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docs: clarify calculateMW and reportEnzymeUsage docstrings - #461

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edkerk merged 1 commit into
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docs/clarify-calculatemw-and-reportenzymeusage-docstrings
Aug 30, 2026
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docs: clarify calculateMW and reportEnzymeUsage docstrings#461
edkerk merged 1 commit into
develop4from
docs/clarify-calculatemw-and-reportenzymeusage-docstrings

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@edkerk edkerk commented Aug 29, 2026

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Small follow-up to #459 and #460 (both already merged): tightens the
docstrings on the two touched functions so the output is clear to an
end-user without needing to read the implementation.

  • calculateMW: states the unit of the returned molecular weight (Da).
  • reportEnzymeUsage:
    • drops the summary line that just repeated the one-line header
    • rewrites the highCapUsage/topAbsUsage descriptions to be more direct
    • documents that topAbsUsage never lists enzymes with no flux-carrying
      reactions (the behavior added in fix: reportEnzymeUsage skips only fully-inactive enzymes in topAbsUsage #460)
    • fixes the Returns section, which said usageReport : table with summary information even though usageReport is a struct with two
      tables (highCapUsage, topAbsUsage) and a scalar (totalUsageFlux)

No functional changes -- comment/docstring only.

- calculateMW: state the MW unit (Da) explicitly.
- reportEnzymeUsage: remove the redundant repeated summary line, tighten
  the highCapUsage/topAbsUsage descriptions, document that topAbsUsage
  omits enzymes with no flux-carrying reactions, and correct the Returns
  section to describe the actual struct fields (it previously just said
  "table with summary information", but usageReport is a struct with
  two tables and a scalar).
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Unit test results

46 tests   46 ✅  8s ⏱️
 1 suites   0 💤
 1 files     0 ❌

Results for commit f37381d.

@edkerk
edkerk merged commit 2bfe9d7 into develop4 Aug 30, 2026
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@edkerk
edkerk deleted the docs/clarify-calculatemw-and-reportenzymeusage-docstrings branch August 30, 2026 21:41
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