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Merge pull request #210 from opencobra/develop
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Develop
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rmtfleming authored Oct 6, 2024
2 parents dcc4c67 + 3ceafa0 commit 9e5cd66
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87 changes: 87 additions & 0 deletions analysis/benchmarkSolvers/driver_loadBenchmarkWBMsolvers.m
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%% Choose between different models.
% Add your own via the switch statement below.

if ~exist(modelToUse,'var')
%modelToUse = 'iCoreED'; % medium - TODO could not compute extremePools -find out why.
%modelToUse = 'iDopaNeuroC';
% modelToUse = 'Recon3T';
modelToUse = 'Harvey';
%modelToUse = 'Harvetta';
end

%% Set local parameters
% If true, it will relax tight bounds
relaxTightBounds=0;
lowerExponent = 4; %the minimum difference between ub_j and lb_j is 10^(lowerExponent)
higherExponent = 10;

% Load the selected model and make any adjustments necessary.
switch modelToUse
case 'iCoreED'
if ~exist('iCoreED','var')
load ~/drive/sbgCloud/projects/variationalKinetics/data/iCoreED/iCoreED_modelT.mat
end
model = modelT;

if ~isfield(model,'biomassRxnAbbr')
model.biomassRxnAbbr='Biomass_Ecoli_core_w_GAM';
end
case 'iDopaNeuroC'
load('~/drive/sbgCloud/projects/variationalKinetics/data/iDopaNeuro/iDopaNeuroC.mat')
%load('~/drive/sbgCloud/data/models/published/iDopaNeuro/iDopaNeuroC.mat')
model = iDopaNeuroC;
model.description='iDopaNeuroC';
model.version='1.0';
case 'Recon3T'
load('~/drive/sbgCloud/projects/variationalKinetics/data/Recon3T/Recon3DModel_301_xomics_input.mat');
case 'Harvey'
if isfile('~/drive/sbgCloud/code/wbm_modelingcode/WBM_reconstructions/Harvey_1_04c_lifted.mat')
load('~/drive/sbgCloud/code/wbm_modelingcode/WBM_reconstructions/Harvey_1_04c_lifted.mat')
model=male;
model.osenseStr='max';
else
load('~/drive/sbgCloud/code/wbm_modelingcode/WBM_reconstructions/Harvey_1_04c.mat')
%load('~/drive/sbgCloud/projects/variationalKinetics/data/WBM/Harvey_1_04c.mat')
%load('~/drive/sbgCloud/data/models/published/Harvey_Harvetta/20191104_Harvey_1_01c.mat')
model=male;
model.osenseStr='max';
model = changeObjective(model,model.rxns(contains(model.rxns,'Whole')));

model = homogeniseCouplingConstraints(model);

%% Reformulate coupling constraints
% Using hierarchical lifting as described here
% https://bmcbioinformatics.biomedcentral.com/articles/10.1186/1471-2105-14-240
[male] = liftCouplingConstraints(model);
save('~/drive/sbgCloud/code/wbm_modelingcode/WBM_reconstructions/Harvey_1_04c_lifted.mat','male');
return
end

case 'Harvetta'
if isfile('~/drive/sbgCloud/code/wbm_modelingcode/WBM_reconstructions/Harvetta_1_04c_lifted.mat')
load('~/drive/sbgCloud/code/wbm_modelingcode/WBM_reconstructions/Harvetta_1_04c_lifted.mat')
model=female;
model.osenseStr='max';
else
load('~/drive/sbgCloud/code/wbm_modelingcode/WBM_reconstructions/Harvetta_1_04c.mat')
%load('~/drive/sbgCloud/projects/variationalKinetics/data/WBM/Harvetta_1_04c.mat')
%load('~/drive/sbgCloud/data/models/published/Harvey_Harvetta/20191104_Harvetta_1_01c.mat')
model=female;
model.osenseStr='max';
model = changeObjective(model,model.rxns(contains(model.rxns,'Whole')));

model = homogeniseCouplingConstraints(model);

%% Reformulate coupling constraints
% Using hierarchical lifting as described here
% https://bmcbioinformatics.biomedcentral.com/articles/10.1186/1471-2105-14-240
[female] = liftCouplingConstraints(model);
save('~/drive/sbgCloud/code/wbm_modelingcode/WBM_reconstructions/Harvetta_1_04c_lifted.mat','female');
return
end
otherwise
errror('Unrecognised modelToUse')
end



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