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Added plot_atoms() method. #144

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merged 5 commits into from
Mar 19, 2024
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dignojrteogalbo
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Closes #132, #131

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Added the plot_atoms() method which takes a Cube object. You can override the existing dictionaries for atom size and atom color.

Testing

  • Run ./build.sh to create the virtual environment. (No new dependencies have been installed).
  • Open GoVizzy.ipynb using the Python kernel from the virtual environment
  • Execute the import cell. (Verify that meshes is imported from GoVizzy).
    image
  • Execute the cell performing plot_atoms().
    image
  • Verify the output widget contains both a mesh (sphere surface) and the volume.
    image

@dignojrteogalbo dignojrteogalbo self-assigned this Mar 16, 2024
@dignojrteogalbo dignojrteogalbo linked an issue Mar 16, 2024 that may be closed by this pull request
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@dignojrteogalbo dignojrteogalbo mentioned this pull request Mar 16, 2024
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@BraydenThompson BraydenThompson left a comment

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Looks great! Thanks for figuring this out!

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@ryliewalsh ryliewalsh left a comment

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Works and looks good!

@dignojrteogalbo dignojrteogalbo merged commit 5226606 into main Mar 19, 2024
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@dignojrteogalbo dignojrteogalbo deleted the 132-position-atom-in-graph branch March 19, 2024 20:26
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Position Atom in Graph
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