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 =2; end % There are a total of 15 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 (second)'); LEGEND_STATES(:,1) = strpad('Arg in component Arg (micromolar)'); LEGEND_ALGEBRAIC(:,1) = strpad('S in component Arg (flux)'); LEGEND_STATES(:,2) = strpad('Fe3 in component Fe3 (micromolar)'); LEGEND_STATES(:,3) = strpad('Fe3_Arg in component Fe3_Arg (micromolar)'); LEGEND_STATES(:,4) = strpad('Fe2_Arg in component Fe2_Arg (micromolar)'); LEGEND_STATES(:,5) = strpad('Fe2 in component Fe2 (micromolar)'); LEGEND_CONSTANTS(:,1) = strpad('k1 in component model_constants (second_order_rate_constant)'); LEGEND_CONSTANTS(:,2) = strpad('k_1 in component model_constants (first_order_rate_constant)'); LEGEND_CONSTANTS(:,3) = strpad('k4 in component model_constants (second_order_rate_constant)'); LEGEND_CONSTANTS(:,4) = strpad('k_4 in component model_constants (first_order_rate_constant)'); LEGEND_STATES(:,6) = strpad('Fe3_NO in component Fe3_NO (micromolar)'); LEGEND_STATES(:,7) = strpad('Fe2_NO in component Fe2_NO (micromolar)'); LEGEND_CONSTANTS(:,5) = strpad('O2 in component model_constants (micromolar)'); LEGEND_STATES(:,8) = strpad('Fe3_NOHA in component Fe3_NOHA (micromolar)'); LEGEND_STATES(:,9) = strpad('NOHA in component NOHA (micromolar)'); LEGEND_CONSTANTS(:,6) = strpad('k2 in component model_constants (first_order_rate_constant)'); LEGEND_CONSTANTS(:,7) = strpad('k13 in component model_constants (second_order_rate_constant)'); LEGEND_CONSTANTS(:,8) = strpad('k14 in component model_constants (first_order_rate_constant)'); LEGEND_CONSTANTS(:,9) = strpad('k8 in component model_constants (first_order_rate_constant)'); LEGEND_CONSTANTS(:,10) = strpad('k_8 in component model_constants (second_order_rate_constant)'); LEGEND_CONSTANTS(:,11) = strpad('k3 in component model_constants (first_order_rate_constant)'); LEGEND_STATES(:,10) = strpad('Fe2_NOHA in component Fe2_NOHA (micromolar)'); LEGEND_CONSTANTS(:,12) = strpad('k9 in component model_constants (first_order_rate_constant)'); LEGEND_CONSTANTS(:,13) = strpad('k_9 in component model_constants (second_order_rate_constant)'); LEGEND_STATES(:,11) = strpad('Fe3_O2_Arg in component Fe3_O2_Arg (micromolar)'); LEGEND_CONSTANTS(:,14) = strpad('k5 in component model_constants (second_order_rate_constant)'); LEGEND_CONSTANTS(:,15) = strpad('k_5 in component model_constants (first_order_rate_constant)'); LEGEND_CONSTANTS(:,16) = strpad('k6 in component model_constants (first_order_rate_constant)'); LEGEND_CONSTANTS(:,17) = strpad('k7 in component model_constants (first_order_rate_constant)'); LEGEND_STATES(:,12) = strpad('Fe3_O2_NOHA in component Fe3_O2_NOHA (micromolar)'); LEGEND_CONSTANTS(:,18) = strpad('k_10 in component model_constants (first_order_rate_constant)'); LEGEND_CONSTANTS(:,19) = strpad('k10 in component model_constants (second_order_rate_constant)'); LEGEND_CONSTANTS(:,20) = strpad('k11 in component model_constants (first_order_rate_constant)'); LEGEND_CONSTANTS(:,21) = strpad('k12 in component model_constants (first_order_rate_constant)'); LEGEND_STATES(:,13) = strpad('NO in component NO (micromolar)'); LEGEND_ALGEBRAIC(:,2) = strpad('dNOdt in component NO (flux)'); LEGEND_STATES(:,14) = strpad('citrulline in component citrulline (micromolar)'); LEGEND_STATES(:,15) = strpad('NO3 in component NO3 (micromolar)'); LEGEND_RATES(:,1) = strpad('d/dt Arg in component Arg (micromolar)'); LEGEND_RATES(:,2) = strpad('d/dt Fe3 in component Fe3 (micromolar)'); LEGEND_RATES(:,3) = strpad('d/dt Fe3_Arg in component Fe3_Arg (micromolar)'); LEGEND_RATES(:,5) = strpad('d/dt Fe2 in component Fe2 (micromolar)'); LEGEND_RATES(:,4) = strpad('d/dt Fe2_Arg in component Fe2_Arg (micromolar)'); LEGEND_RATES(:,11) = strpad('d/dt Fe3_O2_Arg in component Fe3_O2_Arg (micromolar)'); LEGEND_RATES(:,8) = strpad('d/dt Fe3_NOHA in component Fe3_NOHA (micromolar)'); LEGEND_RATES(:,10) = strpad('d/dt Fe2_NOHA in component Fe2_NOHA (micromolar)'); LEGEND_RATES(:,12) = strpad('d/dt Fe3_O2_NOHA in component Fe3_O2_NOHA (micromolar)'); LEGEND_RATES(:,6) = strpad('d/dt Fe3_NO in component Fe3_NO (micromolar)'); LEGEND_RATES(:,7) = strpad('d/dt Fe2_NO in component Fe2_NO (micromolar)'); LEGEND_RATES(:,13) = strpad('d/dt NO in component NO (micromolar)'); LEGEND_RATES(:,14) = strpad('d/dt citrulline in component citrulline (micromolar)'); LEGEND_RATES(:,15) = strpad('d/dt NO3 in component NO3 (micromolar)'); LEGEND_RATES(:,9) = strpad('d/dt NOHA in component NOHA (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) = 100.0; STATES(:,2) = 0.045; STATES(:,3) = 0.0; STATES(:,4) = 0.0; STATES(:,5) = 0.0; CONSTANTS(:,1) = 0.1; CONSTANTS(:,2) = 0.1; CONSTANTS(:,3) = 1.89; CONSTANTS(:,4) = 11.4; STATES(:,6) = 0.0; STATES(:,7) = 0.0; CONSTANTS(:,5) = 172.0; STATES(:,8) = 0.0; STATES(:,9) = 0.0; CONSTANTS(:,6) = 0.91; CONSTANTS(:,7) = 0.033; CONSTANTS(:,8) = 53.9; CONSTANTS(:,9) = 0.1; CONSTANTS(:,10) = 0.1; CONSTANTS(:,11) = 0.91; STATES(:,10) = 0.0; CONSTANTS(:,12) = 11.4; CONSTANTS(:,13) = 1.89; STATES(:,11) = 0.0; CONSTANTS(:,14) = 2.58; CONSTANTS(:,15) = 98.0; CONSTANTS(:,16) = 12.6; CONSTANTS(:,17) = 0.91; STATES(:,12) = 0.0; CONSTANTS(:,18) = 89.9; CONSTANTS(:,19) = 3.33; CONSTANTS(:,20) = 29.4; CONSTANTS(:,21) = 0.91; STATES(:,13) = 0.0; STATES(:,14) = 0.0; STATES(:,15) = 0.0; 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(:,2) = ( CONSTANTS(:,2).*STATES(:,3)+ CONSTANTS(:,8).*STATES(:,6)+ CONSTANTS(:,7).*STATES(:,7).*CONSTANTS(:,5)+ CONSTANTS(:,9).*STATES(:,8)) - ( CONSTANTS(:,1).*STATES(:,1).*STATES(:,2)+ CONSTANTS(:,6).*STATES(:,2)+ CONSTANTS(:,10).*STATES(:,9).*STATES(:,2)); RATES(:,3) = CONSTANTS(:,1).*STATES(:,2).*STATES(:,1) - ( CONSTANTS(:,2).*STATES(:,3)+ CONSTANTS(:,11).*STATES(:,3)); RATES(:,5) = ( CONSTANTS(:,6).*STATES(:,2)+ CONSTANTS(:,4).*STATES(:,4)+ CONSTANTS(:,12).*STATES(:,10)) - ( CONSTANTS(:,3).*STATES(:,5).*STATES(:,1)+ CONSTANTS(:,13).*STATES(:,5).*STATES(:,9)); RATES(:,4) = ( CONSTANTS(:,11).*STATES(:,3)+ CONSTANTS(:,15).*STATES(:,11)+ CONSTANTS(:,3).*STATES(:,5).*STATES(:,1)) - ( CONSTANTS(:,14).*STATES(:,4).*CONSTANTS(:,5)+ CONSTANTS(:,4).*STATES(:,4)); RATES(:,11) = CONSTANTS(:,14).*STATES(:,4).*CONSTANTS(:,5) - ( CONSTANTS(:,16).*STATES(:,11)+ CONSTANTS(:,15).*STATES(:,11)); RATES(:,8) = ( CONSTANTS(:,16).*STATES(:,11)+ CONSTANTS(:,10).*STATES(:,2).*STATES(:,9)) - ( CONSTANTS(:,17).*STATES(:,8)+ CONSTANTS(:,9).*STATES(:,8)); RATES(:,10) = ( CONSTANTS(:,17).*STATES(:,8)+ CONSTANTS(:,18).*STATES(:,12)+ CONSTANTS(:,13).*STATES(:,5).*STATES(:,9)) - ( CONSTANTS(:,12).*STATES(:,10)+ CONSTANTS(:,19).*STATES(:,10).*CONSTANTS(:,5)); RATES(:,12) = CONSTANTS(:,19).*STATES(:,10).*CONSTANTS(:,5) - ( CONSTANTS(:,20).*STATES(:,12)+ CONSTANTS(:,18).*STATES(:,12)); RATES(:,6) = CONSTANTS(:,20).*STATES(:,12) - ( CONSTANTS(:,8).*STATES(:,6)+ CONSTANTS(:,21).*STATES(:,6)); RATES(:,7) = CONSTANTS(:,21).*STATES(:,6) - CONSTANTS(:,7).*STATES(:,7).*CONSTANTS(:,5); RATES(:,13) = CONSTANTS(:,8).*STATES(:,6); RATES(:,14) = CONSTANTS(:,20).*STATES(:,12); RATES(:,15) = CONSTANTS(:,7).*STATES(:,7).*CONSTANTS(:,5); RATES(:,9) = ( CONSTANTS(:,9).*STATES(:,8)+ CONSTANTS(:,12).*STATES(:,10)) - ( CONSTANTS(:,10).*STATES(:,2).*STATES(:,9)+ CONSTANTS(:,13).*STATES(:,5).*STATES(:,9)); ALGEBRAIC(:,1) = ( CONSTANTS(:,1).*STATES(:,1).*STATES(:,2)+ CONSTANTS(:,3).*STATES(:,1).*STATES(:,5)) - ( CONSTANTS(:,2).*STATES(:,3)+ CONSTANTS(:,4).*STATES(:,4)); RATES(:,1) = ( CONSTANTS(:,2).*STATES(:,3)+ CONSTANTS(:,4).*STATES(:,4)+ALGEBRAIC(:,1)) - ( CONSTANTS(:,1).*STATES(:,1).*STATES(:,2)+ CONSTANTS(:,3).*STATES(:,1).*STATES(:,5)); 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).*STATES(:,1).*STATES(:,2)+ CONSTANTS(:,3).*STATES(:,1).*STATES(:,5)) - ( CONSTANTS(:,2).*STATES(:,3)+ CONSTANTS(:,4).*STATES(:,4)); ALGEBRAIC(:,2) = CONSTANTS(:,8).*STATES(:,6); 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