Implement structure view toggle

[edan-bainglass]

This PR implements a toggleable structure view allowing users to toggle between the initial and relaxed structures in a single panel. Toggle controls are sensitive to the relaxation state (not relaxed, relaxing, relaxed):

• Not relaxed: no toggle button
• Relaxing: toggle button disabled until done, with responsive tooltip
• Relaxed: active toggle button

Clicking the toggle button will update the title, toggle description, and structure view, info, and coordinates table.

[superstar54]

Hi @edan-bainglass , thanks for the work, but I don't fully understand the PR's purpose from the description. Could you add a more detailed description of the functionality?

[edan-bainglass]

Hi @edan-bainglass , thanks for the work, but I don't fully understand the PR's purpose from the description. Could you add a more detailed description of the functionality?

Is it clearer now?

[AndresOrtegaGuerrero]

I believe we should address issue #530, as switching between images may not clearly reflect changes in the structure, or at least make those changes easy to distinguish.

[superstar54]

switching between images may not clearly reflect changes in the structure, or at least make those changes easy to distinguish.

agree, it would be good to use animation of trajectory. Both nglview and weas-wdiget support animation.

[edan-bainglass]

switching between images may not clearly reflect changes in the structure, or at least make those changes easy to distinguish.

agree, it would be good to use animation of trajectory. Both nglview and weas-wdiget support animation.

Sounds like a plan for the next release (future PR) 👍

[codecov]

Codecov Report

Attention: Patch coverage is 94.93671% with 4 lines in your changes missing coverage. Please review.

Project coverage is 69.66%. Comparing base (f80ae9a) to head (1aba62b).
Report is 1 commits behind head on main.

Files with missing lines	Patch %	Lines
...pp/result/components/viewer/structure/structure.py	88.23%	4 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #1074      +/-   ##
==========================================
+ Coverage   69.11%   69.66%   +0.55%     
==========================================
  Files         113      113              
  Lines        6764     6805      +41     
==========================================
+ Hits         4675     4741      +66     
+ Misses       2089     2064      -25     

Flag	Coverage Δ
python-3.11	69.66% <94.93%> (+0.56%)	⬆️
python-3.9	69.68% <94.93%> (+0.55%)	⬆️

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[edan-bainglass]

@AndresOrtegaGuerrero can we get this approved? 🙏

[AndresOrtegaGuerrero]

I would prefer focusing on resolving #530, I believe it is not intuitive for the user to observe any changes with the current approach.

[edan-bainglass]

I would prefer focusing on resolving #530, I believe it is not intuitive for the user to observe any changes with the current approach.

This toggle feature was a request by Giovanni and Carlo. It is self-contained and does not take away from our ability to address #530 in the near future. Also, the text for the guide PR depends on this PR.

[AndresOrtegaGuerrero]

current approach.

This toggle feature was a request by Giovanni and Carlo. It is self-contained and does not take away from our ability to address #530 in the near future. Also, the text for the guide PR depends on this PR.

Sure, i would suggest you tag Carlo or Giovanni for some input on the visuals, from my side the current is fine.

[edan-bainglass]

current approach.

This toggle feature was a request by Giovanni and Carlo. It is self-contained and does not take away from our ability to address #530 in the near future. Also, the text for the guide PR depends on this PR.

Sure, i would suggest you tag Carlo or Giovanni for some input on the visuals, from my side the current is fine.

@cpignedoli @giovannipizzi can I get a presentation review? Is this what you had in mind?

structure_view.mp4

[giovannipizzi]

Very good!