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Add check for compatible cells in cosym output #2526

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@jbeilstenedmands jbeilstenedmands commented Oct 18, 2023

Fixes #2234

A suggestion that I welcome discussion on.

Should we explicity check and raise a RuntimeError when the cosym procedure has incorrectly reindexed the unit cells to be incompatible with each other?
Avoids silent continuation when there is an issue, but may make some datasets unprocessable 🤔
Maybe this can be merged in when we think we have addresed #2486

Bonus points as this makes one of our cosym command line tests fail due to incompatible cells.

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codecov bot commented Oct 18, 2023

Codecov Report

Merging #2526 (fcb9b1c) into main (490f4f7) will increase coverage by 11.89%.
Report is 27 commits behind head on main.
The diff coverage is n/a.

❗ Current head fcb9b1c differs from pull request most recent head 4ca7e64. Consider uploading reports for the commit 4ca7e64 to get more accurate results

Additional details and impacted files
@@             Coverage Diff             @@
##             main    #2526       +/-   ##
===========================================
+ Coverage   78.79%   90.68%   +11.89%     
===========================================
  Files         609      282      -327     
  Lines       74609    25617    -48992     
  Branches    10608     2288     -8320     
===========================================
- Hits        58790    23232    -35558     
+ Misses      13644     2278    -11366     
+ Partials     2175      107     -2068     

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dials.scale: should stop if incompatible input
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