alchemistry / alchemlyb

the simple alchemistry library
https://alchemlyb.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Make output directory when it didn't exist for workflow #290

Closed xiki-tempula closed 1 year ago

xiki-tempula commented 1 year ago

In https://github.com/alchemistry/flamel/issues/24, it is reported that when the output directory didn't exist, the flow will crash. This PR make it that if the output directory didn't exist, it will be created.

codecov[bot] commented 1 year ago

Codecov Report

Merging #290 (883c4df) into master (a893769) will increase coverage by 0.00%. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##           master     #290   +/-   ##
=======================================
  Coverage   98.69%   98.70%           
=======================================
  Files          26       26           
  Lines        1765     1774    +9     
  Branches      380      381    +1     
=======================================
+ Hits         1742     1751    +9     
  Misses          3        3           
  Partials       20       20           
Impacted Files Coverage Δ
src/alchemlyb/workflows/abfe.py 99.66% <100.00%> (-0.01%) :arrow_down:
src/alchemlyb/workflows/base.py 100.00% <100.00%> (ø)

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