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 =23; end % There are a total of 13 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 (minute)'); LEGEND_STATES(:,1) = strpad('S1 in component S1 (millimolar)'); LEGEND_ALGEBRAIC(:,14) = strpad('v8 in component v8 (flux)'); LEGEND_ALGEBRAIC(:,16) = strpad('v9 in component v9 (flux)'); LEGEND_CONSTANTS(:,1) = strpad('S in component S (millimolar)'); LEGEND_ALGEBRAIC(:,1) = strpad('S2 in component S (millimolar)'); LEGEND_STATES(:,2) = strpad('sul in component sul (millimolar)'); LEGEND_ALGEBRAIC(:,6) = strpad('v1 in component v1 (flux)'); LEGEND_ALGEBRAIC(:,7) = strpad('v2 in component v2 (flux)'); LEGEND_STATES(:,3) = strpad('aps in component aps (millimolar)'); LEGEND_ALGEBRAIC(:,8) = strpad('v3 in component v3 (flux)'); LEGEND_STATES(:,4) = strpad('pap in component pap (millimolar)'); LEGEND_ALGEBRAIC(:,9) = strpad('v4 in component v4 (flux)'); LEGEND_STATES(:,5) = strpad('hyd in component hyd (millimolar)'); LEGEND_ALGEBRAIC(:,10) = strpad('v5 in component v5 (flux)'); LEGEND_ALGEBRAIC(:,12) = strpad('v17 in component v17 (flux)'); LEGEND_STATES(:,6) = strpad('cys in component cys (millimolar)'); LEGEND_ALGEBRAIC(:,13) = strpad('v6 in component v6 (flux)'); LEGEND_STATES(:,7) = strpad('eth in component eth (millimolar)'); LEGEND_CONSTANTS(:,2) = strpad('v13 in component v13 (flux)'); LEGEND_ALGEBRAIC(:,11) = strpad('v7 in component v7 (flux)'); LEGEND_STATES(:,8) = strpad('aco in component aco (millimolar)'); LEGEND_ALGEBRAIC(:,15) = strpad('v15 in component v15 (flux)'); LEGEND_STATES(:,9) = strpad('oxy in component oxy (millimolar)'); LEGEND_CONSTANTS(:,3) = strpad('v10 in component v10 (flux)'); LEGEND_ALGEBRAIC(:,19) = strpad('v11A in component v11A (flux)'); LEGEND_ALGEBRAIC(:,20) = strpad('v14 in component v14 (flux)'); LEGEND_STATES(:,10) = strpad('A3_c in component A3_c (millimolar)'); LEGEND_ALGEBRAIC(:,22) = strpad('v12 in component v12 (flux)'); LEGEND_ALGEBRAIC(:,23) = strpad('v16 in component v16 (flux)'); LEGEND_STATES(:,11) = strpad('A3_m in component A3_m (millimolar)'); LEGEND_ALGEBRAIC(:,21) = strpad('v11B in component v11B (flux)'); LEGEND_CONSTANTS(:,4) = strpad('A_c in component A_c (millimolar)'); LEGEND_ALGEBRAIC(:,2) = strpad('A2_c in component A_c (millimolar)'); LEGEND_CONSTANTS(:,5) = strpad('A_m in component A_m (millimolar)'); LEGEND_ALGEBRAIC(:,3) = strpad('A2_m in component A_m (millimolar)'); LEGEND_STATES(:,12) = strpad('N2 in component N2 (millimolar)'); LEGEND_CONSTANTS(:,6) = strpad('N in component N (millimolar)'); LEGEND_ALGEBRAIC(:,4) = strpad('N1 in component N (millimolar)'); LEGEND_STATES(:,13) = strpad('oah in component oah (millimolar)'); LEGEND_ALGEBRAIC(:,18) = strpad('v18 in component v18 (flux)'); LEGEND_CONSTANTS(:,7) = strpad('v0 in component v1 (flux)'); LEGEND_ALGEBRAIC(:,5) = strpad('f1 in component v1 (dimensionless)'); LEGEND_CONSTANTS(:,8) = strpad('n in component v1 (dimensionless)'); LEGEND_CONSTANTS(:,9) = strpad('Kc in component v1 (millimolar)'); LEGEND_CONSTANTS(:,10) = strpad('k2 in component v2 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,11) = strpad('k3 in component v3 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,12) = strpad('k4 in component v4 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,13) = strpad('k5 in component v5 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,14) = strpad('k6 in component v6 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,15) = strpad('k7 in component v7 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,16) = strpad('k8 in component v8 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,17) = strpad('k9 in component v9 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,18) = strpad('alpha in component v11A (dimensionless)'); LEGEND_ALGEBRAIC(:,17) = strpad('f2 in component v11A (dimensionless)'); LEGEND_CONSTANTS(:,19) = strpad('m in component v11A (dimensionless)'); LEGEND_CONSTANTS(:,20) = strpad('KH in component v11A (millimolar)'); LEGEND_CONSTANTS(:,21) = strpad('k11 in component v11A (first_order_rate_constant)'); LEGEND_CONSTANTS(:,22) = strpad('KA in component v11B (millimolar)'); LEGEND_CONSTANTS(:,23) = strpad('k12 in component v12 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,24) = strpad('k14 in component v14 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,25) = strpad('k15 in component v15 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,26) = strpad('k16 in component v16 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,27) = strpad('k17 in component v17 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,28) = strpad('k18 in component v18 (first_order_rate_constant)'); LEGEND_RATES(:,1) = strpad('d/dt S1 in component S1 (millimolar)'); LEGEND_RATES(:,2) = strpad('d/dt sul in component sul (millimolar)'); LEGEND_RATES(:,3) = strpad('d/dt aps in component aps (millimolar)'); LEGEND_RATES(:,4) = strpad('d/dt pap in component pap (millimolar)'); LEGEND_RATES(:,5) = strpad('d/dt hyd in component hyd (millimolar)'); LEGEND_RATES(:,6) = strpad('d/dt cys in component cys (millimolar)'); LEGEND_RATES(:,7) = strpad('d/dt eth in component eth (millimolar)'); LEGEND_RATES(:,8) = strpad('d/dt aco in component aco (millimolar)'); LEGEND_RATES(:,9) = strpad('d/dt oxy in component oxy (millimolar)'); LEGEND_RATES(:,10) = strpad('d/dt A3_c in component A3_c (millimolar)'); LEGEND_RATES(:,11) = strpad('d/dt A3_m in component A3_m (millimolar)'); LEGEND_RATES(:,12) = strpad('d/dt N2 in component N2 (millimolar)'); LEGEND_RATES(:,13) = strpad('d/dt oah in component oah (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) = 1.892468811; CONSTANTS(:,1) = 2; STATES(:,2) = 0.012871557; STATES(:,3) = 0.053366179; STATES(:,4) = 0.082791522; STATES(:,5) = 0.159317029; STATES(:,6) = 0.805117739; STATES(:,7) = 10.25246999; CONSTANTS(:,2) = 4; STATES(:,8) = 1.139360412; STATES(:,9) = 6.146549084; CONSTANTS(:,3) = 80; STATES(:,10) = 1.570847601; STATES(:,11) = 1.835158493; CONSTANTS(:,4) = 2; CONSTANTS(:,5) = 2; STATES(:,12) = 1.933616149; CONSTANTS(:,6) = 2; STATES(:,13) = 5.571685096; CONSTANTS(:,7) = 1.6; CONSTANTS(:,8) = 4; CONSTANTS(:,9) = 0.1; CONSTANTS(:,10) = 0.2; CONSTANTS(:,11) = 0.2; CONSTANTS(:,12) = 0.2; CONSTANTS(:,13) = 0.1; CONSTANTS(:,14) = 0.12; CONSTANTS(:,15) = 10; CONSTANTS(:,16) = 10; CONSTANTS(:,17) = 10; CONSTANTS(:,18) = 0.1; CONSTANTS(:,19) = 4; CONSTANTS(:,20) = 0.5; CONSTANTS(:,21) = 10; CONSTANTS(:,22) = 1; CONSTANTS(:,23) = 5; CONSTANTS(:,24) = 10; CONSTANTS(:,25) = 5; CONSTANTS(:,26) = 10; CONSTANTS(:,27) = 0.02; CONSTANTS(:,28) = 1; 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(:,5) = power(1.00000+power(STATES(:,6)./CONSTANTS(:,9), CONSTANTS(:,8)), - 1.00000); ALGEBRAIC(:,6) = CONSTANTS(:,7).*ALGEBRAIC(:,5); ALGEBRAIC(:,7) = CONSTANTS(:,10).*STATES(:,2).*STATES(:,10); RATES(:,2) = ALGEBRAIC(:,6) - ALGEBRAIC(:,7); ALGEBRAIC(:,8) = CONSTANTS(:,11).*STATES(:,3).*STATES(:,10); RATES(:,3) = ALGEBRAIC(:,7) - ALGEBRAIC(:,8); ALGEBRAIC(:,9) = CONSTANTS(:,12).*STATES(:,4).*STATES(:,12); RATES(:,4) = ALGEBRAIC(:,8) - ALGEBRAIC(:,9); ALGEBRAIC(:,10) = CONSTANTS(:,13).*STATES(:,5).*STATES(:,13); ALGEBRAIC(:,12) = CONSTANTS(:,27).*STATES(:,5); RATES(:,5) = ALGEBRAIC(:,9) - (ALGEBRAIC(:,10)+ALGEBRAIC(:,12)); ALGEBRAIC(:,13) = CONSTANTS(:,14).*STATES(:,6); RATES(:,6) = ALGEBRAIC(:,10) - ALGEBRAIC(:,13); ALGEBRAIC(:,4) = CONSTANTS(:,6) - STATES(:,12); ALGEBRAIC(:,11) = CONSTANTS(:,15).*STATES(:,7).*ALGEBRAIC(:,4); RATES(:,7) = CONSTANTS(:,2) - ALGEBRAIC(:,11); ALGEBRAIC(:,1) = CONSTANTS(:,1) - STATES(:,1); ALGEBRAIC(:,14) = CONSTANTS(:,16).*STATES(:,8).*ALGEBRAIC(:,1); ALGEBRAIC(:,16) = CONSTANTS(:,17).*STATES(:,1).*ALGEBRAIC(:,4); RATES(:,1) = ALGEBRAIC(:,14) - ALGEBRAIC(:,16); ALGEBRAIC(:,15) = CONSTANTS(:,25).*STATES(:,8); RATES(:,8) = ALGEBRAIC(:,11) - (ALGEBRAIC(:,14)+ALGEBRAIC(:,15)); ALGEBRAIC(:,18) = CONSTANTS(:,28).*STATES(:,13); RATES(:,13) = ALGEBRAIC(:,15) - (ALGEBRAIC(:,10)+ALGEBRAIC(:,18)); ALGEBRAIC(:,17) = power(1.00000+power(STATES(:,5)./CONSTANTS(:,20), CONSTANTS(:,19)), - 1.00000); ALGEBRAIC(:,19) = ( CONSTANTS(:,21).*STATES(:,12).*STATES(:,9).*ALGEBRAIC(:,17))./( CONSTANTS(:,18).*STATES(:,12)+STATES(:,9)); RATES(:,12) = ( 2.00000.*ALGEBRAIC(:,11)+ 4.00000.*ALGEBRAIC(:,16)) - ( 3.00000.*ALGEBRAIC(:,9)+ALGEBRAIC(:,19)); ALGEBRAIC(:,20) = CONSTANTS(:,24).*STATES(:,9); RATES(:,9) = CONSTANTS(:,3) - (ALGEBRAIC(:,19)+ALGEBRAIC(:,20)); ALGEBRAIC(:,22) = CONSTANTS(:,23).*STATES(:,10); ALGEBRAIC(:,2) = CONSTANTS(:,4) - STATES(:,10); ALGEBRAIC(:,23) = CONSTANTS(:,26).*STATES(:,11).*ALGEBRAIC(:,2); RATES(:,10) = ALGEBRAIC(:,23) - (ALGEBRAIC(:,7)+ALGEBRAIC(:,8)+ALGEBRAIC(:,22)); ALGEBRAIC(:,3) = CONSTANTS(:,5) - STATES(:,11); ALGEBRAIC(:,21) = ( 3.00000.*ALGEBRAIC(:,19).*ALGEBRAIC(:,3))./(CONSTANTS(:,22)+ALGEBRAIC(:,3)); RATES(:,11) = ALGEBRAIC(:,21) - ALGEBRAIC(:,23); 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(:,5) = power(1.00000+power(STATES(:,6)./CONSTANTS(:,9), CONSTANTS(:,8)), - 1.00000); ALGEBRAIC(:,6) = CONSTANTS(:,7).*ALGEBRAIC(:,5); ALGEBRAIC(:,7) = CONSTANTS(:,10).*STATES(:,2).*STATES(:,10); ALGEBRAIC(:,8) = CONSTANTS(:,11).*STATES(:,3).*STATES(:,10); ALGEBRAIC(:,9) = CONSTANTS(:,12).*STATES(:,4).*STATES(:,12); ALGEBRAIC(:,10) = CONSTANTS(:,13).*STATES(:,5).*STATES(:,13); ALGEBRAIC(:,12) = CONSTANTS(:,27).*STATES(:,5); ALGEBRAIC(:,13) = CONSTANTS(:,14).*STATES(:,6); ALGEBRAIC(:,4) = CONSTANTS(:,6) - STATES(:,12); ALGEBRAIC(:,11) = CONSTANTS(:,15).*STATES(:,7).*ALGEBRAIC(:,4); ALGEBRAIC(:,1) = CONSTANTS(:,1) - STATES(:,1); ALGEBRAIC(:,14) = CONSTANTS(:,16).*STATES(:,8).*ALGEBRAIC(:,1); ALGEBRAIC(:,16) = CONSTANTS(:,17).*STATES(:,1).*ALGEBRAIC(:,4); ALGEBRAIC(:,15) = CONSTANTS(:,25).*STATES(:,8); ALGEBRAIC(:,18) = CONSTANTS(:,28).*STATES(:,13); ALGEBRAIC(:,17) = power(1.00000+power(STATES(:,5)./CONSTANTS(:,20), CONSTANTS(:,19)), - 1.00000); ALGEBRAIC(:,19) = ( CONSTANTS(:,21).*STATES(:,12).*STATES(:,9).*ALGEBRAIC(:,17))./( CONSTANTS(:,18).*STATES(:,12)+STATES(:,9)); ALGEBRAIC(:,20) = CONSTANTS(:,24).*STATES(:,9); ALGEBRAIC(:,22) = CONSTANTS(:,23).*STATES(:,10); ALGEBRAIC(:,2) = CONSTANTS(:,4) - STATES(:,10); ALGEBRAIC(:,23) = CONSTANTS(:,26).*STATES(:,11).*ALGEBRAIC(:,2); ALGEBRAIC(:,3) = CONSTANTS(:,5) - STATES(:,11); ALGEBRAIC(:,21) = ( 3.00000.*ALGEBRAIC(:,19).*ALGEBRAIC(:,3))./(CONSTANTS(:,22)+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