Merge pull request #547 from pfebrer/nodes_bug

mnt: nodes context settings are no longer a regular input

docs/nodes/nodes_intro.ipynb

@@ -159,7 +159,7 @@
    "id": "62e9a61b",
    "metadata": {},
    "source": [
-    "You can also set a node's special `automatic_recalc` input to `True`. In this way, each time the input is changed, the node will recompute."
+    "A node's context defines how it behaves. One of the context keys is `lazy`, which determines whether the node should be recomputed each time its inputs change. By default it is `True`, which means it waits for its output to be needed. However, it can be set to `False`."
    ]
   },
   {
@@ -169,7 +169,9 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "auto_result = my_sum(2, 5, automatic_recalc=True)\n",
+    "auto_result = my_sum(2, 5)\n",
+    "\n",
+    "auto_result.context.update(lazy=False)\n",
     "    \n",
     "auto_result.get()\n",
     "auto_result.update_inputs(a=8)"
@@ -261,7 +263,8 @@
     "first_val = my_sum(2, 5)\n",
     "# Use the first value to compute our final value, which we want to\n",
     "# automatically recompute when there are changes.\n",
-    "final_val = my_sum(first_val, 5, automatic_recalc=True)\n",
+    "final_val = my_sum(first_val, 5)\n",
+    "final_val.context.update(lazy=False)\n",
     "\n",
     "# Get the value\n",
     "final_val.get()"
@@ -516,14 +519,13 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "@Node.from_func\n",
-    "def alert_change(val: int, automatic_recalc=True):\n",
+    "@Node.from_func(context={\"lazy\": False})\n",
+    "def alert_change(val: int):\n",
     "    print(f\"VALUE CHANGED, it now is {val}\")\n",
     "    \n",
     "# We feed the node that produces the intermediate value into our alert node \n",
     "my_alert = alert_change(result.nodes.first_val)\n",
     "    \n",
-    "    \n",
     "# Now when we update the inputs of the workflow, the node will propagate the information through\n",
     "# our new node.\n",
     "result.update_inputs(a=10)"
@@ -534,7 +536,7 @@
    "id": "7b266dbf",
    "metadata": {},
    "source": [
-    "It sometimes might be useful to provide methods for a workflow. For that case, workflows can also be defined with class syntax, passing the workflow as a static method in the `_workflow` method."
+    "It sometimes might be useful to provide methods for a workflow. For that case, workflows can also be defined with class syntax, passing the workflow as a static method in the `function` method."
    ]
   },
   {
@@ -548,7 +550,7 @@
     "    \n",
     "    # Define the function that runs the workflow, exactly as we did before.\n",
     "    @staticmethod\n",
-    "    def _workflow(a: int, b: int, c: int):\n",
+    "    def function(a: int, b: int, c: int):\n",
     "        first_val = my_sum(a, b)\n",
     "        return my_sum(first_val, c)\n",
     "    \n",
@@ -624,16 +626,6 @@
     "sum_triple.network.visualize(notebook=True, )"
    ]
   },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "b554e051",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "sum_triple.network.to_pyvis(notebook=True)"
-   ]
-  },
   {
    "cell_type": "markdown",
    "id": "21ccbd4c",
@@ -663,7 +655,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "9a5b336b",
+   "id": "39c74b3c",
    "metadata": {},
    "outputs": [],
    "source": []
@@ -685,7 +677,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.9.9"
+   "version": "3.8.12"
   }
  },
  "nbformat": 4,

sisl/nodes/__init__.py

@@ -1,3 +1,3 @@
 from .node import Node
 from .workflow import Workflow
-from .context import lazy_context, set_lazy_computation
+from .context import NodeContext, SISL_NODES_CONTEXT, temporal_context

sisl/nodes/context.py

@@ -1,36 +1,103 @@
 import contextlib
+from collections import ChainMap
+from typing import Any, Union
 
-def set_lazy_computation(nodes: bool = True, workflows: bool = True):
-    """Set the lazy computation mode for nodes and workflows.
+# The main sisl nodes context that all nodes will use by default as their base.
+SISL_NODES_CONTEXT = dict(
+    # Whether the nodes should compute lazily or immediately when inputs are updated.
+    lazy=True,
+    # On initialization, should the node compute? If None, defaults to `lazy`.
+    lazy_init=None,
+    # Debugging options
+    debug=False,
+    debug_show_inputs=False
+)
+
+# Temporal contexts stack. It should not be used directly by users, the aim of this
+# stack is to populate it when context managers are used. This is a chainmap and 
+# not a simple dict because we might have nested context managers.
+_TEMPORAL_CONTEXTS = ChainMap()
+
+class NodeContext(ChainMap):
+    """Extension of Chainmap that always checks on the temporal context first.
     
-    Parameters
-    ----------
-    nodes: bool, optional
-        Whether lazy computation is turned on for nodes.
-    workflows: bool, optional
-        Whether lazy computation is turned on for workflows.
+    Using this class is equivalent to forcing users to have the temporal context
+    always in the first position of the chainmap. Since this is not a very nice
+    thing to force on users, we use this class instead.
+
+    Keys:
+        lazy: bool
+            If `False`, nodes will automatically recompute if any of their inputs 
+            have changed, even if no other node needs their output yet.
+        lazy_init: bool or None
+            Whether the node should compute on initialization. If None, defaults to
+            `lazy`.
+        debug: bool
+            Whether to print debugging information.
+        debug_show_inputs:
+            Whether to print the inputs of the node when debugging.
     """
-    from .node import Node
-    from .workflow import Workflow
 
-    Node._lazy_computation = nodes
-    Workflow._lazy_computation = workflows
+    def __getitem__(self, key: str):
+        if key in _TEMPORAL_CONTEXTS:
+            return _TEMPORAL_CONTEXTS[key]
+        else:
+            return super().__getitem__(key)
 
 @contextlib.contextmanager
-def lazy_context(nodes: bool = True, workflows: bool = True):
-    from .node import Node
-    from .workflow import Workflow
+def temporal_context(context: Union[dict, ChainMap, None] = None, **context_keys: Any):
+    """Sets a context temporarily (until the context manager is exited).
+
+    Parameters
+    ----------
+    context: dict or ChainMap, optional
+        The context that should be updated temporarily. This could for example be
+        sisl's main context or the context of a specific node class.
+        
+        If None, the keys and values are forced on all nodes.  
+    **context_keys: Any
+        The keys and values that should be used for the nodes context.
 
-    old_lazy = {
-        "nodes": Node._lazy_computation,
-        "workflows": Workflow._lazy_computation,
-    }
+    Examples
+    -------
+    Forcing a certain context on all nodes:
 
-    set_lazy_computation(nodes, workflows)
+    >>> from sisl.nodes import temporal_context
+    >>> with temporal_context(lazy=False):
+    >>>     # If a node class is called here, the computation will be performed
+    >>>     # immediately and the result returned.
+
+    Switching off lazy behavior for workflows:
+
+    >>> from sisl.nodes import Workflow, temporal_context
+    >>> with temporal_context(context=Workflow.context, lazy=False):
+    >>>     # If a workflow is called here, the computation will be performed
+    >>>     # immediately and the result returned, unless that specific workflow
+    >>>     # class overwrites the lazy behavior.
+
+    """
+    if context is not None:
+        # We have to temporally update a context dictionary. We keep a copy of the
+        # original context so that we can restore it later.
+        old_context = {k: context[k] for k in context_keys}
+        context.update(context_keys)
+
+        def _restore():
+            # Restore the original context.
+            context.update(old_context)
+    else:
+        # Add this temporal context on top of the temporal contexts stack.
+        _TEMPORAL_CONTEXTS.maps.insert(0, context_keys)
+
+        def _restore():
+            # Remove the temporal context from the stack.
+            del _TEMPORAL_CONTEXTS.maps[0]
+
+    # We have entered the context, execute whatever code is inside the "with" block.
     try:
         yield
+        _restore()
     except Exception as e:
-        set_lazy_computation(**old_lazy)
-        raise e
-
-    set_lazy_computation(**old_lazy)
+        # The block has raised an exception, restore the context and re-raise.
+        _restore()
+        raise e