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Clarify error in applying forcefield #549

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merged 2 commits into from May 16, 2024
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jaclark5
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PR Summary:

Slight change in error string to provide guidance to a user on how to resolve it.

PR Checklist


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

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codecov bot commented Nov 28, 2023

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 69.55%. Comparing base (cbbc4c8) to head (39c137f).
Report is 13 commits behind head on main.

❗ Current head 39c137f differs from pull request most recent head 10a521d. Consider uploading reports for the commit 10a521d to get more accurate results

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #549   +/-   ##
=======================================
  Coverage   69.55%   69.55%           
=======================================
  Files          16       16           
  Lines        1662     1662           
=======================================
  Hits         1156     1156           
  Misses        506      506           

foyer/atomtyper.py Outdated Show resolved Hide resolved
Co-authored-by: CalCraven <54594941+CalCraven@users.noreply.github.com>
@daico007 daico007 merged commit 6939db1 into mosdef-hub:main May 16, 2024
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3 participants