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fix: various minor fixes #530
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This PR has been automatically tested with GH Actions. Here is the output of the tests: > Installing from location /home/m/actions-runner/_work/RAVEN/RAVEN
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edkerk
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fix: simplifyModel w/ backwards-only irrev rxns
fix: various minor fixes
Mar 8, 2024
and new progressbar2
for unconstrained reactions
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works both when parfor is run in parallel or in serial, without any further changes to the code
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simas232
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Failing tests is likely due to invalid gurobi license on the CI server. |
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fix: simplifyModel w/ backwards-only irrev rxns fix: writeYAMLmodel do not write empty lines fix: getModelFromKEGG essential fields feat: printFluxes better error with empty fluxes fix: getGenesFromGrRules if '|' in gene fix: getGenesFromGrRules correct earlier fix fix: getModelFromHomology remove geneFrom field refactor: reduce default verbosity fix: writeYAMLmodel allow empty id and name fields doc: updateDocumentation fix: ravenCobraWrapper prefers to use grRules feat: optimizeProb error solving milp with glpk fix: adjust tests to separate solvers fix: writeYAMLmodel error if dir does not exist feat: parallel randomSampling and new progressbar2 feat: setParam has 'unc' as option for unconstrained reactions feat: parallelPoolRAVEN handles parallelization feat: use alternative ProgressBar function works both when parfor is run in parallel or in serial, without any further changes to the code refactor: predictLocalization builtin randsample fix: mapCompartments correct horizontal concatenation also updated documentation feat: give execution rights in Terminal for new RAVEN functions doc: update GLPK readme file feat: add GLPK compatibility with Apple Silicon
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Main improvements in this PR:
simplifyModel
with irreversible backwards-only reactions (solves bug: simplifyModel with irreversible backwards-only reactions #529)writeYAMLmodel
do not write lines with empty entries (e.g. reactions without subsystems)getModelFromKEGG
includesmodel.annotation.defaultLB
andmodel.annotation.defaultUB
fieldsgetGenesFromGrRules
can handle genes with '|'getModelFromHomology
remove geneFrom field (solves Error in getModelFromHomology function #533)getMinNrFluxes
reduce default verbositywriteYAMLmodel
allow empty id and name fields, in line with https://github.com/SysBioChalmers/RAVEN/wiki/RAVEN-Model-StructureravenCobraWrapper
prefers to use grRules in COBRA models if present (solves GECKO issue #367)optimizeProb
will throw error when trying to solve MILP with glpk (also if glpk is set via cobra)writeYAMLmodel
will throw an informative error if it cannot write the file to the intended directorymapCompartments
correct horizontal concatenation of cell arrayrandomSampling
can run in parallel with MATLAB Parallel Computing Toolbox installedsetParam
has an additional option, 'unc' if a reaction's lower and upper bound should be set as unconstrained. If available, this will use the default bounds inmodel.annotation
(otherwise [-1000, 1000]), and considers reversibility (in which case lower bound = 0)parallelPoolRAVEN
function to check if function should be running in parallelparfor
callsInstructions on merging this PR:
develop
as target branch, and will be resolved with a squash-merge.main
as target branch, and will be resolved with a merge commit.