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 =16; end % There are a total of 9 entries in each of the rate and state variable arrays. % There are a total of 16 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 (hour)'); LEGEND_STATES(:,1) = strpad('A in component A (molecules)'); LEGEND_ALGEBRAIC(:,1) = strpad('RXN1 in component RXN1 (flux)'); LEGEND_ALGEBRAIC(:,2) = strpad('RXN2 in component RXN2 (flux)'); LEGEND_ALGEBRAIC(:,5) = strpad('RXN5 in component RXN5 (flux)'); LEGEND_ALGEBRAIC(:,11) = strpad('RXN11 in component RXN11 (flux)'); LEGEND_ALGEBRAIC(:,6) = strpad('RXN6 in component RXN6 (flux)'); LEGEND_ALGEBRAIC(:,10) = strpad('RXN10 in component RXN10 (flux)'); LEGEND_ALGEBRAIC(:,12) = strpad('RXN12 in component RXN12 (flux)'); LEGEND_STATES(:,2) = strpad('C in component C (molecules)'); LEGEND_ALGEBRAIC(:,3) = strpad('RXN3 in component RXN3 (flux)'); LEGEND_STATES(:,3) = strpad('DA in component DA (molecules)'); LEGEND_ALGEBRAIC(:,7) = strpad('RXN7 in component RXN7 (flux)'); LEGEND_STATES(:,4) = strpad('DAp in component DAp (molecules)'); LEGEND_ALGEBRAIC(:,8) = strpad('RXN8 in component RXN8 (flux)'); LEGEND_STATES(:,5) = strpad('DR in component DR (molecules)'); LEGEND_ALGEBRAIC(:,13) = strpad('RXN13 in component RXN13 (flux)'); LEGEND_STATES(:,6) = strpad('DRP in component DRP (molecules)'); LEGEND_ALGEBRAIC(:,14) = strpad('RXN14 in component RXN14 (flux)'); LEGEND_STATES(:,7) = strpad('MA in component MA (molecules)'); LEGEND_ALGEBRAIC(:,9) = strpad('RXN9 in component RXN9 (flux)'); LEGEND_STATES(:,8) = strpad('MR in component MR (molecules)'); LEGEND_ALGEBRAIC(:,15) = strpad('RXN15 in component RXN15 (flux)'); LEGEND_ALGEBRAIC(:,16) = strpad('RXN16 in component RXN16 (flux)'); LEGEND_STATES(:,9) = strpad('R in component R (molecules)'); LEGEND_ALGEBRAIC(:,4) = strpad('RXN4 in component RXN4 (flux)'); LEGEND_CONSTANTS(:,1) = strpad('Gamma_1 in component RXN1 (second_order_rate)'); LEGEND_CONSTANTS(:,2) = strpad('Delta_1 in component RXN2 (first_order_rate)'); LEGEND_CONSTANTS(:,3) = strpad('Delta_2 in component RXN3 (first_order_rate)'); LEGEND_CONSTANTS(:,4) = strpad('Delta_3 in component RXN4 (first_order_rate)'); LEGEND_CONSTANTS(:,5) = strpad('Gamma_2 in component RXN5 (second_order_rate)'); LEGEND_CONSTANTS(:,6) = strpad('Thetha_1 in component RXN6 (first_order_rate)'); LEGEND_CONSTANTS(:,7) = strpad('Alpha_1 in component RXN7 (first_order_rate)'); LEGEND_CONSTANTS(:,8) = strpad('Alpha_2 in component RXN8 (first_order_rate)'); LEGEND_CONSTANTS(:,9) = strpad('Delta_4 in component RXN9 (first_order_rate)'); LEGEND_CONSTANTS(:,10) = strpad('BetaA_1 in component RXN10 (first_order_rate)'); LEGEND_CONSTANTS(:,11) = strpad('Gamma_3 in component RXN11 (second_order_rate)'); LEGEND_CONSTANTS(:,12) = strpad('Theta_2 in component RXN12 (first_order_rate)'); LEGEND_CONSTANTS(:,13) = strpad('Alpha_3 in component RXN13 (first_order_rate)'); LEGEND_CONSTANTS(:,14) = strpad('Alpha_4 in component RXN14 (first_order_rate)'); LEGEND_CONSTANTS(:,15) = strpad('Delta_5 in component RXN15 (first_order_rate)'); LEGEND_CONSTANTS(:,16) = strpad('BetaR_1 in component RXN16 (first_order_rate)'); LEGEND_RATES(:,1) = strpad('d/dt A in component A (molecules)'); LEGEND_RATES(:,2) = strpad('d/dt C in component C (molecules)'); LEGEND_RATES(:,3) = strpad('d/dt DA in component DA (molecules)'); LEGEND_RATES(:,4) = strpad('d/dt DAp in component DAp (molecules)'); LEGEND_RATES(:,5) = strpad('d/dt DR in component DR (molecules)'); LEGEND_RATES(:,6) = strpad('d/dt DRP in component DRP (molecules)'); LEGEND_RATES(:,7) = strpad('d/dt MA in component MA (molecules)'); LEGEND_RATES(:,8) = strpad('d/dt MR in component MR (molecules)'); LEGEND_RATES(:,9) = strpad('d/dt R in component R (molecules)'); 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) = 0.0; STATES(:,2) = 0.0; STATES(:,3) = 1; STATES(:,4) = 0.0; STATES(:,5) = 1; STATES(:,6) = 1; STATES(:,7) = 0.0; STATES(:,8) = 0.0; STATES(:,9) = 0.0; CONSTANTS(:,1) = 2; CONSTANTS(:,2) = 1; CONSTANTS(:,3) = 1; CONSTANTS(:,4) = 0.2; CONSTANTS(:,5) = 1; CONSTANTS(:,6) = 50; CONSTANTS(:,7) = 50; CONSTANTS(:,8) = 500; CONSTANTS(:,9) = 10; CONSTANTS(:,10) = 50; CONSTANTS(:,11) = 1; CONSTANTS(:,12) = 100; CONSTANTS(:,13) = 0.01; CONSTANTS(:,14) = 50; CONSTANTS(:,15) = 0.5; CONSTANTS(:,16) = 5; 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(:,1).*STATES(:,9).*CONSTANTS(:,1); ALGEBRAIC(:,3) = STATES(:,2).*CONSTANTS(:,3); RATES(:,2) = (1.00000./1.00000).*( - 1.00000.*ALGEBRAIC(:,3)+ALGEBRAIC(:,1)); ALGEBRAIC(:,5) = STATES(:,1).*STATES(:,3).*CONSTANTS(:,5); ALGEBRAIC(:,6) = STATES(:,4).*CONSTANTS(:,6); ALGEBRAIC(:,7) = STATES(:,3).*CONSTANTS(:,7); RATES(:,3) = (1.00000./1.00000).*( -1.00000.*ALGEBRAIC(:,5)+ -1.00000.*ALGEBRAIC(:,7)+ALGEBRAIC(:,6)+ALGEBRAIC(:,7)); ALGEBRAIC(:,8) = STATES(:,4).*CONSTANTS(:,8); RATES(:,4) = (1.00000./1.00000).*( -1.00000.*ALGEBRAIC(:,6)+ -1.00000.*ALGEBRAIC(:,8)+ALGEBRAIC(:,5)+ALGEBRAIC(:,8)); ALGEBRAIC(:,10) = STATES(:,7).*CONSTANTS(:,10); ALGEBRAIC(:,9) = STATES(:,7).*CONSTANTS(:,9); RATES(:,7) = (1.00000./1.00000).*( -1.00000.*ALGEBRAIC(:,9)+ -1.00000.*ALGEBRAIC(:,10)+ALGEBRAIC(:,7)+ALGEBRAIC(:,8)+ALGEBRAIC(:,10)); ALGEBRAIC(:,2) = STATES(:,1).*CONSTANTS(:,2); ALGEBRAIC(:,11) = STATES(:,1).*STATES(:,5).*CONSTANTS(:,11); ALGEBRAIC(:,12) = STATES(:,6).*CONSTANTS(:,12); RATES(:,1) = (1.00000./1.00000).*( - 1.00000.*ALGEBRAIC(:,1)+ - 1.00000.*ALGEBRAIC(:,2)+ - 1.00000.*ALGEBRAIC(:,5)+ - 1.00000.*ALGEBRAIC(:,11)+ALGEBRAIC(:,6)+ALGEBRAIC(:,10)+ALGEBRAIC(:,12)); ALGEBRAIC(:,13) = STATES(:,5).*CONSTANTS(:,13); RATES(:,5) = (1.00000./1.00000).*( -1.00000.*ALGEBRAIC(:,11)+ -1.00000.*ALGEBRAIC(:,13)+ALGEBRAIC(:,12)+ALGEBRAIC(:,13)); ALGEBRAIC(:,14) = STATES(:,6).*CONSTANTS(:,14); RATES(:,6) = (1.00000./1.00000).*( -1.00000.*ALGEBRAIC(:,12)+ -1.00000.*ALGEBRAIC(:,14)+ALGEBRAIC(:,11)+ALGEBRAIC(:,14)); ALGEBRAIC(:,15) = STATES(:,8).*CONSTANTS(:,15); ALGEBRAIC(:,16) = STATES(:,8).*CONSTANTS(:,16); RATES(:,8) = (1.00000./1.00000).*( -1.00000.*ALGEBRAIC(:,15)+ -1.00000.*ALGEBRAIC(:,16)+ALGEBRAIC(:,13)+ALGEBRAIC(:,14)+ALGEBRAIC(:,16)); ALGEBRAIC(:,4) = STATES(:,9).*CONSTANTS(:,4); RATES(:,9) = (1.00000./1.00000).*( -1.00000.*ALGEBRAIC(:,1)+ -1.00000.*ALGEBRAIC(:,4)+ALGEBRAIC(:,3)+ALGEBRAIC(:,16)); 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(:,1).*STATES(:,9).*CONSTANTS(:,1); ALGEBRAIC(:,3) = STATES(:,2).*CONSTANTS(:,3); ALGEBRAIC(:,5) = STATES(:,1).*STATES(:,3).*CONSTANTS(:,5); ALGEBRAIC(:,6) = STATES(:,4).*CONSTANTS(:,6); ALGEBRAIC(:,7) = STATES(:,3).*CONSTANTS(:,7); ALGEBRAIC(:,8) = STATES(:,4).*CONSTANTS(:,8); ALGEBRAIC(:,10) = STATES(:,7).*CONSTANTS(:,10); ALGEBRAIC(:,9) = STATES(:,7).*CONSTANTS(:,9); ALGEBRAIC(:,2) = STATES(:,1).*CONSTANTS(:,2); ALGEBRAIC(:,11) = STATES(:,1).*STATES(:,5).*CONSTANTS(:,11); ALGEBRAIC(:,12) = STATES(:,6).*CONSTANTS(:,12); ALGEBRAIC(:,13) = STATES(:,5).*CONSTANTS(:,13); ALGEBRAIC(:,14) = STATES(:,6).*CONSTANTS(:,14); ALGEBRAIC(:,15) = STATES(:,8).*CONSTANTS(:,15); ALGEBRAIC(:,16) = STATES(:,8).*CONSTANTS(:,16); ALGEBRAIC(:,4) = STATES(:,9).*CONSTANTS(:,4); 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