function [VOI, STATES, ALGEBRAIC, CONSTANTS] = mainFunction() % This is the "main function". In Matlab, things work best if you rename this function to match the filename. [VOI, STATES, ALGEBRAIC, CONSTANTS] = solveModel(); end function [algebraicVariableCount] = getAlgebraicVariableCount() % Used later when setting a global variable with the number of algebraic variables. % Note: This is not the "main method". algebraicVariableCount =6; end % There are a total of 3 entries in each of the rate and state variable arrays. % There are a total of 28 entries in the constant variable array. % function [VOI, STATES, ALGEBRAIC, CONSTANTS] = solveModel() % Create ALGEBRAIC of correct size global algebraicVariableCount; algebraicVariableCount = getAlgebraicVariableCount(); % Initialise constants and state variables [INIT_STATES, CONSTANTS] = initConsts; % Set timespan to solve over tspan = [0, 10]; % Set numerical accuracy options for ODE solver options = odeset('RelTol', 1e-06, 'AbsTol', 1e-06, 'MaxStep', 1); % Solve model with ODE solver [VOI, STATES] = ode15s(@(VOI, STATES)computeRates(VOI, STATES, CONSTANTS), tspan, INIT_STATES, options); % Compute algebraic variables [RATES, ALGEBRAIC] = computeRates(VOI, STATES, CONSTANTS); ALGEBRAIC = computeAlgebraic(ALGEBRAIC, CONSTANTS, STATES, VOI); % Plot state variables against variable of integration [LEGEND_STATES, LEGEND_ALGEBRAIC, LEGEND_VOI, LEGEND_CONSTANTS] = createLegends(); figure(); plot(VOI, STATES); xlabel(LEGEND_VOI); l = legend(LEGEND_STATES); set(l,'Interpreter','none'); end function [LEGEND_STATES, LEGEND_ALGEBRAIC, LEGEND_VOI, LEGEND_CONSTANTS] = createLegends() LEGEND_STATES = ''; LEGEND_ALGEBRAIC = ''; LEGEND_VOI = ''; LEGEND_CONSTANTS = ''; LEGEND_VOI = strpad('time in component environment (second)'); LEGEND_CONSTANTS(:,28) = strpad('v_GK in component v_GK (flux)'); LEGEND_CONSTANTS(:,1) = strpad('V_GK_min in component v_GK (enzyme_activity)'); LEGEND_CONSTANTS(:,25) = strpad('V_GK in component v_GK (enzyme_activity)'); LEGEND_CONSTANTS(:,2) = strpad('Sgk in component v_GK (millimolar)'); LEGEND_CONSTANTS(:,3) = strpad('h_GK in component v_GK (dimensionless)'); LEGEND_CONSTANTS(:,27) = strpad('Glc in component Glc (millimolar)'); LEGEND_CONSTANTS(:,4) = strpad('min_to_sec in component model_parameters (dimensionless)'); LEGEND_CONSTANTS(:,5) = strpad('dw_per_ml in component model_parameters (dimensionless)'); LEGEND_ALGEBRAIC(:,2) = strpad('v_PFK in component v_PFK (flux)'); LEGEND_CONSTANTS(:,6) = strpad('V_PFK_min in component v_PFK (enzyme_activity)'); LEGEND_CONSTANTS(:,23) = strpad('V_PFK in component v_PFK (enzyme_activity)'); LEGEND_CONSTANTS(:,7) = strpad('Spfk in component v_PFK (millimolar)'); LEGEND_CONSTANTS(:,8) = strpad('Sfba in component v_PFK (millimolar)'); LEGEND_CONSTANTS(:,9) = strpad('Xpfk in component v_PFK (millimolar)'); LEGEND_CONSTANTS(:,10) = strpad('hx in component v_PFK (dimensionless)'); LEGEND_CONSTANTS(:,11) = strpad('alpha in component v_PFK (dimensionless)'); LEGEND_CONSTANTS(:,12) = strpad('h_PFK in component v_PFK (dimensionless)'); LEGEND_CONSTANTS(:,13) = strpad('h_act in component v_PFK (dimensionless)'); LEGEND_STATES(:,1) = strpad('FBP in component FBP (millimolar)'); LEGEND_ALGEBRAIC(:,1) = strpad('F6P in component F6P (millimolar)'); LEGEND_ALGEBRAIC(:,6) = strpad('v_FBA in component v_FBA (flux)'); LEGEND_CONSTANTS(:,14) = strpad('V_FBA_min in component v_FBA (enzyme_activity)'); LEGEND_CONSTANTS(:,24) = strpad('V_FBA in component v_FBA (enzyme_activity)'); LEGEND_CONSTANTS(:,15) = strpad('Qfba in component v_FBA (millimolar)'); LEGEND_CONSTANTS(:,16) = strpad('Sfba in component v_FBA (millimolar)'); LEGEND_CONSTANTS(:,17) = strpad('Pfba in component v_FBA (millimolar)'); LEGEND_CONSTANTS(:,18) = strpad('Keq_FBA in component v_FBA (millimolar)'); LEGEND_ALGEBRAIC(:,3) = strpad('G3P in component G3P (millimolar)'); LEGEND_ALGEBRAIC(:,5) = strpad('DHAP in component DHAP (millimolar)'); LEGEND_ALGEBRAIC(:,4) = strpad('v_GAPDH in component v_GAPDH (flux)'); LEGEND_CONSTANTS(:,19) = strpad('V_GAPDH_min in component v_GAPDH (enzyme_activity)'); LEGEND_CONSTANTS(:,26) = strpad('V_GAPDH in component v_GAPDH (enzyme_activity)'); LEGEND_CONSTANTS(:,20) = strpad('Sgapdh in component v_GAPDH (millimolar)'); LEGEND_STATES(:,2) = strpad('G6P_F6P in component G6P_F6P (millimolar)'); LEGEND_CONSTANTS(:,21) = strpad('Keq_GPI in component F6P (dimensionless)'); LEGEND_STATES(:,3) = strpad('DHAP_G3P in component DHAP_G3P (millimolar)'); LEGEND_CONSTANTS(:,22) = strpad('Keq_TPI in component G3P (dimensionless)'); LEGEND_RATES(:,2) = strpad('d/dt G6P_F6P in component G6P_F6P (millimolar)'); LEGEND_RATES(:,1) = strpad('d/dt FBP in component FBP (millimolar)'); LEGEND_RATES(:,3) = strpad('d/dt DHAP_G3P in component DHAP_G3P (millimolar)'); LEGEND_STATES = LEGEND_STATES'; LEGEND_ALGEBRAIC = LEGEND_ALGEBRAIC'; LEGEND_RATES = LEGEND_RATES'; LEGEND_CONSTANTS = LEGEND_CONSTANTS'; end function [STATES, CONSTANTS] = initConsts() VOI = 0; CONSTANTS = []; STATES = []; ALGEBRAIC = []; CONSTANTS(:,1) = 10.0; CONSTANTS(:,2) = 8.0; CONSTANTS(:,3) = 1.7; CONSTANTS(:,4) = 60.0; CONSTANTS(:,5) = 0.3333; CONSTANTS(:,6) = 100.0; CONSTANTS(:,7) = 4.0; CONSTANTS(:,8) = 0.005; CONSTANTS(:,9) = 0.01; CONSTANTS(:,10) = 2.5; CONSTANTS(:,11) = 5.0; CONSTANTS(:,12) = 2.5; CONSTANTS(:,13) = 1.0; STATES(:,1) = 0.00063612; CONSTANTS(:,14) = 25.0; CONSTANTS(:,15) = 0.275; CONSTANTS(:,16) = 0.005; CONSTANTS(:,17) = 0.5; CONSTANTS(:,18) = 0.1; CONSTANTS(:,19) = 250.0; CONSTANTS(:,20) = 0.005; STATES(:,2) = 3.71728; CONSTANTS(:,21) = 0.3; STATES(:,3) = 0.00262966; CONSTANTS(:,22) = 0.045455; CONSTANTS(:,23) = ( CONSTANTS(:,6).*CONSTANTS(:,5))./CONSTANTS(:,4); CONSTANTS(:,24) = ( CONSTANTS(:,14).*CONSTANTS(:,5))./CONSTANTS(:,4); CONSTANTS(:,25) = ( CONSTANTS(:,1).*CONSTANTS(:,5))./CONSTANTS(:,4); CONSTANTS(:,26) = ( CONSTANTS(:,19).*CONSTANTS(:,5))./CONSTANTS(:,4); CONSTANTS(:,27) = 10.0000; CONSTANTS(:,28) = ( CONSTANTS(:,25).*power(CONSTANTS(:,27)./CONSTANTS(:,2), CONSTANTS(:,3)))./(1.00000+power(CONSTANTS(:,27)./CONSTANTS(:,2), CONSTANTS(:,3))); if (isempty(STATES)), warning('Initial values for states not set');, end end function [RATES, ALGEBRAIC] = computeRates(VOI, STATES, CONSTANTS) global algebraicVariableCount; statesSize = size(STATES); statesColumnCount = statesSize(2); if ( statesColumnCount == 1) STATES = STATES'; ALGEBRAIC = zeros(1, algebraicVariableCount); utilOnes = 1; else statesRowCount = statesSize(1); ALGEBRAIC = zeros(statesRowCount, algebraicVariableCount); RATES = zeros(statesRowCount, statesColumnCount); utilOnes = ones(statesRowCount, 1); end ALGEBRAIC(:,1) = ( STATES(:,2).*CONSTANTS(:,21))./(1.00000+CONSTANTS(:,21)); ALGEBRAIC(:,2) = ( CONSTANTS(:,23).*power(ALGEBRAIC(:,1)./CONSTANTS(:,7), CONSTANTS(:,12) - (CONSTANTS(:,12) - CONSTANTS(:,13)).*((STATES(:,1)./CONSTANTS(:,8))./(1.00000+STATES(:,1)./CONSTANTS(:,8)))))./(power(ALGEBRAIC(:,1)./CONSTANTS(:,7), CONSTANTS(:,12) - (CONSTANTS(:,12) - CONSTANTS(:,13)).*((STATES(:,1)./CONSTANTS(:,8))./(1.00000+STATES(:,1)./CONSTANTS(:,8))))+(1.00000+power(STATES(:,1)./CONSTANTS(:,9), CONSTANTS(:,10)))./(1.00000+ power(CONSTANTS(:,11), CONSTANTS(:,12) - (CONSTANTS(:,12) - CONSTANTS(:,13)).*((STATES(:,1)./CONSTANTS(:,8))./(1.00000+STATES(:,1)./CONSTANTS(:,8)))).*power(STATES(:,1)./CONSTANTS(:,9), CONSTANTS(:,10)))); RATES(:,2) = CONSTANTS(:,28) - ALGEBRAIC(:,2); ALGEBRAIC(:,3) = ( STATES(:,3).*CONSTANTS(:,22))./(1.00000+CONSTANTS(:,22)); ALGEBRAIC(:,5) = STATES(:,3) - ALGEBRAIC(:,3); ALGEBRAIC(:,6) = ( CONSTANTS(:,24).*(STATES(:,1)./CONSTANTS(:,16) - ( ALGEBRAIC(:,3).*ALGEBRAIC(:,5))./( CONSTANTS(:,17).*CONSTANTS(:,15).*CONSTANTS(:,18))))./(1.00000+STATES(:,1)./CONSTANTS(:,16)+ALGEBRAIC(:,5)./CONSTANTS(:,15)+( ALGEBRAIC(:,3).*ALGEBRAIC(:,5))./( CONSTANTS(:,17).*CONSTANTS(:,15))); RATES(:,1) = ALGEBRAIC(:,2) - ALGEBRAIC(:,6); ALGEBRAIC(:,4) = ( CONSTANTS(:,26).*ALGEBRAIC(:,3))./(CONSTANTS(:,20)+ALGEBRAIC(:,3)); RATES(:,3) = 2.00000.*ALGEBRAIC(:,6) - ALGEBRAIC(:,4); RATES = RATES'; end % Calculate algebraic variables function ALGEBRAIC = computeAlgebraic(ALGEBRAIC, CONSTANTS, STATES, VOI) statesSize = size(STATES); statesColumnCount = statesSize(2); if ( statesColumnCount == 1) STATES = STATES'; utilOnes = 1; else statesRowCount = statesSize(1); utilOnes = ones(statesRowCount, 1); end ALGEBRAIC(:,1) = ( STATES(:,2).*CONSTANTS(:,21))./(1.00000+CONSTANTS(:,21)); ALGEBRAIC(:,2) = ( CONSTANTS(:,23).*power(ALGEBRAIC(:,1)./CONSTANTS(:,7), CONSTANTS(:,12) - (CONSTANTS(:,12) - CONSTANTS(:,13)).*((STATES(:,1)./CONSTANTS(:,8))./(1.00000+STATES(:,1)./CONSTANTS(:,8)))))./(power(ALGEBRAIC(:,1)./CONSTANTS(:,7), CONSTANTS(:,12) - (CONSTANTS(:,12) - CONSTANTS(:,13)).*((STATES(:,1)./CONSTANTS(:,8))./(1.00000+STATES(:,1)./CONSTANTS(:,8))))+(1.00000+power(STATES(:,1)./CONSTANTS(:,9), CONSTANTS(:,10)))./(1.00000+ power(CONSTANTS(:,11), CONSTANTS(:,12) - (CONSTANTS(:,12) - CONSTANTS(:,13)).*((STATES(:,1)./CONSTANTS(:,8))./(1.00000+STATES(:,1)./CONSTANTS(:,8)))).*power(STATES(:,1)./CONSTANTS(:,9), CONSTANTS(:,10)))); ALGEBRAIC(:,3) = ( STATES(:,3).*CONSTANTS(:,22))./(1.00000+CONSTANTS(:,22)); ALGEBRAIC(:,5) = STATES(:,3) - ALGEBRAIC(:,3); ALGEBRAIC(:,6) = ( CONSTANTS(:,24).*(STATES(:,1)./CONSTANTS(:,16) - ( ALGEBRAIC(:,3).*ALGEBRAIC(:,5))./( CONSTANTS(:,17).*CONSTANTS(:,15).*CONSTANTS(:,18))))./(1.00000+STATES(:,1)./CONSTANTS(:,16)+ALGEBRAIC(:,5)./CONSTANTS(:,15)+( ALGEBRAIC(:,3).*ALGEBRAIC(:,5))./( CONSTANTS(:,17).*CONSTANTS(:,15))); ALGEBRAIC(:,4) = ( CONSTANTS(:,26).*ALGEBRAIC(:,3))./(CONSTANTS(:,20)+ALGEBRAIC(:,3)); end % Pad out or shorten strings to a set length function strout = strpad(strin) req_length = 160; insize = size(strin,2); if insize > req_length strout = strin(1:req_length); else strout = [strin, blanks(req_length - insize)]; end end