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Move generate_pairs_lists #722

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merged 10 commits into from
May 17, 2023

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daico007
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@daico007 daico007 commented May 4, 2023

Current, there are two generate_pairs_lists (used to generate 1-2, 1-3, 1-4 pairs) in 2 separate places (hoomd converter and top writer) doing the same job. This PR combine the two and move it to utils/connectivity.py to reduce code redundancy and make testing easier.

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codecov bot commented May 4, 2023

Codecov Report

Patch coverage: 98.07% and project coverage change: +0.04 🎉

Comparison is base (0da111c) 92.05% compared to head (a0deee4) 92.10%.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #722      +/-   ##
==========================================
+ Coverage   92.05%   92.10%   +0.04%     
==========================================
  Files          66       66              
  Lines        6357     6370      +13     
==========================================
+ Hits         5852     5867      +15     
+ Misses        505      503       -2     
Impacted Files Coverage Δ
gmso/formats/top.py 88.04% <66.66%> (-0.79%) ⬇️
gmso/external/convert_hoomd.py 92.08% <100.00%> (+0.59%) ⬆️
gmso/utils/connectivity.py 98.38% <100.00%> (+0.68%) ⬆️

... and 1 file with indirect coverage changes

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@daico007 daico007 merged commit 78b0d85 into mosdef-hub:main May 17, 2023
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