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 =17; end % There are a total of 10 entries in each of the rate and state variable arrays. % There are a total of 19 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('C_6PG in component C_6PG (millimolar)'); LEGEND_CONSTANTS(:,1) = strpad('mu in component model_constants (per_hour)'); LEGEND_ALGEBRAIC(:,4) = strpad('rG6PDH in component rG6PDH (flux)'); LEGEND_ALGEBRAIC(:,10) = strpad('r6PGDH in component r6PGDH (flux)'); LEGEND_STATES(:,2) = strpad('C_Ru5P in component C_Ru5P (millimolar)'); LEGEND_ALGEBRAIC(:,12) = strpad('rRu5PE in component rRu5PE (flux)'); LEGEND_ALGEBRAIC(:,11) = strpad('rR5PI in component rR5PI (flux)'); LEGEND_STATES(:,3) = strpad('C_R5P in component C_R5P (millimolar)'); LEGEND_ALGEBRAIC(:,13) = strpad('rTKL1 in component rTKL1 (flux)'); LEGEND_ALGEBRAIC(:,14) = strpad('rRPPK in component rRPPK (flux)'); LEGEND_STATES(:,4) = strpad('C_X5P in component C_X5P (millimolar)'); LEGEND_ALGEBRAIC(:,16) = strpad('rTKL2 in component rTKL2 (flux)'); LEGEND_STATES(:,5) = strpad('C_S7P in component C_S7P (millimolar)'); LEGEND_ALGEBRAIC(:,15) = strpad('rTAL in component rTAL (flux)'); LEGEND_STATES(:,6) = strpad('C_E4P in component C_E4P (millimolar)'); LEGEND_ALGEBRAIC(:,17) = strpad('rPKDA in component rPKDA (flux)'); LEGEND_STATES(:,7) = strpad('C_G6P in component C_G6P (millimolar)'); LEGEND_ALGEBRAIC(:,1) = strpad('dC_G6P_dt in component C_G6P (flux)'); LEGEND_STATES(:,8) = strpad('C_NADP in component C_NADP (millimolar)'); LEGEND_STATES(:,9) = strpad('C_NADPH in component C_NADPH (millimolar)'); LEGEND_STATES(:,10) = strpad('C_MgATP in component C_MgATP (millimolar)'); LEGEND_CONSTANTS(:,2) = strpad('K_NADP_1 in component rG6PDH (millimolar)'); LEGEND_CONSTANTS(:,3) = strpad('Ki_NADPH_1 in component rG6PDH (millimolar)'); LEGEND_CONSTANTS(:,4) = strpad('Ki_MgATP_1 in component rG6PDH (millimolar)'); LEGEND_ALGEBRAIC(:,2) = strpad('I_NADPH_1 in component rG6PDH (dimensionless)'); LEGEND_ALGEBRAIC(:,3) = strpad('I_MgATP_1 in component rG6PDH (dimensionless)'); LEGEND_CONSTANTS(:,5) = strpad('rmax_G6PDH in component rG6PDH (flux)'); LEGEND_CONSTANTS(:,6) = strpad('K_NADP_2 in component r6PGDH (millimolar)'); LEGEND_CONSTANTS(:,7) = strpad('Ki_NADPH_2 in component r6PGDH (millimolar)'); LEGEND_CONSTANTS(:,8) = strpad('Ki_MgATP_2 in component r6PGDH (millimolar)'); LEGEND_ALGEBRAIC(:,5) = strpad('I_NADPH_2 in component r6PGDH (dimensionless)'); LEGEND_ALGEBRAIC(:,7) = strpad('I_MgATP_2 in component r6PGDH (dimensionless)'); LEGEND_CONSTANTS(:,9) = strpad('rmax_6PGDH in component r6PGDH (flux)'); LEGEND_CONSTANTS(:,10) = strpad('rmax_R5PI in component rR5PI (millimole_per_second)'); LEGEND_CONSTANTS(:,11) = strpad('rmax_Ru5PE in component rRu5PE (millimole_per_second)'); LEGEND_CONSTANTS(:,12) = strpad('rmax_TKL1 in component rTKL1 (millimole_per_second)'); LEGEND_CONSTANTS(:,13) = strpad('C_GAP in component model_constants (millimolar)'); LEGEND_CONSTANTS(:,14) = strpad('rmax_TAL in component rTAL (millimole_per_second)'); LEGEND_CONSTANTS(:,15) = strpad('rmax_TKL2 in component rTKL2 (millimole_per_second)'); LEGEND_CONSTANTS(:,16) = strpad('K_PKDA in component rPKDA (millimolar)'); LEGEND_CONSTANTS(:,17) = strpad('rmax_PKDA in component rPKDA (millimole_per_second)'); LEGEND_CONSTANTS(:,18) = strpad('K_RPPK in component rRPPK (millimolar)'); LEGEND_CONSTANTS(:,19) = strpad('rmax_RPPK in component rRPPK (millimole_per_second)'); LEGEND_ALGEBRAIC(:,8) = strpad('rHK in component rHK (flux)'); LEGEND_ALGEBRAIC(:,6) = strpad('qs in component model_constants (flux)'); LEGEND_ALGEBRAIC(:,9) = strpad('rPGI in component rPGI (flux)'); LEGEND_RATES(:,1) = strpad('d/dt C_6PG in component C_6PG (millimolar)'); LEGEND_RATES(:,2) = strpad('d/dt C_Ru5P in component C_Ru5P (millimolar)'); LEGEND_RATES(:,3) = strpad('d/dt C_R5P in component C_R5P (millimolar)'); LEGEND_RATES(:,4) = strpad('d/dt C_X5P in component C_X5P (millimolar)'); LEGEND_RATES(:,5) = strpad('d/dt C_S7P in component C_S7P (millimolar)'); LEGEND_RATES(:,6) = strpad('d/dt C_E4P in component C_E4P (millimolar)'); LEGEND_RATES(:,7) = strpad('d/dt C_G6P in component C_G6P (millimolar)'); LEGEND_RATES(:,8) = strpad('d/dt C_NADP in component C_NADP (millimolar)'); LEGEND_RATES(:,9) = strpad('d/dt C_NADPH in component C_NADPH (millimolar)'); LEGEND_RATES(:,10) = strpad('d/dt C_MgATP in component C_MgATP (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) = 0.25; CONSTANTS(:,1) = 1.0; STATES(:,2) = 0.033; STATES(:,3) = 0.118; STATES(:,4) = 0.041; STATES(:,5) = 0.082; STATES(:,6) = 0.029; STATES(:,7) = 0.9; STATES(:,8) = 0.168; STATES(:,9) = 0.168; STATES(:,10) = 2.3; CONSTANTS(:,2) = 0.116; CONSTANTS(:,3) = 1.702; CONSTANTS(:,4) = 0.33; CONSTANTS(:,5) = 44.19; CONSTANTS(:,6) = 1.848; CONSTANTS(:,7) = 0.055; CONSTANTS(:,8) = 0.109; CONSTANTS(:,9) = 0.654; CONSTANTS(:,10) = 0.57; CONSTANTS(:,11) = 0.85; CONSTANTS(:,12) = 3.24; CONSTANTS(:,13) = 0.064; CONSTANTS(:,14) = 3.0; CONSTANTS(:,15) = 10.5; CONSTANTS(:,16) = 0.0032; CONSTANTS(:,17) = 0.004; CONSTANTS(:,18) = 0.0034; CONSTANTS(:,19) = 0.003; 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 RATES(:,8) = -1.48000./(9.17000+ 16.1000.*VOI+ 0.480000.*power(VOI, 2.00000))+ (( 1.48000.*VOI)./( (9.17000+ 16.1000.*VOI+ 0.480000.*power(VOI, 2.00000)).*(9.17000+ 16.1000.*VOI+ 0.480000.*power(VOI, 2.00000)))).*(16.1000+ 0.960000.*VOI); RATES(:,9) = 0.516000./(25.3900+ 0.370000.*VOI+ 0.500000.*power(VOI, 2.00000)) - (( 0.516000.*VOI)./( (25.3900+ 0.370000.*VOI+ 0.500000.*power(VOI, 2.00000)).*(25.3900+ 0.370000.*VOI+ 0.500000.*power(VOI, 2.00000)))).*(0.370000+ 1.00000.*VOI); RATES(:,10) = 29.8300./(29.7700+ 13.4200.*VOI+ 0.0500000.*power(VOI, 2.00000)) - (( 29.8300.*VOI)./( (29.7700+ 13.4200.*VOI+ 0.0500000.*power(VOI, 2.00000)).*(29.7700+ 13.4200.*VOI+ 0.0500000.*power(VOI, 2.00000)))).*(13.4200+ 0.100000.*VOI); ALGEBRAIC(:,1) = 44.1000./(48.0000+ 1.00000.*VOI+ 0.450000.*power(VOI, 2.00000))+ (( 44.1000.*VOI)./( (48.0000+ 1.00000.*VOI+ 0.450000.*power(VOI, 2.00000)).*(48.0000+ 1.00000.*VOI+ 0.450000.*power(VOI, 2.00000)))).*(1.00000+ 0.900000.*VOI); RATES(:,7) = ALGEBRAIC(:,1); ALGEBRAIC(:,2) = 1.00000+STATES(:,9)./CONSTANTS(:,3); ALGEBRAIC(:,3) = 1.00000+STATES(:,10)./CONSTANTS(:,4); ALGEBRAIC(:,4) = CONSTANTS(:,5).*(STATES(:,8)./( (STATES(:,8)+ CONSTANTS(:,2).*ALGEBRAIC(:,2)).*ALGEBRAIC(:,3))); ALGEBRAIC(:,5) = 1.00000+STATES(:,9)./CONSTANTS(:,7); ALGEBRAIC(:,7) = 1.00000+STATES(:,10)./CONSTANTS(:,8); ALGEBRAIC(:,10) = CONSTANTS(:,9).*(STATES(:,8)./( (STATES(:,8)+ CONSTANTS(:,6).*ALGEBRAIC(:,5)).*ALGEBRAIC(:,7))); RATES(:,1) = ALGEBRAIC(:,4) - (ALGEBRAIC(:,10)+ CONSTANTS(:,1).*STATES(:,1)); ALGEBRAIC(:,12) = 1.00000.*CONSTANTS(:,11).*STATES(:,2); ALGEBRAIC(:,11) = 1.00000.*CONSTANTS(:,10).*STATES(:,2); RATES(:,2) = ALGEBRAIC(:,10) - (ALGEBRAIC(:,11)+ALGEBRAIC(:,12)+ CONSTANTS(:,1).*STATES(:,2)); ALGEBRAIC(:,13) = 1.00000.*CONSTANTS(:,12).*STATES(:,4).*STATES(:,3); ALGEBRAIC(:,14) = 1.00000.*CONSTANTS(:,19).*(STATES(:,3)./(STATES(:,3)+CONSTANTS(:,18))); RATES(:,3) = ALGEBRAIC(:,11) - (ALGEBRAIC(:,13)+ALGEBRAIC(:,14)+ CONSTANTS(:,1).*STATES(:,3)); ALGEBRAIC(:,15) = 1.00000.*CONSTANTS(:,14).*CONSTANTS(:,13).*STATES(:,5); RATES(:,5) = ALGEBRAIC(:,13) - (ALGEBRAIC(:,15)+ CONSTANTS(:,1).*STATES(:,5)); ALGEBRAIC(:,16) = 1.00000.*CONSTANTS(:,15).*STATES(:,6).*STATES(:,4); RATES(:,4) = ALGEBRAIC(:,12) - (ALGEBRAIC(:,13)+ALGEBRAIC(:,16)+ CONSTANTS(:,1).*STATES(:,4)); ALGEBRAIC(:,17) = 1.00000.*CONSTANTS(:,17).*(STATES(:,6)./(STATES(:,6)+CONSTANTS(:,16))); RATES(:,6) = ALGEBRAIC(:,15) - (ALGEBRAIC(:,16)+ALGEBRAIC(:,17)+ CONSTANTS(:,1).*STATES(:,6)); 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) = 44.1000./(48.0000+ 1.00000.*VOI+ 0.450000.*power(VOI, 2.00000))+ (( 44.1000.*VOI)./( (48.0000+ 1.00000.*VOI+ 0.450000.*power(VOI, 2.00000)).*(48.0000+ 1.00000.*VOI+ 0.450000.*power(VOI, 2.00000)))).*(1.00000+ 0.900000.*VOI); ALGEBRAIC(:,2) = 1.00000+STATES(:,9)./CONSTANTS(:,3); ALGEBRAIC(:,3) = 1.00000+STATES(:,10)./CONSTANTS(:,4); ALGEBRAIC(:,4) = CONSTANTS(:,5).*(STATES(:,8)./( (STATES(:,8)+ CONSTANTS(:,2).*ALGEBRAIC(:,2)).*ALGEBRAIC(:,3))); ALGEBRAIC(:,5) = 1.00000+STATES(:,9)./CONSTANTS(:,7); ALGEBRAIC(:,7) = 1.00000+STATES(:,10)./CONSTANTS(:,8); ALGEBRAIC(:,10) = CONSTANTS(:,9).*(STATES(:,8)./( (STATES(:,8)+ CONSTANTS(:,6).*ALGEBRAIC(:,5)).*ALGEBRAIC(:,7))); ALGEBRAIC(:,12) = 1.00000.*CONSTANTS(:,11).*STATES(:,2); ALGEBRAIC(:,11) = 1.00000.*CONSTANTS(:,10).*STATES(:,2); ALGEBRAIC(:,13) = 1.00000.*CONSTANTS(:,12).*STATES(:,4).*STATES(:,3); ALGEBRAIC(:,14) = 1.00000.*CONSTANTS(:,19).*(STATES(:,3)./(STATES(:,3)+CONSTANTS(:,18))); ALGEBRAIC(:,15) = 1.00000.*CONSTANTS(:,14).*CONSTANTS(:,13).*STATES(:,5); ALGEBRAIC(:,16) = 1.00000.*CONSTANTS(:,15).*STATES(:,6).*STATES(:,4); ALGEBRAIC(:,17) = 1.00000.*CONSTANTS(:,17).*(STATES(:,6)./(STATES(:,6)+CONSTANTS(:,16))); ALGEBRAIC(:,6) = piecewise({VOI<0.00000, 0.131000 }, 0.546000); ALGEBRAIC(:,8) = ALGEBRAIC(:,6); ALGEBRAIC(:,9) = ALGEBRAIC(:,6) - (ALGEBRAIC(:,4)+ CONSTANTS(:,1).*STATES(:,7)+ALGEBRAIC(:,1)); 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