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jacekwachowiak committed Dec 18, 2017
1 parent 7d0846a commit 71c7375
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Showing 2 changed files with 14 additions and 22 deletions.
36 changes: 14 additions & 22 deletions tutorials/analysis/vonBertalanffy/tutorial_vonBertalanffy.m
Original file line number Diff line number Diff line change
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%% Set the print level and decide to record a diary or not (helpful for debugging)

printLevel=2;
if 1
diary([resultsPath filesep 'diary.txt'])
end

diary([resultsPath filesep 'diary.txt'])
%% Setup a thermodynamically constrained model
%% Read in the metabolite bounds

if 1
setDefaultConc=1;
setDefaultFlux=0;
rxnBoundsFile=[];
model=readMetRxnBoundsFiles(model,setDefaultConc,setDefaultFlux,concMinDefault,concMaxDefault,metBoundsFile,rxnBoundsFile,printLevel);
end
setDefaultConc=1;
setDefaultFlux=0;
rxnBoundsFile=[];
model=readMetRxnBoundsFiles(model,setDefaultConc,setDefaultFlux,concMinDefault,concMaxDefault,metBoundsFile,rxnBoundsFile,printLevel);
%% Check inputs

model = configureSetupThermoModelInputs(model,T,compartments,ph,is,chi,concMinDefault,concMaxDefault,confidenceLevel);
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end
%% Check that the input data necessary for the component contribution method is in place
%%
if 1 %isfield(model,'pseudoisomers')
% if isfield(model,'pseudoisomers')
model = setupComponentContribution(model,molfileDir);
end
% end
%% Prepare the training data for the component contribution method
%%

%if ~exist('training_data','var')
% if ~exist('training_data','var')
training_data = prepareTrainingData(model,printLevel);
%end
% end
%% Call the component contribution method
%%
if ~isfield(model,'DfG0')
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% Write out reports on directionality changes for individual reactions to
% the results folder.

if 1
fprintf('%s\n','directionalityChangeReport...');
directionalityChangeReport(modelThermo,directions,cumNormProbCutoff,printLevel,resultsBaseFileName)
end
fprintf('%s\n','directionalityChangeReport...');
directionalityChangeReport(modelThermo,directions,cumNormProbCutoff,printLevel,resultsBaseFileName)
%%
% Generate pie charts with proportions of reaction directionalities and
% changes in directionality

if 1
fprintf('%s\n','directionalityStatFigures...');
directionalityStatsFigures(directions,resultsBaseFileName)
end
fprintf('%s\n','directionalityStatFigures...');
directionalityStatsFigures(directions,resultsBaseFileName)
%%
% Generate figures to interpret the overall reasons for reaction directionality
% changes for the qualitatively forward now quantiatiavely reversible reactions
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