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@CalCraven CalCraven commented Sep 12, 2025

PR Summary:

This PR looks to extend the types and classes definitions in a gmso XML to enable matching for wildcards defined in bond and angle types. This has been a feature that was already present in dihedrals, and as such should be extended to other connections to account for forcefield definitions such as Dreiding.

PR Checklist


  • Includes appropriate unit test(s)
  • Appropriate docstring(s) are added/updated
  • Code is (approximately) PEP8 compliant
  • Issue(s) raised/addressed?

@CalCraven CalCraven force-pushed the wild-card-bonds-atoms branch from 306fb85 to 7128362 Compare September 16, 2025 16:09
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codecov bot commented Sep 16, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 94.16%. Comparing base (aa0dbe0) to head (6d80bba).

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #924   +/-   ##
=======================================
  Coverage   94.16%   94.16%           
=======================================
  Files          67       67           
  Lines        7536     7572   +36     
=======================================
+ Hits         7096     7130   +34     
- Misses        440      442    +2     

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@chrisjonesBSU chrisjonesBSU left a comment

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LGTM!

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2 participants