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getEnzymeBottlenecks ranks by the re-solved change of the objective - #20
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Unit test results70 tests 70 ✅ 9s ⏱️ Results for commit 84fe193. |
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Enzymes at their usage bound are solved again with the bound raised by
foldChange(default 2, greater than 1) and ranked by the improvement of the objective,objectiveGain; other enzymes have gain 0 without a solve. Ties keep the order ofmodel.ec.enzymes.shadowPricestays as a reference column and does not affect the order, because at a degenerate optimum it depends on the basis.multipleActivemarks an enzyme when another capacity constraint, an enzyme at its bound or the protein pool, is active at the same optimum. The table propertyUserDataholdsnResolvedandactiveConstraints. When no enzyme is at its usage bound, a warning says that no single enzyme limits the objective.The columns are
uniprot, gene, objectiveGain, shadowPrice, flux, capUsage, upperBound, multipleActive.Parity: CompMetEng/raven-gecko-parity#117.