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@ceriottm ceriottm commented Jan 7, 2026

  • Makes it possible to manipulate the selected structure ID from jupyter
  • Also allows manipulation of multiple viewers grid.
  • Fixes several small-but-nasty corner-case bugs triggered when switching from atom and structure view in hybrid datasets, and simplifies the logic for parameter synchronization, esp. for playbackdelay that was getting disconnected from the actual property value.
  • Adds documentation for the traitlets, that was already missing but is now even more important.

@ceriottm ceriottm requested a review from sofiia-chorna January 8, 2026 07:09
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from my tests, it is working fine, streamlit is all good as well

@ceriottm ceriottm requested a review from sofiia-chorna January 8, 2026 18:07
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some small things i noticed:

  • there is an error in the console for the Chemical Shielding example (but it seems to be working fine anyways)
    dataset.json
Screenshot 2026-01-08 at 20 34 08
  • when we set an id outside the valid range, the info panel is updated with this number. we can live with it but perhaps it is not perfect

@ceriottm ceriottm requested a review from sofiia-chorna January 9, 2026 07:03
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Works fine, streamlit is OK as well, thanks!

const activeAtoms = this.visualizer.indexer.activeAtoms(structure);

if (activeAtoms && activeAtoms.length > 0) {
if (binarySearch(activeAtoms, atom) === -1) {
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why is this a binary search, instead of some standard search on an array?

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it is how all this was already implemented (binarysearch was introduced 4 years ago ^_^) I assumed it was because of the sparsity of the environment array.

@ceriottm ceriottm requested a review from Luthaf January 9, 2026 13:02
@ceriottm ceriottm merged commit 815413d into main Jan 9, 2026
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@ceriottm ceriottm deleted the feature/jupyter_selection branch January 9, 2026 13:49
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4 participants