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 =11; end % There are a total of 4 entries in each of the rate and state variable arrays. % There are a total of 21 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_ALGEBRAIC(:,1) = strpad('Metin in component environment (flux)'); LEGEND_STATES(:,1) = strpad('Met in component Met (micromolar)'); LEGEND_ALGEBRAIC(:,8) = strpad('V_MS in component V_MS (flux)'); LEGEND_ALGEBRAIC(:,11) = strpad('V_BHMT in component V_BHMT (flux)'); LEGEND_ALGEBRAIC(:,2) = strpad('V_MATI in component V_MATI (flux)'); LEGEND_ALGEBRAIC(:,4) = strpad('V_MATIII in component V_MATIII (flux)'); LEGEND_STATES(:,2) = strpad('AdoMet in component AdoMet (micromolar)'); LEGEND_ALGEBRAIC(:,7) = strpad('V_METH in component V_METH (flux)'); LEGEND_ALGEBRAIC(:,5) = strpad('V_GNMT in component V_GNMT (flux)'); LEGEND_STATES(:,3) = strpad('AdoHcy in component AdoHcy (micromolar)'); LEGEND_ALGEBRAIC(:,9) = strpad('V_AH in component V_AH (flux)'); LEGEND_STATES(:,4) = strpad('Hcy in component Hcy (micromolar)'); LEGEND_ALGEBRAIC(:,10) = strpad('V_CBS in component V_CBS (flux)'); LEGEND_CONSTANTS(:,1) = strpad('V_MATImax in component V_MATI (flux)'); LEGEND_CONSTANTS(:,2) = strpad('Km_MATI in component V_MATI (micromolar)'); LEGEND_CONSTANTS(:,3) = strpad('Ki_MATI in component V_MATI (micromolar)'); LEGEND_CONSTANTS(:,4) = strpad('V_MATIIImax in component V_MATIII (flux)'); LEGEND_ALGEBRAIC(:,3) = strpad('Km1_MATIII in component V_MATIII (micromolar)'); LEGEND_CONSTANTS(:,5) = strpad('Km2_MATIII in component V_MATIII (micromolar)'); LEGEND_CONSTANTS(:,6) = strpad('V_GNMTmax in component V_GNMT (flux)'); LEGEND_CONSTANTS(:,7) = strpad('Km_GNMT in component V_GNMT (micromolar)'); LEGEND_CONSTANTS(:,8) = strpad('Ki_GNMT in component V_GNMT (micromolar)'); LEGEND_CONSTANTS(:,9) = strpad('V_METHmax in component V_METH (flux)'); LEGEND_ALGEBRAIC(:,6) = strpad('Km1_METH in component V_METH (micromolar)'); LEGEND_CONSTANTS(:,10) = strpad('Km2_METH_A in component V_METH (dimensionless)'); LEGEND_CONSTANTS(:,11) = strpad('five_mTHF in component V_MS (micromolar)'); LEGEND_CONSTANTS(:,12) = strpad('V_MSmax in component V_MS (flux)'); LEGEND_CONSTANTS(:,13) = strpad('Kd_MS in component V_MS (micromolar)'); LEGEND_CONSTANTS(:,14) = strpad('Km_Hcy_MS in component V_MS (micromolar)'); LEGEND_CONSTANTS(:,15) = strpad('Km_five_mTHF_MS in component V_MS (micromolar)'); LEGEND_CONSTANTS(:,16) = strpad('alpha1 in component V_AH (first_order_rate_constant)'); LEGEND_CONSTANTS(:,17) = strpad('alpha2 in component V_AH (dimensionless)'); LEGEND_CONSTANTS(:,18) = strpad('beta1 in component V_CBS (second_order_rate_constant)'); LEGEND_CONSTANTS(:,19) = strpad('beta2 in component V_CBS (first_order_rate_constant)'); LEGEND_CONSTANTS(:,20) = strpad('V_BHMTmax in component V_BHMT (flux)'); LEGEND_CONSTANTS(:,21) = strpad('Km_BHMT in component V_BHMT (micromolar)'); LEGEND_RATES(:,1) = strpad('d/dt Met in component Met (micromolar)'); LEGEND_RATES(:,2) = strpad('d/dt AdoMet in component AdoMet (micromolar)'); LEGEND_RATES(:,3) = strpad('d/dt AdoHcy in component AdoHcy (micromolar)'); LEGEND_RATES(:,4) = strpad('d/dt Hcy in component Hcy (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) = 53.5; STATES(:,2) = 137.6; STATES(:,3) = 13.2; STATES(:,4) = 0.88; CONSTANTS(:,1) = 561; CONSTANTS(:,2) = 41; CONSTANTS(:,3) = 50; CONSTANTS(:,4) = 22870; CONSTANTS(:,5) = 21.1; CONSTANTS(:,6) = 10600; CONSTANTS(:,7) = 4500; CONSTANTS(:,8) = 20; CONSTANTS(:,9) = 4521; CONSTANTS(:,10) = 10; CONSTANTS(:,11) = 5.2; CONSTANTS(:,12) = 500; CONSTANTS(:,13) = 1; CONSTANTS(:,14) = 0.1; CONSTANTS(:,15) = 25; CONSTANTS(:,16) = 100; CONSTANTS(:,17) = 10; CONSTANTS(:,18) = 1.7; CONSTANTS(:,19) = 30; CONSTANTS(:,20) = 2500; CONSTANTS(:,21) = 12; 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(:,1)./(1.00000+ (CONSTANTS(:,2)./STATES(:,1)).*(1.00000+STATES(:,2)./CONSTANTS(:,3))); ALGEBRAIC(:,3) = 20000.0./(1.00000+ 5.70000.*power(STATES(:,2)./(STATES(:,2)+600.000), 2.00000)); ALGEBRAIC(:,4) = CONSTANTS(:,4)./(1.00000+( ALGEBRAIC(:,3).*CONSTANTS(:,5))./(power(STATES(:,1), 2.00000)+ STATES(:,1).*CONSTANTS(:,5))); ALGEBRAIC(:,6) = 1.00000.*(1.00000+STATES(:,3)./4.00000); ALGEBRAIC(:,7) = CONSTANTS(:,9)./(1.00000+ALGEBRAIC(:,6)./STATES(:,2)+CONSTANTS(:,10)+( CONSTANTS(:,10).*ALGEBRAIC(:,6))./STATES(:,2)); ALGEBRAIC(:,5) = ( (CONSTANTS(:,6)./(1.00000+power(CONSTANTS(:,7)./STATES(:,2), 2.30000))).*1.00000)./(1.00000+STATES(:,3)./CONSTANTS(:,8)); RATES(:,2) = (ALGEBRAIC(:,2)+ALGEBRAIC(:,4)) - (ALGEBRAIC(:,7)+ALGEBRAIC(:,5)); ALGEBRAIC(:,9) = CONSTANTS(:,16).*(STATES(:,3) - CONSTANTS(:,17).*STATES(:,4)); RATES(:,3) = (ALGEBRAIC(:,7)+ALGEBRAIC(:,5)) - ALGEBRAIC(:,9); ALGEBRAIC(:,1) = piecewise({VOI<2.00000||VOI>=8.00000, 200.000 , VOI>=2.00000&VOI<5.00000, 300.000 , VOI>=5.00000&VOI<8.00000, 100.000 }, 200.000); ALGEBRAIC(:,8) = ( CONSTANTS(:,12).*CONSTANTS(:,11).*STATES(:,4))./( CONSTANTS(:,13).*CONSTANTS(:,14)+ CONSTANTS(:,14).*CONSTANTS(:,11)+ CONSTANTS(:,15).*STATES(:,4)+ CONSTANTS(:,11).*STATES(:,4)); ALGEBRAIC(:,11) = ( (0.700000 - 0.0250000.*((STATES(:,2)+STATES(:,3)) - 150.000)).*CONSTANTS(:,20).*STATES(:,4))./(CONSTANTS(:,21)+STATES(:,4)); RATES(:,1) = (ALGEBRAIC(:,8)+ALGEBRAIC(:,11)+ALGEBRAIC(:,1)) - (ALGEBRAIC(:,2)+ALGEBRAIC(:,4)); ALGEBRAIC(:,10) = ( CONSTANTS(:,18).*(STATES(:,2)+STATES(:,3)) - CONSTANTS(:,19)).*STATES(:,4); RATES(:,4) = ALGEBRAIC(:,9) - (ALGEBRAIC(:,10)+ALGEBRAIC(:,8)+ALGEBRAIC(:,11)); 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(:,1)./(1.00000+ (CONSTANTS(:,2)./STATES(:,1)).*(1.00000+STATES(:,2)./CONSTANTS(:,3))); ALGEBRAIC(:,3) = 20000.0./(1.00000+ 5.70000.*power(STATES(:,2)./(STATES(:,2)+600.000), 2.00000)); ALGEBRAIC(:,4) = CONSTANTS(:,4)./(1.00000+( ALGEBRAIC(:,3).*CONSTANTS(:,5))./(power(STATES(:,1), 2.00000)+ STATES(:,1).*CONSTANTS(:,5))); ALGEBRAIC(:,6) = 1.00000.*(1.00000+STATES(:,3)./4.00000); ALGEBRAIC(:,7) = CONSTANTS(:,9)./(1.00000+ALGEBRAIC(:,6)./STATES(:,2)+CONSTANTS(:,10)+( CONSTANTS(:,10).*ALGEBRAIC(:,6))./STATES(:,2)); ALGEBRAIC(:,5) = ( (CONSTANTS(:,6)./(1.00000+power(CONSTANTS(:,7)./STATES(:,2), 2.30000))).*1.00000)./(1.00000+STATES(:,3)./CONSTANTS(:,8)); ALGEBRAIC(:,9) = CONSTANTS(:,16).*(STATES(:,3) - CONSTANTS(:,17).*STATES(:,4)); ALGEBRAIC(:,1) = piecewise({VOI<2.00000||VOI>=8.00000, 200.000 , VOI>=2.00000&VOI<5.00000, 300.000 , VOI>=5.00000&VOI<8.00000, 100.000 }, 200.000); ALGEBRAIC(:,8) = ( CONSTANTS(:,12).*CONSTANTS(:,11).*STATES(:,4))./( CONSTANTS(:,13).*CONSTANTS(:,14)+ CONSTANTS(:,14).*CONSTANTS(:,11)+ CONSTANTS(:,15).*STATES(:,4)+ CONSTANTS(:,11).*STATES(:,4)); ALGEBRAIC(:,11) = ( (0.700000 - 0.0250000.*((STATES(:,2)+STATES(:,3)) - 150.000)).*CONSTANTS(:,20).*STATES(:,4))./(CONSTANTS(:,21)+STATES(:,4)); ALGEBRAIC(:,10) = ( CONSTANTS(:,18).*(STATES(:,2)+STATES(:,3)) - CONSTANTS(:,19)).*STATES(:,4); end % Compute result of a piecewise function function x = piecewise(cases, default) set = [0]; for i = 1:2:length(cases) if (length(cases{i+1}) == 1) x(cases{i} & ~set,:) = cases{i+1}; else x(cases{i} & ~set,:) = cases{i+1}(cases{i} & ~set); end set = set | cases{i}; if(set), break, end end if (length(default) == 1) x(~set,:) = default; else x(~set,:) = default(~set); end 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