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 =1; end % There are a total of 9 entries in each of the rate and state variable arrays. % There are a total of 10 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('x1 in component x1 (nanomolar)'); LEGEND_STATES(:,2) = strpad('x2 in component x2 (nanomolar)'); LEGEND_STATES(:,3) = strpad('x3 in component x3 (nanomolar)'); LEGEND_STATES(:,4) = strpad('x4 in component x4 (nanomolar)'); LEGEND_STATES(:,5) = strpad('x5 in component x5 (nanomolar)'); LEGEND_STATES(:,6) = strpad('x6 in component x6 (nanomolar)'); LEGEND_STATES(:,7) = strpad('x7 in component x7 (nanomolar)'); LEGEND_STATES(:,8) = strpad('x8 in component x8 (nanomolar)'); LEGEND_STATES(:,9) = strpad('x9 in component x9 (nanomolar)'); LEGEND_CONSTANTS(:,1) = strpad('k1 in component rate_variables (second_order_rate_constant)'); LEGEND_CONSTANTS(:,2) = strpad('k1_ in component rate_variables (first_order_rate_constant)'); LEGEND_CONSTANTS(:,3) = strpad('k2 in component rate_variables (second_order_rate_constant)'); LEGEND_CONSTANTS(:,4) = strpad('k2_ in component rate_variables (first_order_rate_constant)'); LEGEND_CONSTANTS(:,5) = strpad('k4 in component rate_variables (second_order_rate_constant)'); LEGEND_CONSTANTS(:,6) = strpad('k4_ in component rate_variables (first_order_rate_constant)'); LEGEND_CONSTANTS(:,7) = strpad('k5 in component rate_variables (second_order_rate_constant)'); LEGEND_CONSTANTS(:,8) = strpad('k5_ in component rate_variables (first_order_rate_constant)'); LEGEND_ALGEBRAIC(:,1) = strpad('scatchard in component x1 (dimensionless)'); LEGEND_CONSTANTS(:,9) = strpad('k3 in component rate_variables (second_order_rate_constant)'); LEGEND_CONSTANTS(:,10) = strpad('k3_ in component rate_variables (first_order_rate_constant)'); LEGEND_RATES(:,1) = strpad('d/dt x1 in component x1 (nanomolar)'); LEGEND_RATES(:,2) = strpad('d/dt x2 in component x2 (nanomolar)'); LEGEND_RATES(:,3) = strpad('d/dt x3 in component x3 (nanomolar)'); LEGEND_RATES(:,4) = strpad('d/dt x4 in component x4 (nanomolar)'); LEGEND_RATES(:,5) = strpad('d/dt x5 in component x5 (nanomolar)'); LEGEND_RATES(:,6) = strpad('d/dt x6 in component x6 (nanomolar)'); LEGEND_RATES(:,7) = strpad('d/dt x7 in component x7 (nanomolar)'); LEGEND_RATES(:,8) = strpad('d/dt x8 in component x8 (nanomolar)'); LEGEND_RATES(:,9) = strpad('d/dt x9 in component x9 (nanomolar)'); 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) = 10; STATES(:,2) = 0.1; STATES(:,3) = 1.0; STATES(:,4) = 1.0; STATES(:,5) = 1.0; STATES(:,6) = 1.0; STATES(:,7) = 1.0; STATES(:,8) = 1.0; STATES(:,9) = 1.0; CONSTANTS(:,1) = 1000000; CONSTANTS(:,2) = 0.0004; CONSTANTS(:,3) = 1000000; CONSTANTS(:,4) = 0.04; CONSTANTS(:,5) = 1000000; CONSTANTS(:,6) = 0.0004; CONSTANTS(:,7) = 10000000; CONSTANTS(:,8) = 0.004; CONSTANTS(:,9) = 1000000; CONSTANTS(:,10) = 0.0004; 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(:,1) = (((((( CONSTANTS(:,2).*STATES(:,3) - CONSTANTS(:,1).*STATES(:,1).*STATES(:,2))+ CONSTANTS(:,4).*STATES(:,4)) - CONSTANTS(:,3).*STATES(:,1).*STATES(:,3))+ CONSTANTS(:,6).*(STATES(:,6)+STATES(:,7))) - CONSTANTS(:,5).*STATES(:,1).*(STATES(:,5)+STATES(:,9)))+ CONSTANTS(:,8).*(STATES(:,7)+STATES(:,8)+STATES(:,9))) - CONSTANTS(:,7).*STATES(:,1).*(STATES(:,5)+STATES(:,6)+STATES(:,7)); RATES(:,2) = (( CONSTANTS(:,2).*STATES(:,3) - CONSTANTS(:,1).*STATES(:,1).*STATES(:,2))+ CONSTANTS(:,10).*(STATES(:,5)+STATES(:,9))) - CONSTANTS(:,9).*STATES(:,2).*(STATES(:,3)+STATES(:,4)); RATES(:,3) = ((((( CONSTANTS(:,1).*STATES(:,1).*STATES(:,2) - CONSTANTS(:,2).*STATES(:,3))+ CONSTANTS(:,4).*STATES(:,4)) - CONSTANTS(:,3).*STATES(:,1).*STATES(:,3))+ CONSTANTS(:,10).*STATES(:,5)) - CONSTANTS(:,9).*STATES(:,2).*STATES(:,3)); RATES(:,4) = (( CONSTANTS(:,3).*STATES(:,1).*STATES(:,3) - CONSTANTS(:,4).*STATES(:,4))+ CONSTANTS(:,10).*STATES(:,9)) - CONSTANTS(:,3).*STATES(:,2).*STATES(:,4); RATES(:,5) = (((( CONSTANTS(:,9).*STATES(:,2).*STATES(:,3) - CONSTANTS(:,10).*STATES(:,5))+ CONSTANTS(:,6).*STATES(:,6)) - CONSTANTS(:,5).*STATES(:,1).*STATES(:,5))+ CONSTANTS(:,8).*STATES(:,9)) - CONSTANTS(:,7).*STATES(:,1).*STATES(:,5); RATES(:,6) = (( CONSTANTS(:,5).*STATES(:,1).*STATES(:,5) - CONSTANTS(:,6).*STATES(:,6))+ CONSTANTS(:,8).*STATES(:,7)) - CONSTANTS(:,7).*STATES(:,1).*STATES(:,6); RATES(:,7) = ( CONSTANTS(:,5).*STATES(:,1).*STATES(:,9) - CONSTANTS(:,6).*STATES(:,7))+ CONSTANTS(:,8).*(STATES(:,8) - STATES(:,7))+ CONSTANTS(:,7).*STATES(:,1).*(STATES(:,6) - STATES(:,7)); RATES(:,8) = CONSTANTS(:,7).*STATES(:,1).*STATES(:,7) - CONSTANTS(:,8).*STATES(:,8); RATES(:,9) = (((( CONSTANTS(:,9).*STATES(:,2).*STATES(:,4) - CONSTANTS(:,10).*STATES(:,9))+ CONSTANTS(:,6).*STATES(:,7)) - CONSTANTS(:,5).*STATES(:,1).*STATES(:,9))+ CONSTANTS(:,7).*STATES(:,1).*STATES(:,5)) - CONSTANTS(:,8).*STATES(:,9); 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(:,3)+STATES(:,4)+STATES(:,7)+STATES(:,8)+STATES(:,9))./STATES(:,1); 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