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 =16; end % There are a total of 6 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_CONSTANTS(:,1) = strpad('q_PKACI_init in component environment (fmol)'); LEGEND_CONSTANTS(:,2) = strpad('q_Ip_init in component environment (fmol)'); LEGEND_CONSTANTS(:,3) = strpad('q_Ip_PKACI_init in component environment (fmol)'); LEGEND_CONSTANTS(:,4) = strpad('q_PP2a_init in component environment (fmol)'); LEGEND_CONSTANTS(:,5) = strpad('q_Ip_PP2a_init in component environment (fmol)'); LEGEND_CONSTANTS(:,6) = strpad('q_I_init in component environment (fmol)'); LEGEND_ALGEBRAIC(:,1) = strpad('q_PKACI in component environment (fmol)'); LEGEND_ALGEBRAIC(:,2) = strpad('q_Ip in component environment (fmol)'); LEGEND_ALGEBRAIC(:,3) = strpad('q_Ip_PKACI in component environment (fmol)'); LEGEND_ALGEBRAIC(:,4) = strpad('q_PP2a in component environment (fmol)'); LEGEND_ALGEBRAIC(:,5) = strpad('q_Ip_PP2a in component environment (fmol)'); LEGEND_ALGEBRAIC(:,6) = strpad('q_I in component environment (fmol)'); LEGEND_STATES(:,1) = strpad('q_PKACI in component Inhib1 (fmol)'); LEGEND_STATES(:,2) = strpad('q_Ip in component Inhib1 (fmol)'); LEGEND_STATES(:,3) = strpad('q_Ip_PKACI in component Inhib1 (fmol)'); LEGEND_STATES(:,4) = strpad('q_PP2a in component Inhib1 (fmol)'); LEGEND_STATES(:,5) = strpad('q_Ip_PP2a in component Inhib1 (fmol)'); LEGEND_STATES(:,6) = strpad('q_I in component Inhib1 (fmol)'); LEGEND_CONSTANTS(:,7) = strpad('kappa_PKAi1 in component Inhib1_parameters (fmol_per_sec)'); LEGEND_CONSTANTS(:,8) = strpad('kappa_PKAi2 in component Inhib1_parameters (fmol_per_sec)'); LEGEND_CONSTANTS(:,9) = strpad('kappa_PP2ai1 in component Inhib1_parameters (fmol_per_sec)'); LEGEND_CONSTANTS(:,10) = strpad('kappa_PP2ai2 in component Inhib1_parameters (fmol_per_sec)'); LEGEND_CONSTANTS(:,11) = strpad('K_PKACI in component Inhib1_parameters (per_fmol)'); LEGEND_CONSTANTS(:,12) = strpad('K_Ip in component Inhib1_parameters (per_fmol)'); LEGEND_CONSTANTS(:,13) = strpad('K_Ip_PKACI in component Inhib1_parameters (per_fmol)'); LEGEND_CONSTANTS(:,14) = strpad('K_PP2a in component Inhib1_parameters (per_fmol)'); LEGEND_CONSTANTS(:,15) = strpad('K_Ip_PP2a in component Inhib1_parameters (per_fmol)'); LEGEND_CONSTANTS(:,16) = strpad('K_I in component Inhib1_parameters (per_fmol)'); LEGEND_CONSTANTS(:,17) = strpad('R in component constants (J_per_K_per_mol)'); LEGEND_CONSTANTS(:,18) = strpad('T in component constants (kelvin)'); LEGEND_ALGEBRAIC(:,13) = strpad('vPKAi1 in component Inhib1 (fmol_per_sec)'); LEGEND_ALGEBRAIC(:,14) = strpad('vPKAi2 in component Inhib1 (fmol_per_sec)'); LEGEND_ALGEBRAIC(:,15) = strpad('vPP2ai1 in component Inhib1 (fmol_per_sec)'); LEGEND_ALGEBRAIC(:,16) = strpad('vPP2ai2 in component Inhib1 (fmol_per_sec)'); LEGEND_ALGEBRAIC(:,7) = strpad('mu_PKACI in component Inhib1 (J_per_mol)'); LEGEND_ALGEBRAIC(:,8) = strpad('mu_Ip in component Inhib1 (J_per_mol)'); LEGEND_ALGEBRAIC(:,9) = strpad('mu_Ip_PKACI in component Inhib1 (J_per_mol)'); LEGEND_ALGEBRAIC(:,10) = strpad('mu_PP2a in component Inhib1 (J_per_mol)'); LEGEND_ALGEBRAIC(:,11) = strpad('mu_Ip_PP2a in component Inhib1 (J_per_mol)'); LEGEND_ALGEBRAIC(:,12) = strpad('mu_I in component Inhib1 (J_per_mol)'); LEGEND_CONSTANTS(:,19) = strpad('F in component constants (C_per_mol)'); LEGEND_RATES(:,1) = strpad('d/dt q_PKACI in component Inhib1 (fmol)'); LEGEND_RATES(:,2) = strpad('d/dt q_Ip in component Inhib1 (fmol)'); LEGEND_RATES(:,3) = strpad('d/dt q_Ip_PKACI in component Inhib1 (fmol)'); LEGEND_RATES(:,4) = strpad('d/dt q_PP2a in component Inhib1 (fmol)'); LEGEND_RATES(:,5) = strpad('d/dt q_Ip_PP2a in component Inhib1 (fmol)'); LEGEND_RATES(:,6) = strpad('d/dt q_I in component Inhib1 (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) = 1.117E-03; CONSTANTS(:,2) = 9.994E-04; CONSTANTS(:,3) = 1e-13; CONSTANTS(:,4) = 8.512E-03; CONSTANTS(:,5) = 1e-13; CONSTANTS(:,6) = 1.140E-02; STATES(:,1) = 1e-16; STATES(:,2) = 1e-16; STATES(:,3) = 1e-16; STATES(:,4) = 1e-16; STATES(:,5) = 1e-16; STATES(:,6) = 1e-16; CONSTANTS(:,7) = 20.9606; CONSTANTS(:,8) = 22.2706; CONSTANTS(:,9) = 5.39341; CONSTANTS(:,10) = 5.30013; CONSTANTS(:,11) = 0.284433; CONSTANTS(:,12) = 0.133405; CONSTANTS(:,13) = 1.38688; CONSTANTS(:,14) = 0.0704691; CONSTANTS(:,15) = 0.342795; CONSTANTS(:,16) = 0.150247; CONSTANTS(:,17) = 8.31; CONSTANTS(:,18) = 310; CONSTANTS(:,19) = 96485; 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) = STATES(:,1)+CONSTANTS(:,1); ALGEBRAIC(:,7) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,11).*ALGEBRAIC(:,1)); ALGEBRAIC(:,3) = STATES(:,3)+CONSTANTS(:,3); ALGEBRAIC(:,9) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,13).*ALGEBRAIC(:,3)); ALGEBRAIC(:,6) = STATES(:,6)+CONSTANTS(:,6); ALGEBRAIC(:,12) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,16).*ALGEBRAIC(:,6)); ALGEBRAIC(:,13) = CONSTANTS(:,7).*(exp((ALGEBRAIC(:,7)+ALGEBRAIC(:,12))./( CONSTANTS(:,17).*CONSTANTS(:,18))) - exp(ALGEBRAIC(:,9)./( CONSTANTS(:,17).*CONSTANTS(:,18)))); ALGEBRAIC(:,2) = STATES(:,2)+CONSTANTS(:,2); ALGEBRAIC(:,8) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,12).*ALGEBRAIC(:,2)); ALGEBRAIC(:,14) = CONSTANTS(:,8).*(exp(ALGEBRAIC(:,9)./( CONSTANTS(:,17).*CONSTANTS(:,18))) - exp((ALGEBRAIC(:,7)+ALGEBRAIC(:,8))./( CONSTANTS(:,17).*CONSTANTS(:,18)))); RATES(:,1) = ALGEBRAIC(:,14) - ALGEBRAIC(:,13); RATES(:,3) = ALGEBRAIC(:,13) - ALGEBRAIC(:,14); ALGEBRAIC(:,4) = STATES(:,4)+CONSTANTS(:,4); ALGEBRAIC(:,10) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,14).*ALGEBRAIC(:,4)); ALGEBRAIC(:,5) = STATES(:,5)+CONSTANTS(:,5); ALGEBRAIC(:,11) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,15).*ALGEBRAIC(:,5)); ALGEBRAIC(:,15) = CONSTANTS(:,9).*(exp((ALGEBRAIC(:,10)+ALGEBRAIC(:,8))./( CONSTANTS(:,17).*CONSTANTS(:,18))) - exp(ALGEBRAIC(:,11)./( CONSTANTS(:,17).*CONSTANTS(:,18)))); RATES(:,2) = ALGEBRAIC(:,14) - ALGEBRAIC(:,15); ALGEBRAIC(:,16) = CONSTANTS(:,10).*(exp(ALGEBRAIC(:,11)./( CONSTANTS(:,17).*CONSTANTS(:,18))) - exp((ALGEBRAIC(:,10)+ALGEBRAIC(:,12))./( CONSTANTS(:,17).*CONSTANTS(:,18)))); RATES(:,4) = ALGEBRAIC(:,16) - ALGEBRAIC(:,15); RATES(:,5) = ALGEBRAIC(:,15) - ALGEBRAIC(:,16); RATES(:,6) = ALGEBRAIC(:,16) - ALGEBRAIC(:,13); 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) = STATES(:,1)+CONSTANTS(:,1); ALGEBRAIC(:,7) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,11).*ALGEBRAIC(:,1)); ALGEBRAIC(:,3) = STATES(:,3)+CONSTANTS(:,3); ALGEBRAIC(:,9) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,13).*ALGEBRAIC(:,3)); ALGEBRAIC(:,6) = STATES(:,6)+CONSTANTS(:,6); ALGEBRAIC(:,12) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,16).*ALGEBRAIC(:,6)); ALGEBRAIC(:,13) = CONSTANTS(:,7).*(exp((ALGEBRAIC(:,7)+ALGEBRAIC(:,12))./( CONSTANTS(:,17).*CONSTANTS(:,18))) - exp(ALGEBRAIC(:,9)./( CONSTANTS(:,17).*CONSTANTS(:,18)))); ALGEBRAIC(:,2) = STATES(:,2)+CONSTANTS(:,2); ALGEBRAIC(:,8) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,12).*ALGEBRAIC(:,2)); ALGEBRAIC(:,14) = CONSTANTS(:,8).*(exp(ALGEBRAIC(:,9)./( CONSTANTS(:,17).*CONSTANTS(:,18))) - exp((ALGEBRAIC(:,7)+ALGEBRAIC(:,8))./( CONSTANTS(:,17).*CONSTANTS(:,18)))); ALGEBRAIC(:,4) = STATES(:,4)+CONSTANTS(:,4); ALGEBRAIC(:,10) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,14).*ALGEBRAIC(:,4)); ALGEBRAIC(:,5) = STATES(:,5)+CONSTANTS(:,5); ALGEBRAIC(:,11) = CONSTANTS(:,17).*CONSTANTS(:,18).*log( CONSTANTS(:,15).*ALGEBRAIC(:,5)); ALGEBRAIC(:,15) = CONSTANTS(:,9).*(exp((ALGEBRAIC(:,10)+ALGEBRAIC(:,8))./( CONSTANTS(:,17).*CONSTANTS(:,18))) - exp(ALGEBRAIC(:,11)./( CONSTANTS(:,17).*CONSTANTS(:,18)))); ALGEBRAIC(:,16) = CONSTANTS(:,10).*(exp(ALGEBRAIC(:,11)./( CONSTANTS(:,17).*CONSTANTS(:,18))) - exp((ALGEBRAIC(:,10)+ALGEBRAIC(:,12))./( CONSTANTS(:,17).*CONSTANTS(:,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