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v0.10.11

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@haeussma haeussma released this 13 Sep 13:58
· 1 commit to main since this release
v0.10.11
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Learn about vigilant mode.

Patch release with two bug fixes found on real Shimadzu data.

Fixes

  • values passed to Handler.read_* now follow the files in numeric file-name order (#51). Reaction times or concentrations given as values=[...] were zipped onto file paths sorted as text, so sample_10.38min.txt came before sample_2.88min.txt and the time course was silently scrambled. Every reader now sorts with one natural-sort key (numbers inside names compared as numbers).
    Behaviour change: anyone who passed values in text order of their file names gets a different, now correct, pairing. Zero-padded or single-digit names are unaffected.
  • Handler.add_standard works with several molecules on one calibration handler (#52, fixes #14). It collected the areas of every assigned peak instead of only the molecule's own, and failed with "Number of peak areas 2N and concentrations N do not match".

CI

  • The test step runs under PYTHONUTF8=1 so calipytion's emoji output survives the Windows console.
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