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Also depict (CX)SMILES for chemical classes #2320

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merged 2 commits into from
Oct 20, 2023

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@egonw egonw commented Jul 28, 2023

Fixes that the 'chemical-class' aspect did not show SMILES, even tho SMILES and CXSMILES can be given and can be depicted.

Description

Now also shows (CX)SMILES in the chemical-class aspect:

image

Caveats

Functionality that already existed for the chemical aspect and is just ported here.

  • Breaking change (fix or feature that would cause existing functionality to not work as expected)
  • This change requires a documentation update
    • I have made corresponding changes to the documentation
  • This change requires new dependencies (please list)

If you make changes to the Python code

  • My code passes the tox check, I can receive warnings about tests, documentation or both

Testing

Checklist

  • I have commented my code, particularly in hard-to-understand areas
  • My changes generate no new warnings
  • I have not used code from external sources without attribution
  • I have considered accessibility in my implementation
  • There are no remaining debug statements (print, console.log, ...)

@egonw egonw marked this pull request as ready for review July 28, 2023 14:06
fnielsen added a commit that referenced this pull request Oct 20, 2023
@fnielsen fnielsen merged commit 2b33517 into WDscholia:master Oct 20, 2023
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2 participants