alchemistry / alchemlyb

the simple alchemistry library
https://alchemlyb.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Raise Exception when no file has been matched in ABFE workflow #289

Closed xiki-tempula closed 1 year ago

xiki-tempula commented 1 year ago

Related to https://github.com/alchemistry/flamel/issues/24. I noticed that when no file has been matched by the directory, prefix and suffix, no useful error message is being displayed. This PR should fix this issue.

codecov[bot] commented 1 year ago

Codecov Report

Merging #289 (2fc4b34) into master (8e9c317) will increase coverage by 0.00%. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##           master     #289   +/-   ##
=======================================
  Coverage   98.70%   98.70%           
=======================================
  Files          26       26           
  Lines        1774     1777    +3     
  Branches      381      382    +1     
=======================================
+ Hits         1751     1754    +3     
  Misses          3        3           
  Partials       20       20           
Impacted Files Coverage Δ
src/alchemlyb/workflows/abfe.py 99.66% <100.00%> (+<0.01%) :arrow_up:

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