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Change syntax to remove ghost ports #995

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merged 6 commits into from
Mar 23, 2022

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daico007
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PR Summary:

Small fix. use self.remove to remove ghost ports. Doing the old way create a mismatch between Compound.available_ports() and Compound.all_ports().

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 Jan 12, 2022

Codecov Report

Merging #995 (261461c) into master (672c316) will increase coverage by 0.00%.
The diff coverage is 100.00%.

@@           Coverage Diff           @@
##           master     #995   +/-   ##
=======================================
  Coverage   90.32%   90.33%           
=======================================
  Files          64       64           
  Lines        8976     8981    +5     
=======================================
+ Hits         8108     8113    +5     
  Misses        868      868           
Impacted Files Coverage Δ
mbuild/compound.py 97.48% <100.00%> (+0.01%) ⬆️

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@justinGilmer
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/azp run

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Azure Pipelines successfully started running 1 pipeline(s).

@justinGilmer
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/azp run

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Azure Pipelines successfully started running 1 pipeline(s).

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@justinGilmer justinGilmer left a comment

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LGTM!

@daico007 daico007 merged commit 2725815 into mosdef-hub:master Mar 23, 2022
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2 participants