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Add Contacts within cutoff widget - #60

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PardhavMaradani merged 1 commit into
MDAnalysis:mainfrom
PardhavMaradani:add-contacts-within-cutoff-widget
Aug 9, 2026
Merged

Add Contacts within cutoff widget#60
PardhavMaradani merged 1 commit into
MDAnalysis:mainfrom
PardhavMaradani:add-contacts-within-cutoff-widget

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@PardhavMaradani

@PardhavMaradani PardhavMaradani commented Aug 9, 2026

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Changes made in this Pull Request:

  • Added Contacts within cutoff widget using capped_distance

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

Hi @orbeckst, @jeremyleung521, @amruthesht, @HeydenLabASU,

This widget is based on Contact analysis: number of contacts within a cutoff from MDAnalysis docs. This widget however uses MDAnalysis.lib.distances.capped_distance instead of contacts.distance_array for better performance.

Here is an example:

image

Thanks

@read-the-docs-community

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@codecov

codecov Bot commented Aug 9, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 100.00%. Comparing base (c1f133c) to head (8e3ebdd).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files
Components Coverage Δ
frontend 100.00% <ø> (ø)
backend 100.00% <100.00%> (ø)
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@PardhavMaradani
PardhavMaradani merged commit c9af408 into MDAnalysis:main Aug 9, 2026
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@PardhavMaradani
PardhavMaradani deleted the add-contacts-within-cutoff-widget branch August 9, 2026 04:11
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