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 =20; end % There are a total of 4 entries in each of the rate and state variable arrays. % There are a total of 51 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('t in component BG_HKE (second)'); LEGEND_CONSTANTS(:,1) = strpad('R in component params_BG (J_per_K_mol)'); LEGEND_CONSTANTS(:,2) = strpad('T in component params_BG (kelvin)'); LEGEND_CONSTANTS(:,3) = strpad('K_Ki in component params_BG (per_fmol)'); LEGEND_CONSTANTS(:,4) = strpad('K_Ko in component params_BG (per_fmol)'); LEGEND_CONSTANTS(:,5) = strpad('K_Pi in component params_BG (per_fmol)'); LEGEND_CONSTANTS(:,6) = strpad('K_ATPi in component params_BG (per_fmol)'); LEGEND_CONSTANTS(:,7) = strpad('K_Hi in component params_BG (per_fmol)'); LEGEND_CONSTANTS(:,8) = strpad('K_Ho in component params_BG (per_fmol)'); LEGEND_CONSTANTS(:,9) = strpad('K_ADPi in component params_BG (per_fmol)'); LEGEND_CONSTANTS(:,34) = strpad('q_init_Ki in component params_BG (fmol)'); LEGEND_CONSTANTS(:,31) = strpad('q_init_Ko in component params_BG (fmol)'); LEGEND_CONSTANTS(:,37) = strpad('q_init_Pi in component params_BG (fmol)'); LEGEND_CONSTANTS(:,40) = strpad('q_init_ATPi in component params_BG (fmol)'); LEGEND_CONSTANTS(:,43) = strpad('q_init_Hi in component params_BG (fmol)'); LEGEND_CONSTANTS(:,46) = strpad('q_init_Ho in component params_BG (fmol)'); LEGEND_CONSTANTS(:,49) = strpad('q_init_ADPi in component params_BG (fmol)'); LEGEND_CONSTANTS(:,10) = strpad('K_1 in component params_BG (per_fmol)'); LEGEND_CONSTANTS(:,11) = strpad('q_init_1 in component params_BG (fmol)'); LEGEND_CONSTANTS(:,12) = strpad('K_2 in component params_BG (per_fmol)'); LEGEND_CONSTANTS(:,13) = strpad('q_init_2 in component params_BG (fmol)'); LEGEND_CONSTANTS(:,14) = strpad('K_3 in component params_BG (per_fmol)'); LEGEND_CONSTANTS(:,15) = strpad('q_init_3 in component params_BG (fmol)'); LEGEND_CONSTANTS(:,16) = strpad('K_4 in component params_BG (per_fmol)'); LEGEND_CONSTANTS(:,17) = strpad('q_init_4 in component params_BG (fmol)'); LEGEND_CONSTANTS(:,18) = strpad('kappa_r1 in component params_BG (fmol_per_s)'); LEGEND_CONSTANTS(:,19) = strpad('kappa_r2 in component params_BG (fmol_per_s)'); LEGEND_CONSTANTS(:,20) = strpad('kappa_r3 in component params_BG (fmol_per_s)'); LEGEND_CONSTANTS(:,21) = strpad('kappa_r4 in component params_BG (fmol_per_s)'); LEGEND_CONSTANTS(:,36) = strpad('mu_Ki in component BG_HKE (J_per_mol)'); LEGEND_CONSTANTS(:,33) = strpad('mu_Ko in component BG_HKE (J_per_mol)'); LEGEND_CONSTANTS(:,39) = strpad('mu_Pi in component BG_HKE (J_per_mol)'); LEGEND_CONSTANTS(:,42) = strpad('mu_ATPi in component BG_HKE (J_per_mol)'); LEGEND_CONSTANTS(:,45) = strpad('mu_Hi in component BG_HKE (J_per_mol)'); LEGEND_CONSTANTS(:,48) = strpad('mu_Ho in component BG_HKE (J_per_mol)'); LEGEND_CONSTANTS(:,51) = strpad('mu_ADPi in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,1) = strpad('mu_1 in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,19) = strpad('v_1 in component BG_HKE (fmol_per_s)'); LEGEND_ALGEBRAIC(:,2) = strpad('mu_2 in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,11) = strpad('v_2 in component BG_HKE (fmol_per_s)'); LEGEND_ALGEBRAIC(:,3) = strpad('mu_3 in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,15) = strpad('v_3 in component BG_HKE (fmol_per_s)'); LEGEND_ALGEBRAIC(:,4) = strpad('mu_4 in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,20) = strpad('v_4 in component BG_HKE (fmol_per_s)'); LEGEND_ALGEBRAIC(:,5) = strpad('A_f_r1 in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,7) = strpad('v_r1 in component BG_HKE (fmol_per_s)'); LEGEND_ALGEBRAIC(:,6) = strpad('A_r_r1 in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,8) = strpad('A_f_r2 in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,10) = strpad('v_r2 in component BG_HKE (fmol_per_s)'); LEGEND_ALGEBRAIC(:,9) = strpad('A_r_r2 in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,12) = strpad('A_f_r3 in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,14) = strpad('v_r3 in component BG_HKE (fmol_per_s)'); LEGEND_ALGEBRAIC(:,13) = strpad('A_r_r3 in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,16) = strpad('A_f_r4 in component BG_HKE (J_per_mol)'); LEGEND_ALGEBRAIC(:,18) = strpad('v_r4 in component BG_HKE (fmol_per_s)'); LEGEND_ALGEBRAIC(:,17) = strpad('A_r_r4 in component BG_HKE (J_per_mol)'); LEGEND_CONSTANTS(:,35) = strpad('q_Ki in component BG_HKE (fmol)'); LEGEND_CONSTANTS(:,32) = strpad('q_Ko in component BG_HKE (fmol)'); LEGEND_CONSTANTS(:,41) = strpad('q_ATPi in component BG_HKE (fmol)'); LEGEND_CONSTANTS(:,38) = strpad('q_Pi in component BG_HKE (fmol)'); LEGEND_CONSTANTS(:,44) = strpad('q_Hi in component BG_HKE (fmol)'); LEGEND_CONSTANTS(:,47) = strpad('q_Ho in component BG_HKE (fmol)'); LEGEND_CONSTANTS(:,50) = strpad('q_ADPi in component BG_HKE (fmol)'); LEGEND_STATES(:,1) = strpad('q_1 in component BG_HKE (fmol)'); LEGEND_STATES(:,2) = strpad('q_2 in component BG_HKE (fmol)'); LEGEND_STATES(:,3) = strpad('q_3 in component BG_HKE (fmol)'); LEGEND_STATES(:,4) = strpad('q_4 in component BG_HKE (fmol)'); LEGEND_CONSTANTS(:,22) = strpad('V_i in component params_BG (pL)'); LEGEND_CONSTANTS(:,23) = strpad('K_i in component params_BG (mM)'); LEGEND_CONSTANTS(:,24) = strpad('K_o in component params_BG (mM)'); LEGEND_CONSTANTS(:,25) = strpad('ATPi in component params_BG (mM)'); LEGEND_CONSTANTS(:,26) = strpad('Hi in component params_BG (mM)'); LEGEND_CONSTANTS(:,27) = strpad('Ho in component params_BG (mM)'); LEGEND_CONSTANTS(:,28) = strpad('ADPi in component params_BG (mM)'); LEGEND_CONSTANTS(:,29) = strpad('Pi in component params_BG (mM)'); LEGEND_CONSTANTS(:,30) = strpad('V_o in component params_BG (pL)'); LEGEND_RATES(:,1) = strpad('d/dt q_1 in component BG_HKE (fmol)'); LEGEND_RATES(:,2) = strpad('d/dt q_2 in component BG_HKE (fmol)'); LEGEND_RATES(:,3) = strpad('d/dt q_3 in component BG_HKE (fmol)'); LEGEND_RATES(:,4) = strpad('d/dt q_4 in component BG_HKE (fmol)'); 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 = []; CONSTANTS(:,1) = 8.31; CONSTANTS(:,2) = 273.15; CONSTANTS(:,3) = 149.65; CONSTANTS(:,4) = 149.65; CONSTANTS(:,5) = 149.65; CONSTANTS(:,6) = 149.65; CONSTANTS(:,7) = 149.65; CONSTANTS(:,8) = 149.65; CONSTANTS(:,9) = 149.65; CONSTANTS(:,10) = 33.20; CONSTANTS(:,11) = 0.0017; CONSTANTS(:,12) = 4.25e+03; CONSTANTS(:,13) = 0.0017; CONSTANTS(:,14) = 344.59; CONSTANTS(:,15) = 0.0017; CONSTANTS(:,16) = 1.99; CONSTANTS(:,17) = 0.0017; CONSTANTS(:,18) = 0.36; CONSTANTS(:,19) = 0.26; CONSTANTS(:,20) = 1.01e+05; CONSTANTS(:,21) = 1.01e+04; CONSTANTS(:,22) = 0.09; CONSTANTS(:,23) = 10; CONSTANTS(:,24) = 1e-5; CONSTANTS(:,25) = 1e-5; CONSTANTS(:,26) = 1e-5; CONSTANTS(:,27) = 1e-5; CONSTANTS(:,28) = 1e-5; CONSTANTS(:,29) = 1e-5; CONSTANTS(:,30) = 0.09; CONSTANTS(:,31) = CONSTANTS(:,24).*CONSTANTS(:,30); CONSTANTS(:,32) = CONSTANTS(:,31); CONSTANTS(:,33) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,4).*CONSTANTS(:,32)); CONSTANTS(:,34) = CONSTANTS(:,23).*CONSTANTS(:,22); CONSTANTS(:,35) = CONSTANTS(:,34); CONSTANTS(:,36) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,3).*CONSTANTS(:,35)); CONSTANTS(:,37) = CONSTANTS(:,29).*CONSTANTS(:,22); CONSTANTS(:,38) = CONSTANTS(:,37); CONSTANTS(:,39) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,5).*CONSTANTS(:,38)); CONSTANTS(:,40) = CONSTANTS(:,25).*CONSTANTS(:,22); CONSTANTS(:,41) = CONSTANTS(:,40); CONSTANTS(:,42) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,6).*CONSTANTS(:,41)); CONSTANTS(:,43) = CONSTANTS(:,26).*CONSTANTS(:,22); CONSTANTS(:,44) = CONSTANTS(:,43); CONSTANTS(:,45) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,7).*CONSTANTS(:,44)); CONSTANTS(:,46) = CONSTANTS(:,27).*CONSTANTS(:,22); CONSTANTS(:,47) = CONSTANTS(:,46); CONSTANTS(:,48) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,8).*CONSTANTS(:,47)); CONSTANTS(:,49) = CONSTANTS(:,28).*CONSTANTS(:,22); CONSTANTS(:,50) = CONSTANTS(:,49); CONSTANTS(:,51) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,9).*CONSTANTS(:,50)); STATES(:,1) = CONSTANTS(:,11); STATES(:,2) = CONSTANTS(:,13); STATES(:,3) = CONSTANTS(:,15); STATES(:,4) = 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) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,10).*STATES(:,1)); ALGEBRAIC(:,5) = ALGEBRAIC(:,1)+CONSTANTS(:,33); ALGEBRAIC(:,2) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,12).*STATES(:,2)); ALGEBRAIC(:,6) = ALGEBRAIC(:,2)+CONSTANTS(:,39); ALGEBRAIC(:,7) = CONSTANTS(:,18).*(exp(ALGEBRAIC(:,5)./( CONSTANTS(:,1).*CONSTANTS(:,2))) - exp(ALGEBRAIC(:,6)./( CONSTANTS(:,1).*CONSTANTS(:,2)))); ALGEBRAIC(:,8) = ALGEBRAIC(:,2)+CONSTANTS(:,42); ALGEBRAIC(:,3) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,14).*STATES(:,3)); ALGEBRAIC(:,9) = ALGEBRAIC(:,3)+CONSTANTS(:,36); ALGEBRAIC(:,10) = CONSTANTS(:,19).*(exp(ALGEBRAIC(:,8)./( CONSTANTS(:,1).*CONSTANTS(:,2))) - exp(ALGEBRAIC(:,9)./( CONSTANTS(:,1).*CONSTANTS(:,2)))); ALGEBRAIC(:,11) = ALGEBRAIC(:,7) - ALGEBRAIC(:,10); RATES(:,2) = ALGEBRAIC(:,11); ALGEBRAIC(:,12) = ALGEBRAIC(:,3)+CONSTANTS(:,45); ALGEBRAIC(:,4) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,16).*STATES(:,4)); ALGEBRAIC(:,13) = ALGEBRAIC(:,4)+CONSTANTS(:,51); ALGEBRAIC(:,14) = CONSTANTS(:,20).*(exp(ALGEBRAIC(:,12)./( CONSTANTS(:,1).*CONSTANTS(:,2))) - exp(ALGEBRAIC(:,13)./( CONSTANTS(:,1).*CONSTANTS(:,2)))); ALGEBRAIC(:,15) = ALGEBRAIC(:,10) - ALGEBRAIC(:,14); RATES(:,3) = ALGEBRAIC(:,15); ALGEBRAIC(:,16) = ALGEBRAIC(:,4); ALGEBRAIC(:,17) = ALGEBRAIC(:,1)+CONSTANTS(:,48); ALGEBRAIC(:,18) = CONSTANTS(:,21).*(exp(ALGEBRAIC(:,16)./( CONSTANTS(:,1).*CONSTANTS(:,2))) - exp(ALGEBRAIC(:,17)./( CONSTANTS(:,1).*CONSTANTS(:,2)))); ALGEBRAIC(:,19) = ALGEBRAIC(:,18) - ALGEBRAIC(:,7); RATES(:,1) = ALGEBRAIC(:,19); ALGEBRAIC(:,20) = ALGEBRAIC(:,14) - ALGEBRAIC(:,18); RATES(:,4) = ALGEBRAIC(:,20); 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) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,10).*STATES(:,1)); ALGEBRAIC(:,5) = ALGEBRAIC(:,1)+CONSTANTS(:,33); ALGEBRAIC(:,2) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,12).*STATES(:,2)); ALGEBRAIC(:,6) = ALGEBRAIC(:,2)+CONSTANTS(:,39); ALGEBRAIC(:,7) = CONSTANTS(:,18).*(exp(ALGEBRAIC(:,5)./( CONSTANTS(:,1).*CONSTANTS(:,2))) - exp(ALGEBRAIC(:,6)./( CONSTANTS(:,1).*CONSTANTS(:,2)))); ALGEBRAIC(:,8) = ALGEBRAIC(:,2)+CONSTANTS(:,42); ALGEBRAIC(:,3) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,14).*STATES(:,3)); ALGEBRAIC(:,9) = ALGEBRAIC(:,3)+CONSTANTS(:,36); ALGEBRAIC(:,10) = CONSTANTS(:,19).*(exp(ALGEBRAIC(:,8)./( CONSTANTS(:,1).*CONSTANTS(:,2))) - exp(ALGEBRAIC(:,9)./( CONSTANTS(:,1).*CONSTANTS(:,2)))); ALGEBRAIC(:,11) = ALGEBRAIC(:,7) - ALGEBRAIC(:,10); ALGEBRAIC(:,12) = ALGEBRAIC(:,3)+CONSTANTS(:,45); ALGEBRAIC(:,4) = CONSTANTS(:,1).*CONSTANTS(:,2).*log( CONSTANTS(:,16).*STATES(:,4)); ALGEBRAIC(:,13) = ALGEBRAIC(:,4)+CONSTANTS(:,51); ALGEBRAIC(:,14) = CONSTANTS(:,20).*(exp(ALGEBRAIC(:,12)./( CONSTANTS(:,1).*CONSTANTS(:,2))) - exp(ALGEBRAIC(:,13)./( CONSTANTS(:,1).*CONSTANTS(:,2)))); ALGEBRAIC(:,15) = ALGEBRAIC(:,10) - ALGEBRAIC(:,14); ALGEBRAIC(:,16) = ALGEBRAIC(:,4); ALGEBRAIC(:,17) = ALGEBRAIC(:,1)+CONSTANTS(:,48); ALGEBRAIC(:,18) = CONSTANTS(:,21).*(exp(ALGEBRAIC(:,16)./( CONSTANTS(:,1).*CONSTANTS(:,2))) - exp(ALGEBRAIC(:,17)./( CONSTANTS(:,1).*CONSTANTS(:,2)))); ALGEBRAIC(:,19) = ALGEBRAIC(:,18) - ALGEBRAIC(:,7); ALGEBRAIC(:,20) = ALGEBRAIC(:,14) - ALGEBRAIC(:,18); 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