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revised load_xyz function #1140

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merged 3 commits into from
Aug 5, 2023
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chrisiacovella
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@chrisiacovella chrisiacovella commented Aug 5, 2023

PR Summary:

This addresses issue #1139 . Loading of xyz files did not see the prior changes to adding multiple compounds as a single list, rather than one at a time.

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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@daico007 daico007 left a comment

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LGTM! Will merge after all test passes.

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codecov bot commented Aug 5, 2023

Codecov Report

Patch coverage: 100.00% and no project coverage change.

Comparison is base (b4836ae) 87.11% compared to head (3aa8410) 87.12%.

Additional details and impacted files
@@           Coverage Diff           @@
##             main    #1140   +/-   ##
=======================================
  Coverage   87.11%   87.12%           
=======================================
  Files          62       62           
  Lines        6451     6455    +4     
=======================================
+ Hits         5620     5624    +4     
  Misses        831      831           
Files Changed Coverage Δ
mbuild/formats/xyz.py 100.00% <100.00%> (ø)
mbuild/packing.py 95.25% <100.00%> (+0.03%) ⬆️

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@chrisiacovella
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All tests successfully passed. Looks like we are good to merge.

@daico007 daico007 merged commit c5872e7 into mosdef-hub:main Aug 5, 2023
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2 participants