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 =19; end % There are a total of 9 entries in each of the rate and state variable arrays. % There are a total of 30 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_STATES(:,1) = strpad('NO in component NO (micromolar)'); LEGEND_STATES(:,2) = strpad('O_2m in component O_2m (micromolar)'); LEGEND_CONSTANTS(:,1) = strpad('O_2 in component NO (micromolar)'); LEGEND_STATES(:,3) = strpad('NO_2 in component NO (micromolar)'); LEGEND_STATES(:,4) = strpad('N2O3 in component N2O3 (micromolar)'); LEGEND_STATES(:,5) = strpad('GSNO in component GSNO (micromolar)'); LEGEND_STATES(:,6) = strpad('CcOX in component NO (micromolar)'); LEGEND_STATES(:,7) = strpad('FeLn in component FeLn (micromolar)'); LEGEND_CONSTANTS(:,29) = strpad('r_1NO in component NO (flux)'); LEGEND_ALGEBRAIC(:,1) = strpad('r_4NO in component NO (flux)'); LEGEND_ALGEBRAIC(:,2) = strpad('r_12aNO in component NO (flux)'); LEGEND_ALGEBRAIC(:,3) = strpad('r_12bNOp in component NO (flux)'); LEGEND_ALGEBRAIC(:,4) = strpad('r_12bNOm in component NO (flux)'); LEGEND_ALGEBRAIC(:,5) = strpad('r_14NO in component NO (flux)'); LEGEND_ALGEBRAIC(:,6) = strpad('r_15NO in component NO (flux)'); LEGEND_ALGEBRAIC(:,7) = strpad('r_16NO in component NO (flux)'); LEGEND_CONSTANTS(:,2) = strpad('k_1NO in component model_constant (flux)'); LEGEND_CONSTANTS(:,3) = strpad('k_4NO in component model_constant (second_order_rate_constant)'); LEGEND_CONSTANTS(:,4) = strpad('k_12aNO in component model_constant (rate2)'); LEGEND_CONSTANTS(:,5) = strpad('k_12bNOp in component model_constant (second_order_rate_constant)'); LEGEND_CONSTANTS(:,6) = strpad('k_12bNOm in component model_constant (first_order_rate_constant)'); LEGEND_CONSTANTS(:,7) = strpad('k_14NO in component model_constant (first_order_rate_constant)'); LEGEND_CONSTANTS(:,8) = strpad('k_15NO in component model_constant (second_order_rate_constant)'); LEGEND_CONSTANTS(:,9) = strpad('k_16NO in component model_constant (second_order_rate_constant)'); LEGEND_CONSTANTS(:,10) = strpad('SOD in component O_2m (micromolar)'); LEGEND_CONSTANTS(:,30) = strpad('r_2NO in component O_2m (flux)'); LEGEND_ALGEBRAIC(:,8) = strpad('r_5NO in component O_2m (flux)'); LEGEND_ALGEBRAIC(:,9) = strpad('r_10NO in component O_2m (flux)'); LEGEND_CONSTANTS(:,11) = strpad('k_2NO in component model_constant (flux)'); LEGEND_CONSTANTS(:,12) = strpad('k_5NO in component model_constant (second_order_rate_constant)'); LEGEND_CONSTANTS(:,13) = strpad('k_10NO in component model_constant (rate2)'); LEGEND_STATES(:,8) = strpad('ONOO_m in component ONOO_m (micromolar)'); LEGEND_STATES(:,9) = strpad('GSH in component GSH (micromolar)'); LEGEND_CONSTANTS(:,14) = strpad('GPX in component ONOO_m (micromolar)'); LEGEND_CONSTANTS(:,15) = strpad('CO_2 in component ONOO_m (micromolar)'); LEGEND_CONSTANTS(:,16) = strpad('Cyt_c in component ONOO_m (micromolar)'); LEGEND_ALGEBRAIC(:,10) = strpad('r_6NO in component ONOO_m (flux)'); LEGEND_ALGEBRAIC(:,11) = strpad('r_7NO in component ONOO_m (flux)'); LEGEND_ALGEBRAIC(:,13) = strpad('r_8NO in component ONOO_m (flux)'); LEGEND_ALGEBRAIC(:,15) = strpad('r_9NO in component ONOO_m (flux)'); LEGEND_CONSTANTS(:,17) = strpad('k_6NO in component model_constant (second_order_rate_constant)'); LEGEND_CONSTANTS(:,18) = strpad('k_7NO in component model_constant (second_order_rate_constant)'); LEGEND_CONSTANTS(:,19) = strpad('k_8NO in component model_constant (second_order_rate_constant)'); LEGEND_CONSTANTS(:,20) = strpad('k_9NO in component model_constant (second_order_rate_constant)'); LEGEND_ALGEBRAIC(:,14) = strpad('GSSG in component GSH (micromolar)'); LEGEND_ALGEBRAIC(:,12) = strpad('FeLnNO in component GSH (micromolar)'); LEGEND_CONSTANTS(:,21) = strpad('FeLn_0 in component model_constant (micromolar)'); LEGEND_CONSTANTS(:,22) = strpad('GSH_0 in component model_constant (micromolar)'); LEGEND_ALGEBRAIC(:,16) = strpad('r_11NO in component GSH (flux)'); LEGEND_ALGEBRAIC(:,17) = strpad('r_m in component GSH (flux)'); LEGEND_ALGEBRAIC(:,19) = strpad('r_17NO in component GSH (flux)'); LEGEND_CONSTANTS(:,23) = strpad('k_11NO in component model_constant (second_order_rate_constant)'); LEGEND_CONSTANTS(:,24) = strpad('v_m in component model_constant (flux)'); LEGEND_CONSTANTS(:,25) = strpad('k_m in component model_constant (micromolar)'); LEGEND_CONSTANTS(:,26) = strpad('k_17NO in component model_constant (second_order_rate_constant)'); LEGEND_ALGEBRAIC(:,18) = strpad('r_13NO in component N2O3 (flux)'); LEGEND_CONSTANTS(:,27) = strpad('k_13NO in component model_constant (first_order_rate_constant)'); LEGEND_CONSTANTS(:,28) = strpad('k_17bNO in component model_constant (second_order_rate_constant)'); LEGEND_RATES(:,1) = strpad('d/dt NO in component NO (micromolar)'); LEGEND_RATES(:,6) = strpad('d/dt CcOX in component NO (micromolar)'); LEGEND_RATES(:,3) = strpad('d/dt NO_2 in component NO (micromolar)'); LEGEND_RATES(:,2) = strpad('d/dt O_2m in component O_2m (micromolar)'); LEGEND_RATES(:,8) = strpad('d/dt ONOO_m in component ONOO_m (micromolar)'); LEGEND_RATES(:,9) = strpad('d/dt GSH in component GSH (micromolar)'); LEGEND_RATES(:,5) = strpad('d/dt GSNO in component GSNO (micromolar)'); LEGEND_RATES(:,4) = strpad('d/dt N2O3 in component N2O3 (micromolar)'); LEGEND_RATES(:,7) = strpad('d/dt FeLn in component FeLn (micromolar)'); 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) = 0; STATES(:,2) = 0; CONSTANTS(:,1) = 35; STATES(:,3) = 0; STATES(:,4) = 0; STATES(:,5) = 0; STATES(:,6) = 0.1; STATES(:,7) = 0.05; CONSTANTS(:,2) = 1; CONSTANTS(:,3) = 6700; CONSTANTS(:,4) = 0.000006; CONSTANTS(:,5) = 1100; CONSTANTS(:,6) = 81000; CONSTANTS(:,7) = 0.0002; CONSTANTS(:,8) = 100; CONSTANTS(:,9) = 1.21; CONSTANTS(:,10) = 10; CONSTANTS(:,11) = 0.1; CONSTANTS(:,12) = 2400; CONSTANTS(:,13) = 0.0006; STATES(:,8) = 0; STATES(:,9) = 10000; CONSTANTS(:,14) = 5.8; CONSTANTS(:,15) = 1000; CONSTANTS(:,16) = 400; CONSTANTS(:,17) = 0.00135; CONSTANTS(:,18) = 2; CONSTANTS(:,19) = 0.058; CONSTANTS(:,20) = 0.025; CONSTANTS(:,21) = 0.05; CONSTANTS(:,22) = 10000; CONSTANTS(:,23) = 66; CONSTANTS(:,24) = 320; CONSTANTS(:,25) = 50; CONSTANTS(:,26) = 66; CONSTANTS(:,27) = 1600; CONSTANTS(:,28) = 0.0002; CONSTANTS(:,29) = CONSTANTS(:,2); CONSTANTS(:,30) = CONSTANTS(:,11); 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(:,2) = CONSTANTS(:,4).*power(STATES(:,1), 2.00000).*CONSTANTS(:,1); ALGEBRAIC(:,3) = CONSTANTS(:,5).*STATES(:,3).*STATES(:,1); ALGEBRAIC(:,4) = CONSTANTS(:,6).*STATES(:,4); RATES(:,3) = ( 2.00000.*ALGEBRAIC(:,2) - ALGEBRAIC(:,3))+ALGEBRAIC(:,4); ALGEBRAIC(:,6) = CONSTANTS(:,8).*STATES(:,6).*STATES(:,1); RATES(:,6) = - ALGEBRAIC(:,6); ALGEBRAIC(:,1) = CONSTANTS(:,3).*STATES(:,1).*STATES(:,2); ALGEBRAIC(:,5) = CONSTANTS(:,7).*STATES(:,5); ALGEBRAIC(:,7) = CONSTANTS(:,9).*STATES(:,7).*STATES(:,1); RATES(:,1) = (((((CONSTANTS(:,29) - ALGEBRAIC(:,1)) - 2.00000.*ALGEBRAIC(:,2)) - ALGEBRAIC(:,3))+ALGEBRAIC(:,4)+ALGEBRAIC(:,5)) - ALGEBRAIC(:,6)) - ALGEBRAIC(:,7); ALGEBRAIC(:,8) = CONSTANTS(:,12).*CONSTANTS(:,10).*STATES(:,2); ALGEBRAIC(:,9) = CONSTANTS(:,13).*power(STATES(:,5), 2.00000).*STATES(:,2); RATES(:,2) = ((CONSTANTS(:,30) - ALGEBRAIC(:,1)) - ALGEBRAIC(:,8)) - ALGEBRAIC(:,9); ALGEBRAIC(:,10) = CONSTANTS(:,17).*STATES(:,8).*STATES(:,9); ALGEBRAIC(:,11) = CONSTANTS(:,18).*STATES(:,8).*CONSTANTS(:,14); ALGEBRAIC(:,13) = CONSTANTS(:,19).*STATES(:,8).*CONSTANTS(:,15); ALGEBRAIC(:,15) = CONSTANTS(:,20).*STATES(:,8).*CONSTANTS(:,16); RATES(:,8) = (((ALGEBRAIC(:,1) - ALGEBRAIC(:,10)) - ALGEBRAIC(:,11)) - ALGEBRAIC(:,13)) - ALGEBRAIC(:,15); ALGEBRAIC(:,16) = CONSTANTS(:,23).*STATES(:,4).*STATES(:,9); ALGEBRAIC(:,18) = CONSTANTS(:,27).*STATES(:,4); RATES(:,4) = (( - ALGEBRAIC(:,16)+ALGEBRAIC(:,3)) - ALGEBRAIC(:,4)) - ALGEBRAIC(:,18); ALGEBRAIC(:,14) = ((CONSTANTS(:,22) - STATES(:,9)) - STATES(:,5))./2.00000; ALGEBRAIC(:,17) = ( CONSTANTS(:,24).*ALGEBRAIC(:,14))./(CONSTANTS(:,25)+ALGEBRAIC(:,14)); ALGEBRAIC(:,12) = CONSTANTS(:,21) - STATES(:,7); ALGEBRAIC(:,19) = CONSTANTS(:,26).*ALGEBRAIC(:,12).*STATES(:,9); RATES(:,9) = (( - ALGEBRAIC(:,10) - ALGEBRAIC(:,16))+ 2.00000.*ALGEBRAIC(:,17)) - ALGEBRAIC(:,19); RATES(:,5) = (((ALGEBRAIC(:,10) - 2.00000.*ALGEBRAIC(:,9))+ALGEBRAIC(:,16)) - ALGEBRAIC(:,5))+ALGEBRAIC(:,19); RATES(:,7) = - ALGEBRAIC(:,7)+ALGEBRAIC(:,19); 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(:,4).*power(STATES(:,1), 2.00000).*CONSTANTS(:,1); ALGEBRAIC(:,3) = CONSTANTS(:,5).*STATES(:,3).*STATES(:,1); ALGEBRAIC(:,4) = CONSTANTS(:,6).*STATES(:,4); ALGEBRAIC(:,6) = CONSTANTS(:,8).*STATES(:,6).*STATES(:,1); ALGEBRAIC(:,1) = CONSTANTS(:,3).*STATES(:,1).*STATES(:,2); ALGEBRAIC(:,5) = CONSTANTS(:,7).*STATES(:,5); ALGEBRAIC(:,7) = CONSTANTS(:,9).*STATES(:,7).*STATES(:,1); ALGEBRAIC(:,8) = CONSTANTS(:,12).*CONSTANTS(:,10).*STATES(:,2); ALGEBRAIC(:,9) = CONSTANTS(:,13).*power(STATES(:,5), 2.00000).*STATES(:,2); ALGEBRAIC(:,10) = CONSTANTS(:,17).*STATES(:,8).*STATES(:,9); ALGEBRAIC(:,11) = CONSTANTS(:,18).*STATES(:,8).*CONSTANTS(:,14); ALGEBRAIC(:,13) = CONSTANTS(:,19).*STATES(:,8).*CONSTANTS(:,15); ALGEBRAIC(:,15) = CONSTANTS(:,20).*STATES(:,8).*CONSTANTS(:,16); ALGEBRAIC(:,16) = CONSTANTS(:,23).*STATES(:,4).*STATES(:,9); ALGEBRAIC(:,18) = CONSTANTS(:,27).*STATES(:,4); ALGEBRAIC(:,14) = ((CONSTANTS(:,22) - STATES(:,9)) - STATES(:,5))./2.00000; ALGEBRAIC(:,17) = ( CONSTANTS(:,24).*ALGEBRAIC(:,14))./(CONSTANTS(:,25)+ALGEBRAIC(:,14)); ALGEBRAIC(:,12) = CONSTANTS(:,21) - STATES(:,7); ALGEBRAIC(:,19) = CONSTANTS(:,26).*ALGEBRAIC(:,12).*STATES(:,9); 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