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 10 entries in each of the rate and state variable arrays. % There are a total of 31 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('ATP in component ATP (micromolar)'); LEGEND_CONSTANTS(:,1) = strpad('V_hyd in component V_hyd (flux)'); LEGEND_ALGEBRAIC(:,2) = strpad('V_MMCK in component V_MMCK (flux)'); LEGEND_ALGEBRAIC(:,9) = strpad('J_ATP in component J_ATP (flux)'); LEGEND_CONSTANTS(:,2) = strpad('V_cyt in component fractional_volumes (dimensionless)'); LEGEND_STATES(:,2) = strpad('ADP in component ADP (micromolar)'); LEGEND_ALGEBRAIC(:,10) = strpad('J_ADP in component J_ADP (flux)'); LEGEND_STATES(:,3) = strpad('PCr in component PCr (micromolar)'); LEGEND_ALGEBRAIC(:,6) = strpad('J_PCr in component J_PCr (flux)'); LEGEND_STATES(:,4) = strpad('Cr in component Cr (micromolar)'); LEGEND_ALGEBRAIC(:,7) = strpad('J_Cr in component J_Cr (flux)'); LEGEND_STATES(:,5) = strpad('Pi in component Pi (micromolar)'); LEGEND_ALGEBRAIC(:,11) = strpad('J_Pi in component J_Pi (flux)'); LEGEND_STATES(:,6) = strpad('ATP_i in component ATP_i (micromolar)'); LEGEND_ALGEBRAIC(:,4) = strpad('V_MiCK in component V_MiCK (flux)'); LEGEND_ALGEBRAIC(:,8) = strpad('V_syn in component V_syn (flux)'); LEGEND_CONSTANTS(:,3) = strpad('V_ims in component fractional_volumes (dimensionless)'); LEGEND_STATES(:,7) = strpad('ADP_i in component ADP_i (micromolar)'); LEGEND_STATES(:,8) = strpad('PCr_i in component PCr_i (micromolar)'); LEGEND_STATES(:,9) = strpad('Cr_i in component Cr_i (micromolar)'); LEGEND_STATES(:,10) = strpad('Pi_i in component Pi_i (micromolar)'); LEGEND_ALGEBRAIC(:,1) = strpad('Den_MMCK in component V_MMCK (dimensionless)'); LEGEND_CONSTANTS(:,4) = strpad('Kia in component V_MMCK (micromolar)'); LEGEND_CONSTANTS(:,5) = strpad('Kb in component V_MMCK (micromolar)'); LEGEND_CONSTANTS(:,6) = strpad('Kib in component V_MMCK (micromolar)'); LEGEND_CONSTANTS(:,28) = strpad('KIb in component V_MMCK (micromolar)'); LEGEND_CONSTANTS(:,29) = strpad('Kc in component V_MMCK (micromolar)'); LEGEND_CONSTANTS(:,7) = strpad('Kic in component V_MMCK (micromolar)'); LEGEND_CONSTANTS(:,8) = strpad('Kd in component V_MMCK (micromolar)'); LEGEND_CONSTANTS(:,9) = strpad('Kid in component V_MMCK (micromolar)'); LEGEND_CONSTANTS(:,10) = strpad('Vf in component V_MMCK (flux)'); LEGEND_CONSTANTS(:,11) = strpad('Vb in component V_MMCK (flux)'); LEGEND_ALGEBRAIC(:,3) = strpad('Den_MiCK in component V_MiCK (dimensionless)'); LEGEND_CONSTANTS(:,12) = strpad('Kia in component V_MiCK (micromolar)'); LEGEND_CONSTANTS(:,13) = strpad('Kb in component V_MiCK (micromolar)'); LEGEND_CONSTANTS(:,14) = strpad('Kib in component V_MiCK (micromolar)'); LEGEND_CONSTANTS(:,30) = strpad('KIb in component V_MiCK (micromolar)'); LEGEND_CONSTANTS(:,31) = strpad('Kc in component V_MiCK (micromolar)'); LEGEND_CONSTANTS(:,15) = strpad('Kic in component V_MiCK (micromolar)'); LEGEND_CONSTANTS(:,16) = strpad('Kd in component V_MiCK (micromolar)'); LEGEND_CONSTANTS(:,17) = strpad('Kid in component V_MiCK (micromolar)'); LEGEND_CONSTANTS(:,18) = strpad('Vf in component V_MiCK (flux)'); LEGEND_CONSTANTS(:,19) = strpad('Vb in component V_MiCK (flux)'); LEGEND_ALGEBRAIC(:,5) = strpad('Den_syn in component V_syn (dimensionless)'); LEGEND_CONSTANTS(:,20) = strpad('KPi in component V_syn (micromolar)'); LEGEND_CONSTANTS(:,21) = strpad('KADP in component V_syn (micromolar)'); LEGEND_CONSTANTS(:,22) = strpad('V_syn_max in component V_syn (flux)'); LEGEND_CONSTANTS(:,23) = strpad('R_ATP in component J_ATP (first_order_rate_constant)'); LEGEND_CONSTANTS(:,24) = strpad('R_ADP in component J_ADP (first_order_rate_constant)'); LEGEND_CONSTANTS(:,25) = strpad('R_PCr in component J_PCr (first_order_rate_constant)'); LEGEND_CONSTANTS(:,26) = strpad('R_Cr in component J_Cr (first_order_rate_constant)'); LEGEND_CONSTANTS(:,27) = strpad('R_Pi in component J_Pi (first_order_rate_constant)'); LEGEND_RATES(:,1) = strpad('d/dt ATP in component ATP (micromolar)'); LEGEND_RATES(:,2) = strpad('d/dt ADP in component ADP (micromolar)'); LEGEND_RATES(:,3) = strpad('d/dt PCr in component PCr (micromolar)'); LEGEND_RATES(:,4) = strpad('d/dt Cr in component Cr (micromolar)'); LEGEND_RATES(:,5) = strpad('d/dt Pi in component Pi (micromolar)'); LEGEND_RATES(:,6) = strpad('d/dt ATP_i in component ATP_i (micromolar)'); LEGEND_RATES(:,7) = strpad('d/dt ADP_i in component ADP_i (micromolar)'); LEGEND_RATES(:,8) = strpad('d/dt PCr_i in component PCr_i (micromolar)'); LEGEND_RATES(:,9) = strpad('d/dt Cr_i in component Cr_i (micromolar)'); LEGEND_RATES(:,10) = strpad('d/dt Pi_i in component Pi_i (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) = 9644.425; CONSTANTS(:,1) = 4.6E3; CONSTANTS(:,2) = 0.75; STATES(:,2) = 60.0; STATES(:,3) = 12500.0; STATES(:,4) = 13500.0; STATES(:,5) = 8000.0; STATES(:,6) = 9644.425; CONSTANTS(:,3) = 0.0625; STATES(:,7) = 2.5; STATES(:,8) = 12500.0; STATES(:,9) = 13500.0; STATES(:,10) = 8000.0; CONSTANTS(:,4) = 9.0E2; CONSTANTS(:,5) = 1.55E4; CONSTANTS(:,6) = 3.49E4; CONSTANTS(:,7) = 2.224E2; CONSTANTS(:,8) = 1.67E3; CONSTANTS(:,9) = 4.73E3; CONSTANTS(:,10) = 6.966E3; CONSTANTS(:,11) = 2.925E4; CONSTANTS(:,12) = 7.5E2; CONSTANTS(:,13) = 5.2E3; CONSTANTS(:,14) = 2.88E4; CONSTANTS(:,15) = 2.048E2; CONSTANTS(:,16) = 5.0E2; CONSTANTS(:,17) = 1.6E3; CONSTANTS(:,18) = 2.658E3; CONSTANTS(:,19) = 1.116E4; CONSTANTS(:,20) = 20.0; CONSTANTS(:,21) = 8.0E2; CONSTANTS(:,22) = 4.6E3; CONSTANTS(:,23) = 8.16; CONSTANTS(:,24) = 8.16; CONSTANTS(:,25) = 14.6; CONSTANTS(:,26) = 14.6; CONSTANTS(:,27) = 18.4; CONSTANTS(:,28) = CONSTANTS(:,6); CONSTANTS(:,29) = ( CONSTANTS(:,7).*CONSTANTS(:,8))./CONSTANTS(:,9); CONSTANTS(:,30) = CONSTANTS(:,14); CONSTANTS(:,31) = ( CONSTANTS(:,15).*CONSTANTS(:,16))./CONSTANTS(:,17); 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) = 1.00000+STATES(:,4)./CONSTANTS(:,6)+STATES(:,3)./CONSTANTS(:,9)+ STATES(:,1).*(1.00000./CONSTANTS(:,4)+STATES(:,4)./( CONSTANTS(:,4).*CONSTANTS(:,5)))+ STATES(:,2).*(1.00000./CONSTANTS(:,7)+STATES(:,3)./( CONSTANTS(:,9).*CONSTANTS(:,29))+STATES(:,4)./( CONSTANTS(:,7).*CONSTANTS(:,28))); ALGEBRAIC(:,2) = ( CONSTANTS(:,10).*(( STATES(:,1).*STATES(:,4))./( CONSTANTS(:,4).*CONSTANTS(:,5))) - CONSTANTS(:,11).*(( STATES(:,2).*STATES(:,3))./( CONSTANTS(:,7).*CONSTANTS(:,8))))./ALGEBRAIC(:,1); ALGEBRAIC(:,6) = CONSTANTS(:,25).*(STATES(:,8) - STATES(:,3)); RATES(:,3) = (ALGEBRAIC(:,6)+ALGEBRAIC(:,2))./CONSTANTS(:,2); ALGEBRAIC(:,7) = CONSTANTS(:,26).*(STATES(:,9) - STATES(:,4)); RATES(:,4) = (ALGEBRAIC(:,7) - ALGEBRAIC(:,2))./CONSTANTS(:,2); ALGEBRAIC(:,3) = 1.00000+STATES(:,9)./CONSTANTS(:,14)+STATES(:,8)./CONSTANTS(:,17)+ STATES(:,6).*(1.00000./CONSTANTS(:,12)+STATES(:,9)./( CONSTANTS(:,12).*CONSTANTS(:,13)))+ STATES(:,7).*(1.00000./CONSTANTS(:,15)+STATES(:,8)./( CONSTANTS(:,17).*CONSTANTS(:,31))+STATES(:,9)./( CONSTANTS(:,15).*CONSTANTS(:,30))); ALGEBRAIC(:,4) = ( CONSTANTS(:,18).*(( STATES(:,6).*STATES(:,9))./( CONSTANTS(:,12).*CONSTANTS(:,13))) - CONSTANTS(:,19).*(( STATES(:,7).*STATES(:,8))./( CONSTANTS(:,15).*CONSTANTS(:,16))))./ALGEBRAIC(:,3); RATES(:,8) = (ALGEBRAIC(:,4) - ALGEBRAIC(:,6))./CONSTANTS(:,3); RATES(:,9) = - (ALGEBRAIC(:,4)+ALGEBRAIC(:,7))./CONSTANTS(:,3); ALGEBRAIC(:,9) = CONSTANTS(:,23).*(STATES(:,6) - STATES(:,1)); RATES(:,1) = (ALGEBRAIC(:,9) - (CONSTANTS(:,1)+ALGEBRAIC(:,2)))./CONSTANTS(:,2); ALGEBRAIC(:,10) = CONSTANTS(:,24).*(STATES(:,7) - STATES(:,2)); RATES(:,2) = (ALGEBRAIC(:,10)+CONSTANTS(:,1)+ALGEBRAIC(:,2))./CONSTANTS(:,2); ALGEBRAIC(:,11) = CONSTANTS(:,27).*(STATES(:,10) - STATES(:,5)); RATES(:,5) = (ALGEBRAIC(:,11)+CONSTANTS(:,1))./CONSTANTS(:,2); ALGEBRAIC(:,5) = 1.00000+STATES(:,7)./CONSTANTS(:,21)+STATES(:,10)./CONSTANTS(:,20)+( STATES(:,7).*STATES(:,10))./( CONSTANTS(:,21).*CONSTANTS(:,20)); ALGEBRAIC(:,8) = CONSTANTS(:,22).*(( STATES(:,7).*STATES(:,10))./( CONSTANTS(:,20).*CONSTANTS(:,21).*ALGEBRAIC(:,5))); RATES(:,6) = - (ALGEBRAIC(:,9)+ALGEBRAIC(:,8)+ALGEBRAIC(:,4))./CONSTANTS(:,3); RATES(:,7) = ((ALGEBRAIC(:,8)+ALGEBRAIC(:,4)) - ALGEBRAIC(:,10))./CONSTANTS(:,3); RATES(:,10) = (ALGEBRAIC(:,8) - ALGEBRAIC(:,11))./CONSTANTS(:,3); 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) = 1.00000+STATES(:,4)./CONSTANTS(:,6)+STATES(:,3)./CONSTANTS(:,9)+ STATES(:,1).*(1.00000./CONSTANTS(:,4)+STATES(:,4)./( CONSTANTS(:,4).*CONSTANTS(:,5)))+ STATES(:,2).*(1.00000./CONSTANTS(:,7)+STATES(:,3)./( CONSTANTS(:,9).*CONSTANTS(:,29))+STATES(:,4)./( CONSTANTS(:,7).*CONSTANTS(:,28))); ALGEBRAIC(:,2) = ( CONSTANTS(:,10).*(( STATES(:,1).*STATES(:,4))./( CONSTANTS(:,4).*CONSTANTS(:,5))) - CONSTANTS(:,11).*(( STATES(:,2).*STATES(:,3))./( CONSTANTS(:,7).*CONSTANTS(:,8))))./ALGEBRAIC(:,1); ALGEBRAIC(:,6) = CONSTANTS(:,25).*(STATES(:,8) - STATES(:,3)); ALGEBRAIC(:,7) = CONSTANTS(:,26).*(STATES(:,9) - STATES(:,4)); ALGEBRAIC(:,3) = 1.00000+STATES(:,9)./CONSTANTS(:,14)+STATES(:,8)./CONSTANTS(:,17)+ STATES(:,6).*(1.00000./CONSTANTS(:,12)+STATES(:,9)./( CONSTANTS(:,12).*CONSTANTS(:,13)))+ STATES(:,7).*(1.00000./CONSTANTS(:,15)+STATES(:,8)./( CONSTANTS(:,17).*CONSTANTS(:,31))+STATES(:,9)./( CONSTANTS(:,15).*CONSTANTS(:,30))); ALGEBRAIC(:,4) = ( CONSTANTS(:,18).*(( STATES(:,6).*STATES(:,9))./( CONSTANTS(:,12).*CONSTANTS(:,13))) - CONSTANTS(:,19).*(( STATES(:,7).*STATES(:,8))./( CONSTANTS(:,15).*CONSTANTS(:,16))))./ALGEBRAIC(:,3); ALGEBRAIC(:,9) = CONSTANTS(:,23).*(STATES(:,6) - STATES(:,1)); ALGEBRAIC(:,10) = CONSTANTS(:,24).*(STATES(:,7) - STATES(:,2)); ALGEBRAIC(:,11) = CONSTANTS(:,27).*(STATES(:,10) - STATES(:,5)); ALGEBRAIC(:,5) = 1.00000+STATES(:,7)./CONSTANTS(:,21)+STATES(:,10)./CONSTANTS(:,20)+( STATES(:,7).*STATES(:,10))./( CONSTANTS(:,21).*CONSTANTS(:,20)); ALGEBRAIC(:,8) = CONSTANTS(:,22).*(( STATES(:,7).*STATES(:,10))./( CONSTANTS(:,20).*CONSTANTS(:,21).*ALGEBRAIC(:,5))); 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