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alchemistry / alchemlyb

the simple alchemistry library
https://alchemlyb.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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ValueError will be raised if concatenated amber output file has been ingested #326

Closed xiki-tempula closed 1 year ago

xiki-tempula commented 1 year ago

Fix #315

codecov[bot] commented 1 year ago

Codecov Report

Merging #326 (254f8bb) into master (1ff15fe) will increase coverage by 0.00%. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##           master     #326   +/-   ##
=======================================
  Coverage   98.76%   98.76%           
=======================================
  Files          27       27           
  Lines        1775     1778    +3     
  Branches      389      391    +2     
=======================================
+ Hits         1753     1756    +3     
  Misses          2        2           
  Partials       20       20
Impacted Files Coverage Δ
src/alchemlyb/parsing/amber.py 99.16% <100.00%> (+0.01%) :arrow_up:
xiki-tempula commented 1 year ago

@DrDomenicoMarson Do you mind have a review of this PR as well, please? Thank you.

xiki-tempula commented 1 year ago

@orbeckst Sorry for rushing you. I wonder if it is possible to have a review of this PR? My plan is to merge this PR test a bit and then do the release next weekend.

xiki-tempula commented 1 year ago

Merge this as it has been approved by @DrDomenicoMarson and I kind of need to make a release for the company quarterly release.