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getEnzymeUsage: demand ratio of the usage over the measured concentrations - #29

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edkerk merged 1 commit into
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feat/usage-demand-ratio
Nov 3, 2026
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edkerk merged 1 commit into
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feat/usage-demand-ratio

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@edkerk edkerk commented Nov 3, 2026

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getEnzymeUsage adds measuredProtein, demandedProtein and demandRatio: the protein that the solution uses of the enzymes with a measured concentration in ec.concs, divided by their measured concentrations. A ratio above 1 means that the solution uses more of the measured enzymes than was measured, which happens when the usage bounds are above the measurements, for instance after flexibilizeEnzConcs. A ratio at or below 1 does not exclude that a single enzyme exceeds its measurement; capUsage gives the ratio per enzyme. measuredProteinActive and demandRatioActive restrict the two values to the enzymes with a usage above 1e-7 mg/gDCW, since measured enzymes that are inactive in the solution raise the measured total. Enzymes without a measured concentration draw from the protein pool and are not counted. An ec.concs that is missing or shorter than ec.enzymes counts as unmeasured. reportEnzymeUsage returns demandRatio and demandRatioActive, and NaN when its usageData has no demandRatio field. See raven-gecko-parity#118.

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Unit test results

74 tests   74 ✅  13s ⏱️
 1 suites   0 💤
 1 files     0 ❌

Results for commit 3f00aaa.

@edkerk
edkerk merged commit e3e5078 into develop Nov 3, 2026
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edkerk deleted the feat/usage-demand-ratio branch November 3, 2026 16:38
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