SysBioChalmers / GECKO

Toolbox for including enzyme constraints on a genome-scale model.
http://sysbiochalmers.github.io/GECKO/
MIT License
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fix: if organism is in KEGG multiple times #289

Closed edkerk closed 1 year ago

edkerk commented 1 year ago

Main improvements in this PR:

I hereby confirm that I have:

github-actions[bot] commented 1 year ago

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

 
Running geckoCoreFunctionTests
================================================================================
Verification failed in geckoCoreFunctionTests/testsaveECModel_tc0009.
---------------------
Framework Diagnostic:
---------------------
verifyEqual failed.
--> Path to failure: .rev
--> The numeric values are not equal using "isequaln".
--> Failure table:
Index Actual Expected Error RelativeError
_____ ______ ________ _____ _____________

12 1 0 1 Inf
13 1 0 1 Inf
14 1 0 1 Inf
15 1 0 1 Inf
16 1 0 1 Inf
17 1 0 1 Inf

Actual double:
17x1 double
Expected double:
17x1 double

Actual Value:
struct with fields:

name: 'testModel'
id: 'testModel'
annotation: [1x1 struct]
date: '2023-03-20'
description: ''
version: ''
rxns: {17x1 cell}
S: [10x17 double]
rev: [17x1 double]
metNames: {10x1 cell}
comps: {2x1 cell}
compNames: {2x1 cell}
metComps: [10x1 double]
mets: {10x1 cell}
grRules: {17x1 cell}
rxnGeneMat: [17x5 double]
genes: {5x1 cell}
ub: [17x1 double]
lb: [17x1 double]
c: [17x1 double]
rxnNames: {17x1 cell}
b: [10x1 double]
eccodes: {17x1 cell}
metNotes: {10x1 cell}
ec: [1x1 struct]
Expected Value:
struct with fields:

id: 'testModel'
name: 'testModel'
description: ''
version: ''
date: '2023-03-20'
annotation: [1x1 struct]
rxns: {17x1 cell}
rxnNames: {17x1 cell}
mets: {10x1 cell}
metNames: {10x1 cell}
S: [10x17 double]
lb: [17x1 double]
ub: [17x1 double]
rev: [17x1 double]
c: [17x1 double]
b: [10x1 double]
genes: {5x1 cell}
grRules: {17x1 cell}
rxnGeneMat: [17x5 double]
eccodes: {17x1 cell}
metComps: [10x1 double]
metNotes: {10x1 cell}
comps: {2x1 cell}
compNames: {2x1 cell}
ec: [1x1 struct]
------------------
Stack Information:
------------------
In /home/m/actions-runner/_work/GECKO/GECKO/test/unit_tests/geckoCoreFunctionTests.m (testsaveECModel_tc0009) at 232
================================================================================
Model-specific DLKcat input stored at /home/m/actions-runner/_work/GECKO/GECKO/test/unit_tests/ecTestGEM/data/DLKcat_input_test.tsv
Limit has been reached. Protein P5 seems to be problematic. Consider changing the kcat.
Done geckoCoreFunctionTests
__________

Failure Summary:

Name Failed Incomplete Reason(s)
============================================================================================
geckoCoreFunctionTests/testsaveECModel_tc0009 X Failed by verification.

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

ae-tafur commented 1 year ago

Look good !

mihai-sysbio commented 1 year ago

The implementation of this fix can be very tricky to debug later on. If there is no better solution than choosing the first match, please also consider updating the documentation of this function.

edkerk commented 1 year ago

Fair point, will mention this in function documentation.

edkerk commented 1 year ago

See 886a15ec047cfdf32ed3ae24e50803f9ba2b97db and #295.