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Slicing will no longer drop the NaN rows #275

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merged 10 commits into from
Dec 5, 2022

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xiki-tempula
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Fix #274
The Pre-processing function slicing will not drop NaN rows.

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codecov bot commented Nov 20, 2022

Codecov Report

Merging #275 (981ac53) into master (03fdc27) will decrease coverage by 0.00%.
The diff coverage is n/a.

@@            Coverage Diff             @@
##           master     #275      +/-   ##
==========================================
- Coverage   98.69%   98.69%   -0.01%     
==========================================
  Files          26       26              
  Lines        1762     1761       -1     
  Branches      379      379              
==========================================
- Hits         1739     1738       -1     
  Misses          3        3              
  Partials       20       20              
Impacted Files Coverage Δ
src/alchemlyb/preprocessing/subsampling.py 100.00% <ø> (ø)

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@xiki-tempula xiki-tempula requested a review from orbeckst December 4, 2022 10:38
@xiki-tempula xiki-tempula force-pushed the feat_NaN branch 2 times, most recently from ded5d1b to 0b1a46b Compare December 4, 2022 20:35
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Not dropping NaN makes sense. We didn't even state that we were doing it so this is a fix to remove undocumented and potentially erroneous behavior.

@orbeckst orbeckst merged commit 079a5b5 into alchemistry:master Dec 5, 2022
@orbeckst orbeckst added this to the 1.0.1 milestone Dec 5, 2022
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jhenin commented Dec 5, 2022

Thank you @xiki-tempula and @orbeckst !

@xiki-tempula xiki-tempula deleted the feat_NaN branch December 6, 2022 10:34
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NAMD - decorrelation and equilibration detection fails in v0.7 and 1.0
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