+            },
         }
 
     @property

pyiron_workflow/nodes/for_loop.py

@@ -533,7 +533,7 @@ def for_node(
         Note that if we had simply returned each input individually, without any output
         labels on the node, we'd need to specify a map on the for-node so that the
         (looped) input and output columns on the resulting dataframe are all unique:
-        >>> @Workflow.wrap.as_function_node()
+        >>> @Workflow.wrap.as_function_node
         ... def FiveApart(a: int, b: int, c: int, d: int, e: str = "foobar"):
         ...     return a, b, c, d, e,
         >>>

pyiron_workflow/nodes/function.py

@@ -7,6 +7,7 @@
 from pyiron_snippets.factory import classfactory
 
 from pyiron_workflow.mixin.preview import ScrapesIO
+from pyiron_workflow.nodes.multiple_distpatch import dispatch_output_labels
 from pyiron_workflow.nodes.static_io import StaticNode
 
 
@@ -192,9 +193,10 @@ class Function(StaticNode, ScrapesIO, ABC):
         that fixes some of the node behaviour -- i.e. the :meth:`node_function`.
 
         This can be done most easily with the :func:`as_function_node` decorator, which
-        takes a function and returns a node class. It also allows us to provide labels
-        for the return values, :param:output_labels, which are otherwise scraped from
-        the text of the function definition:
+        takes a function and returns a node class. This can be used in the usual way,
+        but the decorator itself also optionally accepts some arguments. Namely, it
+        also allows us to provide labels for the return values, :param:output_labels,
+        which are otherwise scraped from the text of the function definition:
 
         >>> from pyiron_workflow import as_function_node
         >>>
@@ -237,7 +239,7 @@ class Function(StaticNode, ScrapesIO, ABC):
         Let's put together a couple of nodes and then run in a "pull" paradigm to get
         the final node to run everything "upstream" then run itself:
 
-        >>> @as_function_node()
+        >>> @as_function_node
         ... def adder_node(x: int = 0, y: int = 0) -> int:
         ...     sum = x + y
         ...     return sum
@@ -264,7 +266,7 @@ class Function(StaticNode, ScrapesIO, ABC):
         (like cyclic graphs).
         Here's our simple example from above using this other paradigm:
 
-        >>> @as_function_node()
+        >>> @as_function_node
         ... def adder_node(x: int = 0, y: int = 0) -> int:
         ...     sum = x + y
         ...     return sum
@@ -391,6 +393,7 @@ def function_node_factory(
     )
 
 
+@dispatch_output_labels
 def as_function_node(
     *output_labels: str,
     validate_output_labels=True,

pyiron_workflow/nodes/macro.py

@@ -15,6 +15,7 @@
 from pyiron_workflow.mixin.has_interface_mixins import HasChannel
 from pyiron_workflow.io import Outputs, Inputs
 from pyiron_workflow.mixin.preview import ScrapesIO
+from pyiron_workflow.nodes.multiple_distpatch import dispatch_output_labels
 from pyiron_workflow.nodes.static_io import StaticNode
 
 if TYPE_CHECKING:
@@ -170,12 +171,12 @@ class Macro(Composite, StaticNode, ScrapesIO, ABC):
 
         If there's a particular macro we're going to use again and again, we might want
         to consider making a new class for it using the decorator, just like we do for
-        function nodes. If no output labels are explicitly provided, these are scraped
-        from the function return value, just like for function nodes (except the
-        initial `macro.` (or whatever the first argument is named) on any return values
-        is ignored):
+        function nodes. If no output labels are explicitly provided as arguments to the
+        decorator itself, these are scraped from the function return value, just like
+        for function nodes (except the initial `macro` (or `self` or whatever the first
+        argument is named) on any return values is ignored):
 
-        >>> @Macro.wrap.as_macro_node()
+        >>> @Macro.wrap.as_macro_node
         ... def AddThreeMacro(self, x):
         ...     add_three_macro(self, one__x=x)
         ...     # We could also simply have decorated that function to begin with
@@ -206,7 +207,7 @@ class Macro(Composite, StaticNode, ScrapesIO, ABC):
         to do this. Let's explore these by going back to our `add_three_macro` and
         replacing each of its children with a node that adds 2 instead of 1.
 
-        >>> @Macro.wrap.as_function_node()
+        >>> @Macro.wrap.as_function_node
         ... def add_two(x):
         ...     result = x + 2
         ...     return result
@@ -511,6 +512,7 @@ def macro_node_factory(
     )
 
 
+@dispatch_output_labels
 def as_macro_node(
     *output_labels: str, validate_output_labels: bool = True, use_cache: bool = True
 ):

pyiron_workflow/nodes/multiple_distpatch.py

@@ -0,0 +1,29 @@
+from __future__ import annotations
+
+"""
+Shared code for various node-creating decorators facilitating multiple dispatch (i.e.
+using decorators with or without arguments, contextually.
+"""
+
+
+class MultipleDispatchError(ValueError):
+    """
+    Raise from callables using multiple dispatch when no interpretation of input
+    matches an expected case.
+    """
+
+
+def dispatch_output_labels(single_dispatch_decorator):
+    def multi_dispatch_decorator(*output_labels, **kwargs):
+        if len(output_labels) > 0 and callable(output_labels[0]):
+            if len(output_labels) > 1:
+                raise MultipleDispatchError(
+                    f"Output labels must all be strings (for decorator usage with an "
+                    f"argument), or a callable must be provided alone -- got "
+                    f"{output_labels}."
+                )
+            return single_dispatch_decorator(**kwargs)(output_labels[0])
+        else:
+            return single_dispatch_decorator(*output_labels, **kwargs)
+
+    return multi_dispatch_decorator

pyiron_workflow/nodes/standard.py

@@ -14,7 +14,7 @@
 from pyiron_workflow.nodes.function import Function, as_function_node
 
 
-@as_function_node()
+@as_function_node
 def UserInput(user_input):
     """
     Returns the user input as it is.
@@ -177,7 +177,7 @@ def Int(x):
     return int(x)
 
 
-@as_function_node()
+@as_function_node
 def PureCall(fnc: callable):
     """
     Return a call without any arguments

pyiron_workflow/workflow.py

@@ -70,7 +70,7 @@ class Workflow(ParentMost, Composite):
 
         >>> from pyiron_workflow.workflow import Workflow
         >>>
-        >>> @Workflow.wrap.as_function_node()
+        >>> @Workflow.wrap.as_function_node
         ... def fnc(x=0):
         ...     return x + 1
         >>>

tests/integration/test_provenance.py

@@ -12,12 +12,12 @@ class TestProvenance(unittest.TestCase):
     """
 
     def setUp(self) -> None:
-        @Workflow.wrap.as_function_node()
+        @Workflow.wrap.as_function_node
         def Slow(t):
             sleep(t)
             return t
 
-        @Workflow.wrap.as_macro_node()
+        @Workflow.wrap.as_macro_node
         def Provenance(self, t):
             self.fast = Workflow.create.standard.UserInput(t)
             self.slow = Slow(t)

tests/static/demo_nodes.py

@@ -31,6 +31,6 @@ def dynamic(x):
     return x + 1
 
 
-Dynamic = Workflow.wrap.as_function_node()(dynamic)
+Dynamic = Workflow.wrap.as_function_node(dynamic)
 
 nodes = [OptionallyAdd, AddThree, AddPlusOne, Dynamic]

tests/unit/nodes/test_for_loop.py

@@ -229,7 +229,7 @@ def test_dynamic_length(self):
         )
 
     def test_column_mapping(self):
-        @as_function_node()
+        @as_function_node
         def FiveApart(
             a: int = 0,
             b: int = 1,
@@ -338,7 +338,7 @@ def test_body_node_executor(self):
     def test_with_connections(self):
         length_y = 3
 
-        @as_macro_node()
+        @as_macro_node
         def LoopInside(self, x: list, y: int):
             self.to_list = inputs_to_list(
                 length_y, y, y, y

tests/unit/nodes/test_function.py

@@ -3,8 +3,9 @@
 import unittest
 
 from pyiron_workflow.channels import NOT_DATA
-from pyiron_workflow.nodes.function import function_node, as_function_node
+from pyiron_workflow.nodes.function import function_node, as_function_node, Function
 from pyiron_workflow.io import ConnectionCopyError, ValueCopyError
+from pyiron_workflow.nodes.multiple_distpatch import MultipleDispatchError
 
 
 def throw_error(x: Optional[int] = None):
@@ -157,11 +158,11 @@ def test_default_label(self):
         self.assertEqual(plus_one.__name__, n.label)
 
     def test_availability_of_node_function(self):
-        @as_function_node()
+        @as_function_node
         def linear(x):
             return x
 
-        @as_function_node()
+        @as_function_node
         def bilinear(x, y):
             xy = linear.node_function(x) * linear.node_function(y)
             return xy
@@ -315,12 +316,12 @@ def plus_one_hinted(x: int = 0) -> int:
             )
 
     def test_copy_values(self):
-        @as_function_node()
+        @as_function_node
         def reference(x=0, y: int = 0, z: int | float = 0, omega=None, extra_here=None):
             out = 42
             return out
 
-        @as_function_node()
+        @as_function_node
         def all_floats(x=1.1, y=1.1, z=1.1, omega=NOT_DATA, extra_there=None) -> float:
             out = 42.1
             return out
@@ -365,7 +366,7 @@ def all_floats(x=1.1, y=1.1, z=1.1, omega=NOT_DATA, extra_there=None) -> float:
         # Note also that these nodes each have extra channels the other doesn't that
         # are simply ignored
 
-        @as_function_node()
+        @as_function_node
         def extra_channel(x=1, y=1, z=1, not_present=42):
             out = 42
             return out
@@ -493,7 +494,7 @@ def returns_foo() -> Foo:
     def test_void_return(self):
         """Test extensions to the `ScrapesIO` mixin."""
 
-        @as_function_node()
+        @as_function_node
         def NoReturn(x):
             y = x + 1
 
@@ -516,6 +517,39 @@ def test_pickle(self):
             reloaded.outputs.to_value_dict()
         )
 
+    def test_decoration(self):
+        with self.subTest("@as_function_node(*output_labels, ...)"):
+            WithDecoratorSignature = as_function_node("z")(plus_one)
+            self.assertTrue(
+                issubclass(WithDecoratorSignature, Function),
+                msg="Sanity check"
+            )
+            self.assertListEqual(
+                ["z"],
+                list(WithDecoratorSignature.preview_outputs().keys()),
+                msg="Decorator should capture new output label"
+            )
+
+        with self.subTest("@as_function_node"):
+            WithoutDecoratorSignature = as_function_node(plus_one)
+            self.assertTrue(
+                issubclass(WithoutDecoratorSignature, Function),
+                msg="Sanity check"
+            )
+            self.assertListEqual(
+                ["y"],  # "Default" copied here from the function definition return
+                list(WithoutDecoratorSignature.preview_outputs().keys()),
+                msg="Decorator should capture new output label"
+            )
+
+        with self.assertRaises(
+            MultipleDispatchError,
+            msg="This shouldn't be accessible from a regular decorator usage pattern, "
+                "but make sure that mixing-and-matching argument-free calls and calls "
+                "directly providing the wrapped node fail cleanly"
+        ):
+            as_function_node(plus_one, "z")
+
 
 if __name__ == '__main__':
     unittest.main()

tests/unit/nodes/test_macro.py

@@ -539,7 +539,7 @@ def test_storage_for_modified_macros(self):
     def test_output_label_stripping(self):
         """Test extensions to the `ScrapesIO` mixin."""
 
-        @as_macro_node()
+        @as_macro_node
         def OutputScrapedFromFilteredReturn(macro):
             macro.foo = macro.create.standard.UserInput()
             return macro.foo
@@ -554,7 +554,7 @@ def OutputScrapedFromFilteredReturn(macro):
             ValueError,
             msg="Return values with extra dots are not permissible as scraped labels"
         ):
-            @as_macro_node()
+            @as_macro_node
             def ReturnHasDot(macro):
                 macro.foo = macro.create.standard.UserInput()
                 return macro.foo.outputs.user_input

tests/unit/test_workflow.py

@@ -24,7 +24,7 @@ def PlusOne(x: int = 0):
     return x + 1
 
 
-@Workflow.wrap.as_function_node()
+@Workflow.wrap.as_function_node
 def five(sleep_time=0.):
     sleep(sleep_time)
     five = 5