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fix: getBlast, importModel, replaceMets, ravenCobraWrapper / feat: getIndexes #551

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merged 15 commits into from
Jul 17, 2024

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@edkerk edkerk commented Jun 26, 2024

Main improvements in this PR:

  • fix:
    • ravenCobraWrapper handle empty rxnReferences from COBRA => RAVEN
    • replaceMets should not contract the whole model, only for the replaced metabolites
    • getBlast can handle paths containing spaces, or makes a custom temp path if required (solves Blast+ in RAVEN #506)
    • importModel with empty confidenceScores entries
    • constructS avoid warning about "Colon operands must be real scalars"
    • randomSampling should output the solutions as full matrix, as sparse matrices occassionally acts weird when using functions like mean
  • feature:
    • getIndexes supports ecenzymes, ecrxns and ecgenes types, to query GECKO3 model.ec fields
  • refactor:
    • speedup readYAMLmodel

Instructions on merging this PR:

  • 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.

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github-actions bot commented Jun 26, 2024

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

 > Installation type                    Advanced (via git)
> Installing from location /home/m/actions-runner/_work/RAVEN/RAVEN
> Checking RAVEN release DEVELOPMENT
> Checking MATLAB release 2020b
> Checking system architecture glnxa64
> Set RAVEN in MATLAB path Pass
> Save MATLAB path Pass
> Make binaries executable Pass

> Add Java paths for Excel format Pass
> Checking libSBML version 5.20.2
> Checking model import and export
> Import Excel format Pass
> Export Excel format Pass
> Import SBML format Pass
> Export SBML format Pass

> Checking for LP solvers
> glpk Pass
> gurobi Pass
> scip Fail
> cobra Pass
> Set RAVEN solver glpk

> Checking BLAST+ Pass
> Checking DIAMOND Pass
> Checking HMMER Pass

> Checking function uniqueness Pass

*** checkInstallation complete ***

SCIP MEX binary not installed or not functional, some fillGapsLargeTests skipped.
SCIP MEX binary not installed or not functional, some fillGapsSmallTests skipped.
Running blastPlusTests
.
Done blastPlusTests

Running cdhitTests
.
Done cdhitTests

Running checkTasksTests
.
Done checkTasksTests

Running diamondTests
.
Done diamondTests

Running fillGapsLargeTests
.
Done fillGapsLargeTests

Running fillGapsSmallTests
.
Done fillGapsSmallTests

Running hmmerTests
.
Done hmmerTests

Running importExportTests
....
Done importExportTests

Running mafftTests
.
Done mafftTests

Running miriamTests
.
Done miriamTests

Running modelAbilitiesTests
........
Done modelAbilitiesTests

Running modelConversionTests
.
Done modelConversionTests

Running modelCurationTests
.......... ........
Done modelCurationTests

Running modelSortingTests
..
Done modelSortingTests

Running solverTests
..
Error occurred in solverTests/testSCIP and it did not run to completion.
---------
Error ID:
---------
''
--------------
Error Details:
--------------
Error using solverTests>testSCIP (line 77)
SCIP MEX binary not installed or not functional.
..
Done solverTests

Running tinitTests
..........
Done tinitTests

Failure Summary:

Name Failed Incomplete Reason(s)
=====================================================
solverTests/testSCIP X X Errored.

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

@edkerk edkerk merged commit bb2a13e into develop Jul 17, 2024
1 check passed
@edkerk edkerk deleted the refactor/cellfun_speedup branch July 17, 2024 17:23
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