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KEGG database, solver tolerance and zero-total f factor as in GECKO - #74

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edkerk merged 3 commits into
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fix/parity-round-4
Oct 31, 2026
Merged

edkerk merged 3 commits into
developfrom
fix/parity-round-4

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@edkerk edkerk commented Oct 30, 2026

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  • make_ec_model reads data/kegg.tsv of the adapter folder when no kegg_db is passed and the file exists, as makeEcModel does. It does not download the file.
  • load_conventional_gem sets the solver tolerance of the model to RAVEN's 1e-9 (raven_toolbox.utils.solver.set_raven_tolerance); models read with load_ec_model get it from the raven-toolbox reader. This needs the raven-toolbox change in CompMetEng/raven-toolbox that adds utils.solver, so this PR passes its tests once that is merged.
  • calculate_f_factor returns NaN with a warning when the total proteome abundance is zero, as calculateFfactor does.

@edkerk
edkerk merged commit 9858210 into develop Oct 31, 2026
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edkerk deleted the fix/parity-round-4 branch October 31, 2026 15:32
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