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Tests for constraint-based metabolic models

Home Page: https://lcsb-biocore.github.io/FBCModelTests.jl/stable/

License: Apache License 2.0

Julia 98.10% Shell 1.90%

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fbcmodeltests.jl's Issues

usability questions

Thanks for putting together these test suites, very nice work!
I have some usability questions (possibly issues):

A) Minor: it's unclear what model formats are accepted, since it's just a string of the model file. The example points to json, which is not what I would have expected.

B) Minor: it's unclear to me why there is the need to have 3 different docker images instead of one. As a user, I'd prefer to have one image that includes all everything (including dependencies), and pass different commands to it with docker run.

C) Major: I can't seem to run the Memote-style test on yeast-GEM:

FBCModelTests.Memote.generate_report("yeast-GEM.mat", Tulip.Optimizer)

since it ends up in an infinite loop that prints:

^C┌ Warning: Increase regularizations to 1.4901161193847656e-6
└ @ Tulip ~/.julia/packages/Tulip/SRdil/src/IPM/HSD/step.jl:47

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Group FVA in tests

Right now many tests call fva internally. This is quite wasteful since it is an expensive operation. If possible, rewrite those tests to share the results of a single fva.

Change default `ignored_reactions` to use SBO terms

Currently looks_like is used to identify biomass and exchange reactions (usually not balanced). This is not robust, SBO terms should be used instead. Functions like is_biomass_reaction and is_exchange_reaction implement SBO matching in COBREXA, use that here.

parallelization params to run-frog

While trying to run fbcmodeltests-run-frog via Docker on Human-GEM, it took way too many hours to compute with the default settings, so I tried for a little to manually add workers and failed. It would be great to allow passing of parallelization params to run-frog, since the underlying function FROG.generate_report already has support for it.

Ensure memote-style tests work with most of the recognized namespaces by default

Many of the config structs have dictionaries like

Dict(
        "trp__L" => "trp__L_c", 
        "cys__L" => "cys__L_c",
...
)

that map standard ids to namespace specific ids (in this case bigg). Change this to something like

Dict(
        "trp__L" => ["trp__L_c", "MNXM741553", "chebi:57912", ...], 
...
)

and modify the checking functions to make the default behavior more robust.

Implement all memote-style tests

Let's implement all the memote tests:

  • Consistency
  • Basic information
  • Metabolite information
  • Reaction Information
  • GPR associations
  • Biomass
  • Energy
  • Network topology
  • Matrix conditioning
  • Reaction annotations
  • Gene annotations
  • Metabolite annotations

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