Fix map_peaks aborting on the first unmapped compound

[gchure]

Summary

This PR addresses #23. Chromatogram.map_peaks() stopped mapping as soon as it hit a requested compound with no peak within loc_tolerance. Because the loop used break, every compound listed after the missing one was silently skipped — and if the first compound was the missing one, mapper stayed empty and the method raised ValueError("No peaks could be properly mapped!") even when all the other compounds were present in the chromatogram.

This was reported in #23 with a reproducing example.

Root cause

In map_peaks (hplc/quant.py), the "no peak found" branch exited the whole loop:

if np.sum(peak_id) == 0:
    unmapped[k] = v["retention_time"]
    break          # <-- skips every remaining compound

Fix

Change break to continue so each present compound is mapped and each absent compound still records an entry in unmapped and emits its warning.

Tests

• Adds a regression test where a missing compound precedes valid ones and asserts the valid compounds are still mapped. (Fails on main, passes here.)
• Full suite green.

Risk

Minimal — single-token logic change endorsed by the reporter and maintainer in #23. Existing test_map_peaks continues to pass (its missing-compound case is last in the dict, so it was unaffected by the original bug).

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 97.12%. Comparing base (391f9ee) to head (93a69be).

Additional details and impacted files

@@           Coverage Diff           @@
##             main      #26   +/-   ##
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  Coverage   97.12%   97.12%           
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  Files           3        3           
  Lines         556      556           
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  Hits          540      540           
  Misses         16       16           

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