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pyironFlow

Visual Programming Interface

The visual programmming interface pyironflow or PyironFlow is a gui skin based on ReactFlow that currently works on top of pyiron_workflow. Theoretically, one could currently pack pyiron_base jobs into nodes for execution. The gui could also be extended to pack the workflow graph (extracted from the gui using get_workflow()) into a pyiron_base job for execution. An existing code-based workflow graph can be packed into the gui using PyironFlow([wf]) where wf is the existing graph.

User guide can be found here.

Installation

conda install -c conda-forge pyironflow

Recommended to be used with JupyterLab: conda install -c conda-forge jupyterlab

Example of a multiscale simulation

Problem definition:

atomistics_to_continuum

Constructing the workflow:

select_nodes

Execution:

view_output

Viewing source code:

view_source

Visualization of FEM meshes using PyVista:

visualize_mesh

Atomistic sub-workflow:

atomistic_part

Continuum sub-workflow:

continuum_part

Planned/desired/in-development features

  • Dynamically add nodes from the notebook to the node library (currently being polished by Julius Mittler)
  • Dynamically make macros from the gui using a box selection and add them to the node library (currently in development by Julius Mittler)
  • Automatic positioning of nodes in a nice way on (re-)instantiation (current positioning is passable, but room for improvement exists)
  • Caching based on a hash-based storage. Currently caching does not work at all in the gui since the workflow graph is reinstantiated everytime there's a change in the gui. This could be theoretically fixed by comparing the dictionary of the existing workflow to the new dictionary from the gui. But this would be a painstaking process and easily broken. A better way would be to work with a hash-based storage which would reload outputs when the inputs of a node have not changed. However this would have to be implemented in pyiron_workflow and not in the gui side of things.
  • Edit the source code of nodes from within the gui. Maybe something that uses the FileReader api. Need to look into this further.

See the demo.ipynb jupyter notebook for brief discussion of the key ideas, the link to pyiron_workflows and a few toy application of the xyflow project.

Binder

Release files for pyironflow 0.1.0

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for pyironflow 0.1.0
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Table of built distributions (wheels) for pyironflow 0.1.0
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pyironflow-0.1.0-py3-none-any.whl Python 3 none any Details

Total release size: 1.2 MB

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