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add tutorial of using cobrarrow matlab api
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fernweh-3 committed Aug 29, 2024
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%% COBRArrow Tutorial
% A tutorial for using the COBRArrow MATLAB API.

%% Author: Yixing Lei

%% INTRODUCTION
%
% COBRArrow is a tool designed to handle large-scale biochemical reaction
% models through remote procedure calls (RPC). It facilitates the sharing
% of computational models within COBRA tools across different programming
% languages and provides efficient optimization services, streamlining the
% process of sharing and optimizing various models.
%
% In this tutorial, you will learn how to use COBRArrow MATLAB API to:
% - Set up the COBRArrow environment
% - Send models to a remote server
% - Fetch models from the server
% - Persist models to a database
% - Optimize models and retrieve results

%% Step 1: Environment Setup
%
% Before you begin, ensure that you have installed the necessary
% dependencies:
% - MATLAB with the COBRA Toolbox installed and initialized.
% - Python: A compatible version of Python as specified by MathWorks
% Python Compatibility:
% https://www.mathworks.com/content/dam/mathworks/mathworks-dot-com/support/sysreq/files/python-support.pdf

%% Step 2: Setting Up COBRArrow
%
% Before running any model, you need to set up COBRArrow in MATLAB.
% This involves initializing the environment and establishing a connection
% to the remote server.

% Initialize COBRArrow
initCobrarrow();

% Build the service connection
client = COBRArrow('cobrarrow.chatimd.org');

% Login to use the service
client = client.login('johndoe','123456');

%% Step 3: Sending and Optimizing a Model
%
% COBRArrow allows you to send your biochemical model to a remote server,
% where you can run optimizations using remote resources, providing a faster
% and more efficient way of computation.

% Example: Sending a Model
% First, load your model and send it to the remote server:

% Load the model(we use ecoli_core_model for demonstration purpose)
fileName = 'ecoli_core_model.mat';
if ~exist('modelOri','var')
modelOri = readCbModel(fileName);
end

% Send the model to the server
schemaName = 'ecoli_core';
client.sendModel(modelOri, schemaName);

% schemaName is the unique identifier of the model on the server.
% If the model with the same schemaName already exists on server, error
% will be thrown. If you want to overwrite the existing model, set the
% toOverwrite flag to ture to the method call. Or you can choose to change
% the schemaName.

% Send the model to the server with flags for persistence and overwrite
toPersist = false; % Persist the model in the database
toOverwrite = true; % Overwrite the model on the server if it exists
client.sendModel(modelOri, schemaName, toPersist, toOverwrite);

% or you can just call sendModel method like this:
client.sendModel(modelOri, schemaName, false, true);

% Example: Optimizing a Model
% Once the model is on the server, you can run optimization on the server.

% Specify the solver and parameters
solver = COBRArrowSolver('gurobi');
solver.setParameter('tol', 1e-9);
% Note: currently the remote optimization service hasn't supported
% parameter change yet

% Run optimization
result = client.optimizeModel(schemaName, solver);

%% Additional Methods: Fetching and Persisting Models
%
% 1. Fetching the Model
%
% You can fetch a model that was uploaded by other users. The model can be
% used in COBRA Toolbox for furthur analysis.
fetchedModel = client.fetchModel(schemaName);

% For example, it can be used to do optimization locally.
solution = optimizeCbModel(fetchedModel);

% 2. Persisting the Model to a Database
%
% Models sent to the remote server are stored in memory, which facilitates
% fast data sharing. However, this data is volatile and may be lost if the
% server is abruptly terminated.

% To avoid losing data, it's important to persist the model to a database:
client.persistModel(schemaName, true);

% 3. Send a field
%
% You can send an individual field to server.
% For example, the flux result can be sent to server for visualization in
% Escher map.
fieldName = 'flux';
fieldData = result.flux;
client.sendField(schemaName, fieldName, fieldData);

% If the field is already stored on the server, error will be thrown. You
% need to set the toOverwrite flag as true to overwrite the data.
client.sendField(schemaName, fieldName, fieldData, true);

% 4. Fetch a single field.
%
% You can fetch a single field in the model from the server. This provides
% efficiency and convenience when you only need part of the data in the
% model for analysis.
fluxResult = client.fetchField(schemaName, fieldName);

% 5. Fetch the model for FBA analysis
%
% You can fetch part of the model which includes the fields that are used
% for doing FBA analysis only.
FBAmodel = client.fetchModelForFBAAnalysis(schemaName);
FBAresult = optimizeCbModel(FBAmodel);

% 6. List flight information on the server
%
% The model sent to the server is stored as many flights. Every flight
% contains information about how each field is stored on the server. It
% includes:
% - descriptor: Unique identifier for the flight.
% - total_records: Total number of records in the flight.
% - total_bytes: Total number of bytes in the flight.
% - endpoints: List of endpoints where the flight can be accessed.
% - schema: Schema of the flight, including column names and data types.
% - schema_metadata: Additional metadata associated with the schema, such
% as field name, description, dimension of the field and the data type of
% the field in matlab.

% List flights in a schema
flightsList = client.listAllFlights(schemaName);

% List all flights on server
allFlightsList = client.listAllFlights();

% 7. Get unique identifier of the flights
%
% Get unique identifiers of the flights in a schema, so that we can
% retrieve the flight and get the data.
descriptors = client.getAllDescriptors(schemaName);

% Get all unique identifiers of the flights on the server
allDescriptors = client.getAllDescriptors();

%% _TROUBLESHOOTING_
%
% If you encounter issues with sending models or running optimizations, ensure:
% 1. The COBRA Toolbox and dependencies are correctly installed and configured.
% 2. The server is accessible and running the necessary services.
% 3. Python and required package (PyArrow) is correctly installed.
%
%
%% _Acknowledgments_
%
% 1. Currently, the remote optimization service supports solvers including:
% CPLEX, GLPK, Gurobi. It hasn't supported parameter change yet.
% 2. Always persist your model to the database to avoid losing your data in
% case of a service shutdown.
% 3. The listAllFlights method and getAllDescriptors method can be used for
% debugging and future extension purposes, they are not involved in general
% use cases.
%
%

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