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Phase 7: comparison against the published results - #9

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edkerk merged 3 commits into
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feat/py-phase7-comparison
Sep 25, 2026
Merged

edkerk merged 3 commits into
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feat/py-phase7-comparison

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@edkerk edkerk commented Sep 20, 2026 •

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Last of the series, stacked on #8. Regenerates every side-by-side table this
port has been quoting, from the committed MATLAB outputs, so the comparison is
reproducible rather than asserted in a PR description.

python -m overflow.compare

Writes results/COMPARISON.md with three sections:

  • Exchange rates — measured, GECKO 2 and GECKO 4, with the relative
    residual over glucose, CO2 and oxygen.
  • Median capacity usage per system — the enzyme usage summary.
  • Sampled ATP and redox budget — the rows of selectedFluxes.

Each section appears only if the corresponding results are present, so it works
on a partial run.

One thing worth a test

GECKO 2 splits reversible reactions, so its glucose uptake is a positive flux on
r_1714_REV while this pipeline has a negative flux on r_1714. Comparing them
unsigned is the point of the module, and a test feeds it the legacy fluxes
reshaped as new ones and requires both columns to agree — which catches reading
either format wrongly.

Also

README covers the build options, the sampled budget, the order the steps run in,
and the test markers. 188 tests in this branch.

Regenerates every side-by-side table from the committed MATLAB outputs,
so the comparison is reproducible rather than quoted.

Uptakes are compared unsigned: GECKO 2 splits reversible reactions, so
its glucose uptake is a positive flux on r_1714_REV where this pipeline
has a negative flux on r_1714.
@edkerk
edkerk force-pushed the feat/py-phase6-sampling branch from 3cd51e1 to 4c90c01 Compare September 25, 2026 11:33
@edkerk
edkerk force-pushed the feat/py-phase7-comparison branch from aa60824 to bb6ad0a Compare September 25, 2026 11:33
@edkerk
edkerk changed the base branch from feat/py-phase6-sampling to master September 25, 2026 13:12
@edkerk
edkerk merged commit 27c4280 into master Sep 25, 2026
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