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Add a doc example for workflow inputs and outputs #675

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merged 9 commits into from
Jun 5, 2023
Merged

Add a doc example for workflow inputs and outputs #675

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1796f7b
Add a doc example for workflow inputs and outputs
liamhuber May 10, 2023
819c543
Merge branch 'main' into extend_workflow_docs
liamhuber May 16, 2023
b98f484
Merge branch 'main' into extend_workflow_docs
liamhuber May 23, 2023
ebbe2e2
Merge branch 'main' into extend_workflow_docs
liamhuber May 23, 2023
7fe36a5
Merge branch 'main' into extend_workflow_docs
liamhuber May 24, 2023
0282257
Update workflow docs for most recent functionality of the Workflow
liamhuber May 24, 2023
6025415
Slide the IO example up
liamhuber May 24, 2023
7962a25
Smooth transition
liamhuber May 24, 2023
3123381
Add TODO
liamhuber May 24, 2023
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8 changes: 8 additions & 0 deletions pyiron_contrib/workflow/workflow.py
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Expand Up @@ -98,6 +98,14 @@ class Workflow(HasToDict):
... y=wf.calc.outputs.temperature
... )

The unconnected inputs and outputs of nodes belonging to a workflow can be
accessed directly via the node, or right from the workflow by combining the
node and channel labels thanks to a convenience-wrapper. Continuing the above
example, we could write...
>>> wf.structure.inputs.element = "Ni"
>>> print(type(wf.outputs.plot_fig.value))
<class 'matplotlib.collections.PathCollection'>


TODO: Workflows can be serialized.

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