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HydrogenBondAnalysis, and automation (linked to issue #197) #225

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@cadeduckworth cadeduckworth commented Dec 16, 2022

@cadeduckworth cadeduckworth linked an issue Dec 16, 2022 that may be closed by this pull request
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codecov bot commented Dec 16, 2022

Codecov Report

Attention: Patch coverage is 0% with 27 lines in your changes missing coverage. Please review.

Project coverage is 81.31%. Comparing base (4a46ac2) to head (38ffd02).

Files with missing lines Patch % Lines
mdpow/analysis/hbond.py 0.00% 27 Missing ⚠️
Additional details and impacted files
@@             Coverage Diff             @@
##           develop     #225      +/-   ##
===========================================
- Coverage    82.39%   81.31%   -1.09%     
===========================================
  Files           15       16       +1     
  Lines         2017     2044      +27     
  Branches       310      314       +4     
===========================================
  Hits          1662     1662              
- Misses         262      289      +27     
  Partials        93       93              

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@cadeduckworth cadeduckworth changed the title initialize HydrogenBondAnalysis for new PR, link to issue#197 HydrogenBondAnalysis, and automation (linked to issue#197) Jan 10, 2023
@cadeduckworth cadeduckworth changed the title HydrogenBondAnalysis, and automation (linked to issue#197) HydrogenBondAnalysis, and automation (linked to issue #197) Jan 16, 2023
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@cadeduckworth is H-bond analysis something that you'd want to complete for a MDPOW paper?

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Hydrogen Bonding Analysis
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