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ec.source: one format, one parser and a record of tuning - #32

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Nov 12, 2026
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@edkerk edkerk commented Nov 8, 2026

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parseKcatSource and formatKcatSource read and write the provenance text of ec.source, <origin>[ (<detail>)][ | tuned=<method>[+<method>...] (prior=<value>)], for example brenda (wc=0, origin=2) | tuned=cmaes (prior=6.55). Every writer builds its text with the formatter, and the readers use the parsed origin, so a source with a detail or a tuning status is recognised.

  • setKcatForReactions writes the origin manual (it wrote setKcatForReactions) and drops any tuning status.
  • sensitivityTuning and cmaesKcatTuning keep the origin and detail of every kcat they change and add the method (sensitivity, cmaes) to its tuning status, with the kcat before the first tuning as prior. sensitivityTuning no longer writes the old kcat and source into ec.notes.
  • getStandardKcat and removeStandardKcat keep a standard row that has a tuning status.
  • The text of every other writer is unchanged.

Part of raven-gecko-parity#151.

parseKcatSource and formatKcatSource read and write <origin>[ (<detail>)][ | tuned=<methods> (prior=<value>)]. The writers build their strings with the formatter and the readers use the parsed origin. setKcatForReactions writes manual. sensitivityTuning and cmaesKcatTuning keep the origin and detail and add the tuning method, with the kcat before the first tuning as prior, and sensitivityTuning no longer writes the old source into ec.notes. A standard row with a tuning status is kept by getStandardKcat and removeStandardKcat.
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Unit test results

74 tests   74 ✅  10s ⏱️
 1 suites   0 💤
 1 files     0 ❌

Results for commit da57444.

@edkerk
edkerk merged commit 6bb920d into develop Nov 12, 2026
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@edkerk
edkerk deleted the feat/ec-source-format branch November 12, 2026 13:29
edkerk added a commit to CompMetEng/gecko-docs that referenced this pull request Nov 12, 2026
Describes the provenance entries of `ec.source` (`<origin>[ (<detail>)][
| tuned=<method>[+<method>...] (prior=<value>)]`), the tuning status,
and `parseKcatSource` and `formatKcatSource` (Python `parse_kcat_source`
and `format_kcat_source`), with `manual` for `setKcatForReactions`. The
pages on applying kcats, growth-rate tuning and tuning against
experimental data describe `manual`, the tuning status and the origin
that the trust tiers use. Applies after the release that contains
[GECKO#32](CompMetEng/GECKO#32) and
[geckopy#91](CompMetEng/geckopy#91).
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