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feat: keep track of kcat curations

Open edkerk opened this issue 1 year ago • 1 comments

Main improvements in this PR:

  • Features:
    • If sensitivityTuning modifies a kcat value, it will now be indicated in model.ec.source as 'sensitivityTuning', and the previous kcat value and source will be kept in the model.ec.notes field as preTuneKcat=*value* | source:*original source*. If the kcat value had been subjected to senstivityTuning before, then the notes field will remain unchanged, so repeated runs of sensitivityTuning will not overwrite the notes.
  • Fix:
    • By default, the obj.params.uniprot.reviewed parameter in the adapterTemplate is set to false, to increase the number of matching proteins.
    • The model.ec.source entry after running setKcatForReactions has been corrected to 'setKcatForReactions'.
  • Documentation:
    • Update references and add MATLAB badge in README.md.
    • Clarifies the meaning of obj.params.enzyme_comp in model adapter (solves #386)

Instructions on merging this PR:

  • [x] This PR has develop as target branch, and will be resolved with a squash-merge.
  • [ ] This PR has main as target branch, and will be resolved with a merge commit.

edkerk avatar Jul 17 '24 17:07 edkerk

This PR has been automatically tested with GH Actions. Here is the output of the tests:

 
GECKO installed, unknown version (cannot find version.txt).
Running geckoCoreFunctionTests
Done geckoCoreFunctionTests
__________

Note: In the case of multiple test runs, this post will be edited.

github-actions[bot] avatar Jul 17 '24 17:07 github-actions[bot]