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 =13; end % There are a total of 14 entries in each of the rate and state variable arrays. % There are a total of 18 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('O2 in component O2 (molar)'); LEGEND_ALGEBRAIC(:,1) = strpad('v1 in component v1 (flux)'); LEGEND_ALGEBRAIC(:,5) = strpad('v5 in component v5 (flux)'); LEGEND_ALGEBRAIC(:,7) = strpad('v7 in component v7 (flux)'); LEGEND_ALGEBRAIC(:,11) = strpad('v11 in component v11 (flux)'); LEGEND_ALGEBRAIC(:,13) = strpad('v13_back in component v13_back (flux)'); LEGEND_CONSTANTS(:,18) = strpad('v13 in component v13 (flux)'); LEGEND_STATES(:,2) = strpad('O2_radical in component O2_radical (molar)'); LEGEND_ALGEBRAIC(:,6) = strpad('v6 in component v6 (flux)'); LEGEND_STATES(:,3) = strpad('NADH in component NADH (molar)'); LEGEND_CONSTANTS(:,17) = strpad('v12 in component v12 (flux)'); LEGEND_ALGEBRAIC(:,12) = strpad('v14 in component v14 (flux)'); LEGEND_STATES(:,4) = strpad('NAD in component NAD (molar)'); LEGEND_ALGEBRAIC(:,8) = strpad('v8 in component v8 (flux)'); LEGEND_ALGEBRAIC(:,10) = strpad('v10 in component v10 (flux)'); LEGEND_STATES(:,5) = strpad('NAD_radical in component NAD_radical (molar)'); LEGEND_ALGEBRAIC(:,9) = strpad('v9 in component v9 (flux)'); LEGEND_STATES(:,6) = strpad('NAD2 in component NAD2 (molar)'); LEGEND_STATES(:,7) = strpad('H2O2 in component H2O2 (molar)'); LEGEND_ALGEBRAIC(:,2) = strpad('v2 in component v2 (flux)'); LEGEND_STATES(:,8) = strpad('Per3 in component Per3 (molar)'); LEGEND_ALGEBRAIC(:,4) = strpad('v4 in component v4 (flux)'); LEGEND_STATES(:,9) = strpad('Per2 in component Per2 (molar)'); LEGEND_STATES(:,10) = strpad('coI in component coI (molar)'); LEGEND_ALGEBRAIC(:,3) = strpad('v3 in component v3 (flux)'); LEGEND_STATES(:,11) = strpad('coII in component coII (molar)'); LEGEND_STATES(:,12) = strpad('coIII in component coIII (molar)'); LEGEND_STATES(:,13) = strpad('Ar_radical in component Ar_radical (molar)'); LEGEND_STATES(:,14) = strpad('ArH in component ArH (molar)'); LEGEND_CONSTANTS(:,1) = strpad('k1 in component v1 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,2) = strpad('k2 in component v2 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,3) = strpad('k3 in component v3 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,4) = strpad('k4 in component v4 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,5) = strpad('k5 in component v5 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,6) = strpad('k6 in component v6 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,7) = strpad('k7 in component v7 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,8) = strpad('k8 in component v8 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,9) = strpad('k9 in component v9 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,10) = strpad('k10 in component v10 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,11) = strpad('k11 in component v11 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,12) = strpad('k12 in component v12 (flux)'); LEGEND_CONSTANTS(:,13) = strpad('O2eq in component v13 (molar)'); LEGEND_CONSTANTS(:,14) = strpad('k13 in component v13 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,15) = strpad('k13_ in component v13_back (first_order_rate_constant)'); LEGEND_CONSTANTS(:,16) = strpad('k14 in component v14 (second_order_rate_constant)'); LEGEND_RATES(:,1) = strpad('d/dt O2 in component O2 (molar)'); LEGEND_RATES(:,2) = strpad('d/dt O2_radical in component O2_radical (molar)'); LEGEND_RATES(:,3) = strpad('d/dt NADH in component NADH (molar)'); LEGEND_RATES(:,4) = strpad('d/dt NAD in component NAD (molar)'); LEGEND_RATES(:,5) = strpad('d/dt NAD_radical in component NAD_radical (molar)'); LEGEND_RATES(:,6) = strpad('d/dt NAD2 in component NAD2 (molar)'); LEGEND_RATES(:,7) = strpad('d/dt H2O2 in component H2O2 (molar)'); LEGEND_RATES(:,8) = strpad('d/dt Per3 in component Per3 (molar)'); LEGEND_RATES(:,9) = strpad('d/dt Per2 in component Per2 (molar)'); LEGEND_RATES(:,10) = strpad('d/dt coI in component coI (molar)'); LEGEND_RATES(:,11) = strpad('d/dt coII in component coII (molar)'); LEGEND_RATES(:,12) = strpad('d/dt coIII in component coIII (molar)'); LEGEND_RATES(:,13) = strpad('d/dt Ar_radical in component Ar_radical (molar)'); LEGEND_RATES(:,14) = strpad('d/dt ArH in component ArH (molar)'); 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) = 5.33e-6; STATES(:,2) = 0.026e-6; STATES(:,3) = 0.95e-6; STATES(:,4) = 558e-6; STATES(:,5) = 5e-10; STATES(:,6) = 0.12e-6; STATES(:,7) = 0.013e-6; STATES(:,8) = 0.059e-6; STATES(:,9) = 1e-10; STATES(:,10) = 8.9e-10; STATES(:,11) = 0.026e-6; STATES(:,12) = 1.31e-6; STATES(:,13) = 0.12e-6; STATES(:,14) = 299.88e-6; CONSTANTS(:,1) = 3; CONSTANTS(:,2) = 1.8e7; CONSTANTS(:,3) = 1.5e5; CONSTANTS(:,4) = 5.2e3; CONSTANTS(:,5) = 2e7; CONSTANTS(:,6) = 1.7e7; CONSTANTS(:,7) = 2e7; CONSTANTS(:,8) = 4e7; CONSTANTS(:,9) = 6e7; CONSTANTS(:,10) = 1.8e6; CONSTANTS(:,11) = 1e5; CONSTANTS(:,12) = 0.08e-6; CONSTANTS(:,13) = 1.2e-5; CONSTANTS(:,14) = 6e-3; CONSTANTS(:,15) = 6e-3; CONSTANTS(:,16) = 7e5; CONSTANTS(:,17) = CONSTANTS(:,12); CONSTANTS(:,18) = CONSTANTS(:,14).*CONSTANTS(:,13); 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(:,4) = CONSTANTS(:,4).*STATES(:,11).*STATES(:,14); ALGEBRAIC(:,3) = CONSTANTS(:,3).*STATES(:,10).*STATES(:,14); RATES(:,11) = ALGEBRAIC(:,3) - ALGEBRAIC(:,4); ALGEBRAIC(:,5) = CONSTANTS(:,5).*STATES(:,5).*STATES(:,1); ALGEBRAIC(:,7) = CONSTANTS(:,7).*power(STATES(:,2), 2.00000); ALGEBRAIC(:,6) = CONSTANTS(:,6).*STATES(:,2).*STATES(:,8); RATES(:,2) = (ALGEBRAIC(:,5) - ALGEBRAIC(:,6)) - 2.00000.*ALGEBRAIC(:,7); ALGEBRAIC(:,1) = CONSTANTS(:,1).*STATES(:,3).*STATES(:,1); ALGEBRAIC(:,2) = CONSTANTS(:,2).*STATES(:,7).*STATES(:,8); RATES(:,7) = (ALGEBRAIC(:,1) - ALGEBRAIC(:,2)) - ALGEBRAIC(:,7); ALGEBRAIC(:,8) = CONSTANTS(:,8).*STATES(:,12).*STATES(:,5); RATES(:,10) = (ALGEBRAIC(:,2) - ALGEBRAIC(:,3))+ALGEBRAIC(:,8); ALGEBRAIC(:,9) = CONSTANTS(:,9).*power(STATES(:,5), 2.00000); RATES(:,6) = ALGEBRAIC(:,9); ALGEBRAIC(:,10) = CONSTANTS(:,10).*STATES(:,8).*STATES(:,5); RATES(:,4) = ALGEBRAIC(:,1)+ALGEBRAIC(:,5)+ALGEBRAIC(:,8)+ALGEBRAIC(:,10); RATES(:,8) = (( - ALGEBRAIC(:,2)+ALGEBRAIC(:,4)) - ALGEBRAIC(:,6)) - ALGEBRAIC(:,10); ALGEBRAIC(:,12) = CONSTANTS(:,16).*STATES(:,13).*STATES(:,3); RATES(:,3) = ( - ALGEBRAIC(:,1)+CONSTANTS(:,17)) - ALGEBRAIC(:,12); RATES(:,5) = ((( - 2.00000.*ALGEBRAIC(:,9) - ALGEBRAIC(:,5)) - ALGEBRAIC(:,8)) - ALGEBRAIC(:,10))+ALGEBRAIC(:,12); ALGEBRAIC(:,11) = CONSTANTS(:,11).*STATES(:,9).*STATES(:,1); RATES(:,9) = - ALGEBRAIC(:,11)+ALGEBRAIC(:,10); RATES(:,12) = (ALGEBRAIC(:,6) - ALGEBRAIC(:,8))+ALGEBRAIC(:,11); RATES(:,13) = (ALGEBRAIC(:,3)+ALGEBRAIC(:,4)) - ALGEBRAIC(:,12); RATES(:,14) = ( - ALGEBRAIC(:,3) - ALGEBRAIC(:,4))+ALGEBRAIC(:,12); ALGEBRAIC(:,13) = CONSTANTS(:,15).*STATES(:,1); RATES(:,1) = (((( - ALGEBRAIC(:,1) - ALGEBRAIC(:,5))+ALGEBRAIC(:,7)) - ALGEBRAIC(:,11))+CONSTANTS(:,18)) - ALGEBRAIC(:,13); 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(:,4) = CONSTANTS(:,4).*STATES(:,11).*STATES(:,14); ALGEBRAIC(:,3) = CONSTANTS(:,3).*STATES(:,10).*STATES(:,14); ALGEBRAIC(:,5) = CONSTANTS(:,5).*STATES(:,5).*STATES(:,1); ALGEBRAIC(:,7) = CONSTANTS(:,7).*power(STATES(:,2), 2.00000); ALGEBRAIC(:,6) = CONSTANTS(:,6).*STATES(:,2).*STATES(:,8); ALGEBRAIC(:,1) = CONSTANTS(:,1).*STATES(:,3).*STATES(:,1); ALGEBRAIC(:,2) = CONSTANTS(:,2).*STATES(:,7).*STATES(:,8); ALGEBRAIC(:,8) = CONSTANTS(:,8).*STATES(:,12).*STATES(:,5); ALGEBRAIC(:,9) = CONSTANTS(:,9).*power(STATES(:,5), 2.00000); ALGEBRAIC(:,10) = CONSTANTS(:,10).*STATES(:,8).*STATES(:,5); ALGEBRAIC(:,12) = CONSTANTS(:,16).*STATES(:,13).*STATES(:,3); ALGEBRAIC(:,11) = CONSTANTS(:,11).*STATES(:,9).*STATES(:,1); ALGEBRAIC(:,13) = CONSTANTS(:,15).*STATES(:,1); 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