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Initial pass at eflux3 method, adding necessary util files #28

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@mcnaughtonadm mcnaughtonadm commented Sep 14, 2024

Closes #24

This pull request adds the following:

  • eflux3 method to run all steps of the eflux3 algorithm
  • Tests for the eflux3 method
  • Utility method to load in a cobrapy model in different formats
  • Test for additional utility method
  • Typing fixes for the various eflux3 methods

@mcnaughtonadm mcnaughtonadm linked an issue Sep 14, 2024 that may be closed by this pull request
@mcnaughtonadm mcnaughtonadm self-assigned this Sep 14, 2024
@mcnaughtonadm mcnaughtonadm added the enhancement New feature or request label Sep 14, 2024
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Test for eflux3 fails right now, working on clarifying the test.

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Some assumptions about the workflow:

  • User has the cobra model they want in the form they want (removed reactions, objective value set, etc.)

either:

  • User provides transcriptomics data that matches the gene names listed in the cobra model as a dataframe such that the column containing the transcript label set as the index.
    or
  • User provides proteomics data that matches the bigg reaction name in the cobra model as a dataframe such that the column Reaction_ID set as the index.

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