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Fix bug related to get_boundingbox() #1059

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merged 3 commits into from
Nov 29, 2022

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daico007
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@daico007 daico007 commented Nov 7, 2022

PR Summary:

Fix bug related to get_boundingbox() when compound is in near-planar shape by defining tolerance when detecting missing dimension. Fix bug reported by Maxim in the dev channel.

PR Checklist


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

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codecov bot commented Nov 8, 2022

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 90.56%. Comparing base (846e18e) to head (cc3b343).
Report is 143 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1059      +/-   ##
==========================================
+ Coverage   88.68%   90.56%   +1.87%     
==========================================
  Files          60       60              
  Lines        8406     8406              
==========================================
+ Hits         7455     7613     +158     
+ Misses        951      793     -158     

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@daico007 daico007 merged commit 671572f into mosdef-hub:main Nov 29, 2022
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