GECKO
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fuzzyKcatMatching: refactoring of BRENDA-based approach
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Description of the new feature:
Instead of having GECKO's fuzzy matching approach directly modify the stoichiometric coefficients in the model, let it populate the model.kcat structure introduced in #156.
- [ ] Use the
model.ec.kcatstructure as input formatchKcats, instead of the output fromgetEnzymeCodes - [ ] Instead of
matchKcatsalways doing fuzzy matching, also have an option to only report (near-)precise matches. - [ ] Do not have
readKcatDatato directly modify the stoichiometric coefficients, but instead write kcat values into themodel.ec.kcatstructure. Instead,applyKcatConstraintscan modify the S-matrix for selected reactions (withupdateRxnsflag).