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Implement constant but relaxation-dependent structure results panel #1015

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edan-bainglass
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@edan-bainglass edan-bainglass commented Dec 22, 2024

This PR implements a structure results panel that is always shown. The tab title and source node are dependent on the nature of the calculation as follows:

  • No relaxation - title = "Initial structure"; source = node.inputs.structure
  • Some relaxation - title = "Relaxed structure"; source = node.outputs.structure

Auto rendering is adjusted to ensure the initial structure panel is not dependent on having results (there are none) but instead is always auto rendered.

Closes #993

@edan-bainglass edan-bainglass self-assigned this Dec 22, 2024
@edan-bainglass edan-bainglass force-pushed the always-show-structure-results-panel branch from a3313c1 to c28bbb9 Compare December 22, 2024 13:23
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codecov bot commented Dec 22, 2024

Codecov Report

Attention: Patch coverage is 76.92308% with 6 lines in your changes missing coverage. Please review.

Project coverage is 69.03%. Comparing base (acf4fdb) to head (89ae413).
Report is 2 commits behind head on main.

Files with missing lines Patch % Lines
...qe/app/result/components/viewer/structure/model.py 66.66% 4 Missing ⚠️
...pp/result/components/viewer/structure/structure.py 33.33% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1015      +/-   ##
==========================================
- Coverage   69.19%   69.03%   -0.16%     
==========================================
  Files         117      117              
  Lines        6508     6507       -1     
==========================================
- Hits         4503     4492      -11     
- Misses       2005     2015      +10     
Flag Coverage Δ
python-3.11 69.03% <76.92%> (-0.16%) ⬇️
python-3.9 69.05% <76.92%> (-0.15%) ⬇️

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@edan-bainglass edan-bainglass force-pushed the always-show-structure-results-panel branch 2 times, most recently from 3d9f458 to 73a49f2 Compare December 23, 2024 14:52
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@superstar54 superstar54 left a comment

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LGTM!

@edan-bainglass edan-bainglass force-pushed the always-show-structure-results-panel branch from 73a49f2 to 89ae413 Compare December 24, 2024 09:07
@edan-bainglass edan-bainglass merged commit 771f408 into aiidalab:main Dec 24, 2024
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Successfully merging this pull request may close these issues.

If you don't relax the structure, show a tab "Initial structure"
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