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Add new default option for Compound.save() #1153

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merged 1 commit into from
Nov 13, 2023

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daico007
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PR Summary:

Address #1152. Add new default option for Compound.save() (None), which will use combining rule from XML.

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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@CalCraven CalCraven left a comment

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LGTM! Thanks Co

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codecov bot commented Nov 13, 2023

Codecov Report

Attention: 1 lines in your changes are missing coverage. Please review.

Comparison is base (b30ceff) 87.19% compared to head (a5ec3e2) 87.18%.

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1153      +/-   ##
==========================================
- Coverage   87.19%   87.18%   -0.02%     
==========================================
  Files          62       62              
  Lines        6490     6492       +2     
==========================================
+ Hits         5659     5660       +1     
- Misses        831      832       +1     
Files Coverage Δ
mbuild/conversion.py 89.69% <50.00%> (-0.12%) ⬇️

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@daico007 daico007 merged commit d81f3a7 into mosdef-hub:main Nov 13, 2023
15 of 17 checks passed
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2 participants