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 12 entries in each of the rate and state variable arrays. % There are a total of 43 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 (minute)'); LEGEND_STATES(:,1) = strpad('Asp in component Asp (millimolar)'); LEGEND_ALGEBRAIC(:,1) = strpad('vAKI in component vAKI (flux)'); LEGEND_ALGEBRAIC(:,5) = strpad('vAKIII in component vAKIII (flux)'); LEGEND_STATES(:,2) = strpad('aspp in component aspp (millimolar)'); LEGEND_ALGEBRAIC(:,2) = strpad('vASD in component vASD (flux)'); LEGEND_STATES(:,3) = strpad('ASA in component ASA (millimolar)'); LEGEND_ALGEBRAIC(:,3) = strpad('vHDH in component vHDH (flux)'); LEGEND_STATES(:,4) = strpad('hs in component hs (millimolar)'); LEGEND_ALGEBRAIC(:,4) = strpad('vHK in component vHK (flux)'); LEGEND_STATES(:,5) = strpad('hsp in component hsp (millimolar)'); LEGEND_ALGEBRAIC(:,6) = strpad('vTS in component vTS (flux)'); LEGEND_STATES(:,6) = strpad('Thr in component Thr (millimolar)'); LEGEND_STATES(:,7) = strpad('ATP in component ATP (millimolar)'); LEGEND_STATES(:,8) = strpad('ADP in component ADP (millimolar)'); LEGEND_STATES(:,9) = strpad('NADPH in component NADPH (millimolar)'); LEGEND_STATES(:,10) = strpad('NADP in component NADP (millimolar)'); LEGEND_STATES(:,11) = strpad('Pi in component Pi (millimolar)'); LEGEND_STATES(:,12) = strpad('Lys in component Lys (millimolar)'); LEGEND_CONSTANTS(:,1) = strpad('K_asp in component vAKI (millimolar)'); LEGEND_CONSTANTS(:,2) = strpad('K_ATP in component vAKI (millimolar)'); LEGEND_CONSTANTS(:,3) = strpad('K_aspp in component vAKI (millimolar)'); LEGEND_CONSTANTS(:,4) = strpad('K_ADP in component vAKI (millimolar)'); LEGEND_CONSTANTS(:,5) = strpad('K_iThr in component vAKI (millimolar)'); LEGEND_CONSTANTS(:,6) = strpad('alpha in component vAKI (dimensionless)'); LEGEND_CONSTANTS(:,7) = strpad('h_Thr in component vAKI (dimensionless)'); LEGEND_CONSTANTS(:,8) = strpad('K_eq in component vAKI (dimensionless)'); LEGEND_CONSTANTS(:,9) = strpad('V_max_AK_I in component vAKI (flux)'); LEGEND_CONSTANTS(:,10) = strpad('K_aspp in component vASD (millimolar)'); LEGEND_CONSTANTS(:,11) = strpad('K_NADPH in component vASD (millimolar)'); LEGEND_CONSTANTS(:,12) = strpad('K_ASA in component vASD (millimolar)'); LEGEND_CONSTANTS(:,13) = strpad('K_NADP in component vASD (millimolar)'); LEGEND_CONSTANTS(:,14) = strpad('K_Pi in component vASD (millimolar)'); LEGEND_CONSTANTS(:,15) = strpad('K_eq in component vASD (millimolar)'); LEGEND_CONSTANTS(:,16) = strpad('V_max_ASD in component vASD (flux)'); LEGEND_CONSTANTS(:,17) = strpad('K_ASA in component vHDH (millimolar)'); LEGEND_CONSTANTS(:,18) = strpad('K_NADPH in component vHDH (millimolar)'); LEGEND_CONSTANTS(:,19) = strpad('K_hs in component vHDH (millimolar)'); LEGEND_CONSTANTS(:,20) = strpad('K_NADP in component vHDH (millimolar)'); LEGEND_CONSTANTS(:,21) = strpad('K_iThr in component vHDH (millimolar)'); LEGEND_CONSTANTS(:,22) = strpad('alpha in component vHDH (dimensionless)'); LEGEND_CONSTANTS(:,23) = strpad('h in component vHDH (dimensionless)'); LEGEND_CONSTANTS(:,24) = strpad('K_eq in component vHDH (dimensionless)'); LEGEND_CONSTANTS(:,25) = strpad('V_max_HDH in component vHDH (flux)'); LEGEND_CONSTANTS(:,26) = strpad('K_hs in component vHK (millimolar)'); LEGEND_CONSTANTS(:,27) = strpad('K_ATP in component vHK (millimolar)'); LEGEND_CONSTANTS(:,28) = strpad('K_iThr in component vHK (millimolar)'); LEGEND_CONSTANTS(:,29) = strpad('K_iLys in component vHK (millimolar)'); LEGEND_CONSTANTS(:,30) = strpad('K_ihs in component vHK (millimolar)'); LEGEND_CONSTANTS(:,31) = strpad('K_iATP in component vHK (millimolar)'); LEGEND_CONSTANTS(:,32) = strpad('V_max_HK in component vHK (flux)'); LEGEND_CONSTANTS(:,33) = strpad('K_hsp in component vTS (millimolar)'); LEGEND_CONSTANTS(:,34) = strpad('V_max_TS in component vTS (flux)'); LEGEND_CONSTANTS(:,35) = strpad('K_asp in component vAKIII (millimolar)'); LEGEND_CONSTANTS(:,36) = strpad('K_ATP in component vAKIII (millimolar)'); LEGEND_CONSTANTS(:,37) = strpad('K_aspp in component vAKIII (millimolar)'); LEGEND_CONSTANTS(:,38) = strpad('K_ADP in component vAKIII (millimolar)'); LEGEND_CONSTANTS(:,39) = strpad('K_iLys in component vAKIII (millimolar)'); LEGEND_CONSTANTS(:,40) = strpad('h_Lys in component vAKIII (dimensionless)'); LEGEND_CONSTANTS(:,41) = strpad('K_eq in component vAKIII (dimensionless)'); LEGEND_CONSTANTS(:,42) = strpad('V_max_AK_III in component vAKIII (flux)'); LEGEND_RATES(:,1) = strpad('d/dt Asp in component Asp (millimolar)'); LEGEND_RATES(:,2) = strpad('d/dt aspp in component aspp (millimolar)'); LEGEND_RATES(:,3) = strpad('d/dt ASA in component ASA (millimolar)'); LEGEND_RATES(:,4) = strpad('d/dt hs in component hs (millimolar)'); LEGEND_RATES(:,5) = strpad('d/dt hsp in component hsp (millimolar)'); LEGEND_RATES(:,6) = strpad('d/dt Thr in component Thr (millimolar)'); LEGEND_RATES(:,7) = strpad('d/dt ATP in component ATP (millimolar)'); LEGEND_RATES(:,8) = strpad('d/dt ADP in component ADP (millimolar)'); LEGEND_RATES(:,9) = strpad('d/dt NADPH in component NADPH (millimolar)'); LEGEND_RATES(:,10) = strpad('d/dt NADP in component NADP (millimolar)'); LEGEND_RATES(:,11) = strpad('d/dt Pi in component Pi (millimolar)'); LEGEND_RATES(:,12) = strpad('d/dt Lys in component Lys (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 = []; STATES(:,1) = 10; STATES(:,2) = 0; STATES(:,3) = 0; STATES(:,4) = 0; STATES(:,5) = 0; STATES(:,6) = 0; STATES(:,7) = 30; STATES(:,8) = 0; STATES(:,9) = 0; STATES(:,10) = 0; STATES(:,11) = 0; STATES(:,12) = 0; CONSTANTS(:,1) = 0.97; CONSTANTS(:,2) = 0.98; CONSTANTS(:,3) = 0.017; CONSTANTS(:,4) = 0.25; CONSTANTS(:,5) = 0.167; CONSTANTS(:,6) = 2.47; CONSTANTS(:,7) = 4.09; CONSTANTS(:,8) = 0.00064; CONSTANTS(:,9) = 463; CONSTANTS(:,10) = 0.022; CONSTANTS(:,11) = 0.029; CONSTANTS(:,12) = 0.11; CONSTANTS(:,13) = 0.144; CONSTANTS(:,14) = 10.2; CONSTANTS(:,15) = 284000; CONSTANTS(:,16) = 598; CONSTANTS(:,17) = 0.24; CONSTANTS(:,18) = 0.037; CONSTANTS(:,19) = 3.39; CONSTANTS(:,20) = 0.067; CONSTANTS(:,21) = 0.097; CONSTANTS(:,22) = 3.93; CONSTANTS(:,23) = 1.41; CONSTANTS(:,24) = 100000000000; CONSTANTS(:,25) = 2585; CONSTANTS(:,26) = 0.11; CONSTANTS(:,27) = 0.072; CONSTANTS(:,28) = 1.09; CONSTANTS(:,29) = 9.45; CONSTANTS(:,30) = 4.7; CONSTANTS(:,31) = 4.35; CONSTANTS(:,32) = 483; CONSTANTS(:,33) = 0.31; CONSTANTS(:,34) = 208; CONSTANTS(:,35) = 0.32; CONSTANTS(:,36) = 0.22; CONSTANTS(:,37) = 0.017; CONSTANTS(:,38) = 0.25; CONSTANTS(:,39) = 0.391; CONSTANTS(:,40) = 2.8; CONSTANTS(:,41) = 0.00064; CONSTANTS(:,42) = 299; CONSTANTS(:,42) = 0.00000; 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 RATES(:,12) = CONSTANTS(:,42); ALGEBRAIC(:,2) = ( CONSTANTS(:,16).*( STATES(:,2).*STATES(:,9) - ( STATES(:,3).*STATES(:,10).*STATES(:,11))./CONSTANTS(:,15)))./( ( CONSTANTS(:,10).*(1.00000+STATES(:,3)./CONSTANTS(:,12)).*(1.00000+STATES(:,11)./CONSTANTS(:,14))+STATES(:,2)).*( CONSTANTS(:,11).*(1.00000+STATES(:,10)./CONSTANTS(:,13))+STATES(:,9))); ALGEBRAIC(:,3) = ( CONSTANTS(:,25).*( STATES(:,3).*STATES(:,9) - ( STATES(:,4).*STATES(:,10))./CONSTANTS(:,24)))./( ((1.00000+power(STATES(:,6)./CONSTANTS(:,21), CONSTANTS(:,23)))./(1.00000+power(STATES(:,6)./( CONSTANTS(:,22).*CONSTANTS(:,21)), CONSTANTS(:,23)))).*(CONSTANTS(:,17)+( STATES(:,4).*CONSTANTS(:,17))./CONSTANTS(:,19)+STATES(:,3)).*( CONSTANTS(:,18).*(1.00000+STATES(:,10)./CONSTANTS(:,20))+STATES(:,9))); RATES(:,3) = ALGEBRAIC(:,2) - ALGEBRAIC(:,3); RATES(:,9) = - ALGEBRAIC(:,2) - ALGEBRAIC(:,3); RATES(:,10) = ALGEBRAIC(:,2)+ALGEBRAIC(:,3); ALGEBRAIC(:,4) = ( CONSTANTS(:,32).*STATES(:,4).*STATES(:,7))./( (( CONSTANTS(:,26).*(1.00000+STATES(:,7)./CONSTANTS(:,31)))./(1.00000+STATES(:,6)./CONSTANTS(:,28))+STATES(:,4)).*( CONSTANTS(:,27).*(1.00000+STATES(:,4)./CONSTANTS(:,30))+STATES(:,7)).*(1.00000+STATES(:,12)./CONSTANTS(:,29))); RATES(:,4) = ALGEBRAIC(:,3) - ALGEBRAIC(:,4); ALGEBRAIC(:,1) = ( CONSTANTS(:,9).*( STATES(:,1).*STATES(:,7) - ( STATES(:,2).*STATES(:,8))./CONSTANTS(:,8)))./( (( CONSTANTS(:,1).*(1.00000+power(STATES(:,6)./CONSTANTS(:,5), CONSTANTS(:,7))))./(1.00000+power(STATES(:,6)./( CONSTANTS(:,5).*CONSTANTS(:,6)), CONSTANTS(:,7)))+( STATES(:,2).*CONSTANTS(:,1))./CONSTANTS(:,3)+STATES(:,1)).*( CONSTANTS(:,2).*(1.00000+STATES(:,8)./CONSTANTS(:,4))+STATES(:,7))); ALGEBRAIC(:,5) = ( CONSTANTS(:,42).*( STATES(:,1).*STATES(:,7) - ( STATES(:,2).*STATES(:,8))./CONSTANTS(:,41)))./( (1.00000+power(STATES(:,12)./CONSTANTS(:,39), CONSTANTS(:,40))).*( CONSTANTS(:,35).*(1.00000+STATES(:,2)./CONSTANTS(:,37))+STATES(:,1)).*( CONSTANTS(:,36).*(1.00000+STATES(:,8)./CONSTANTS(:,38))+STATES(:,7))); RATES(:,1) = - ALGEBRAIC(:,1) - ALGEBRAIC(:,5); RATES(:,2) = (ALGEBRAIC(:,1)+ALGEBRAIC(:,5)) - ALGEBRAIC(:,2); ALGEBRAIC(:,6) = ( CONSTANTS(:,34).*STATES(:,5))./(CONSTANTS(:,33)+STATES(:,5)); RATES(:,5) = ALGEBRAIC(:,4)+ALGEBRAIC(:,6); RATES(:,6) = ALGEBRAIC(:,6); RATES(:,7) = ( - ALGEBRAIC(:,1) - ALGEBRAIC(:,5)) - ALGEBRAIC(:,4); RATES(:,8) = ALGEBRAIC(:,1)+ALGEBRAIC(:,5)+ALGEBRAIC(:,4); RATES(:,11) = ALGEBRAIC(:,2)+ALGEBRAIC(:,6); 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(:,2) = ( CONSTANTS(:,16).*( STATES(:,2).*STATES(:,9) - ( STATES(:,3).*STATES(:,10).*STATES(:,11))./CONSTANTS(:,15)))./( ( CONSTANTS(:,10).*(1.00000+STATES(:,3)./CONSTANTS(:,12)).*(1.00000+STATES(:,11)./CONSTANTS(:,14))+STATES(:,2)).*( CONSTANTS(:,11).*(1.00000+STATES(:,10)./CONSTANTS(:,13))+STATES(:,9))); ALGEBRAIC(:,3) = ( CONSTANTS(:,25).*( STATES(:,3).*STATES(:,9) - ( STATES(:,4).*STATES(:,10))./CONSTANTS(:,24)))./( ((1.00000+power(STATES(:,6)./CONSTANTS(:,21), CONSTANTS(:,23)))./(1.00000+power(STATES(:,6)./( CONSTANTS(:,22).*CONSTANTS(:,21)), CONSTANTS(:,23)))).*(CONSTANTS(:,17)+( STATES(:,4).*CONSTANTS(:,17))./CONSTANTS(:,19)+STATES(:,3)).*( CONSTANTS(:,18).*(1.00000+STATES(:,10)./CONSTANTS(:,20))+STATES(:,9))); ALGEBRAIC(:,4) = ( CONSTANTS(:,32).*STATES(:,4).*STATES(:,7))./( (( CONSTANTS(:,26).*(1.00000+STATES(:,7)./CONSTANTS(:,31)))./(1.00000+STATES(:,6)./CONSTANTS(:,28))+STATES(:,4)).*( CONSTANTS(:,27).*(1.00000+STATES(:,4)./CONSTANTS(:,30))+STATES(:,7)).*(1.00000+STATES(:,12)./CONSTANTS(:,29))); ALGEBRAIC(:,1) = ( CONSTANTS(:,9).*( STATES(:,1).*STATES(:,7) - ( STATES(:,2).*STATES(:,8))./CONSTANTS(:,8)))./( (( CONSTANTS(:,1).*(1.00000+power(STATES(:,6)./CONSTANTS(:,5), CONSTANTS(:,7))))./(1.00000+power(STATES(:,6)./( CONSTANTS(:,5).*CONSTANTS(:,6)), CONSTANTS(:,7)))+( STATES(:,2).*CONSTANTS(:,1))./CONSTANTS(:,3)+STATES(:,1)).*( CONSTANTS(:,2).*(1.00000+STATES(:,8)./CONSTANTS(:,4))+STATES(:,7))); ALGEBRAIC(:,5) = ( CONSTANTS(:,42).*( STATES(:,1).*STATES(:,7) - ( STATES(:,2).*STATES(:,8))./CONSTANTS(:,41)))./( (1.00000+power(STATES(:,12)./CONSTANTS(:,39), CONSTANTS(:,40))).*( CONSTANTS(:,35).*(1.00000+STATES(:,2)./CONSTANTS(:,37))+STATES(:,1)).*( CONSTANTS(:,36).*(1.00000+STATES(:,8)./CONSTANTS(:,38))+STATES(:,7))); ALGEBRAIC(:,6) = ( CONSTANTS(:,34).*STATES(:,5))./(CONSTANTS(:,33)+STATES(:,5)); 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