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 14 entries in each of the rate and state variable arrays. % There are a total of 24 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('NatP in component NatP (molecules)'); LEGEND_CONSTANTS(:,23) = strpad('v1 in component v1 (flux)'); LEGEND_ALGEBRAIC(:,1) = strpad('v2 in component v2 (flux)'); LEGEND_ALGEBRAIC(:,5) = strpad('v5 in component v5 (flux)'); LEGEND_STATES(:,2) = strpad('MisP in component MisP (molecules)'); LEGEND_ALGEBRAIC(:,2) = strpad('v3 in component v3 (flux)'); LEGEND_ALGEBRAIC(:,4) = strpad('v4 in component v4 (flux)'); LEGEND_ALGEBRAIC(:,6) = strpad('v6 in component v6 (flux)'); LEGEND_ALGEBRAIC(:,7) = strpad('v7 in component v7 (flux)'); LEGEND_STATES(:,3) = strpad('MCom in component MCom (molecules)'); LEGEND_STATES(:,4) = strpad('Hsp90 in component Hsp90 (molecules)'); LEGEND_ALGEBRAIC(:,9) = strpad('v9 in component v9 (flux)'); LEGEND_ALGEBRAIC(:,17) = strpad('v16 in component v16 (flux)'); LEGEND_ALGEBRAIC(:,8) = strpad('v8 in component v8 (flux)'); LEGEND_ALGEBRAIC(:,18) = strpad('v17 in component v17 (flux)'); LEGEND_STATES(:,5) = strpad('HCom in component HCom (molecules)'); LEGEND_STATES(:,6) = strpad('HSF1 in component HSF1 (molecules)'); LEGEND_ALGEBRAIC(:,15) = strpad('v13 in component v13 (flux)'); LEGEND_ALGEBRAIC(:,13) = strpad('v12 in component v12 (flux)'); LEGEND_ALGEBRAIC(:,11) = strpad('v10 in component v10 (flux)'); LEGEND_ALGEBRAIC(:,12) = strpad('v11 in component v11 (flux)'); LEGEND_STATES(:,7) = strpad('DiH in component DiH (molecules)'); LEGEND_STATES(:,8) = strpad('TriH in component TriH (molecules)'); LEGEND_ALGEBRAIC(:,14) = strpad('v14 in component v14 (flux)'); LEGEND_ALGEBRAIC(:,16) = strpad('v15 in component v15 (flux)'); LEGEND_STATES(:,9) = strpad('HSE_TriH in component HSE_TriH (molecules)'); LEGEND_STATES(:,10) = strpad('HSE in component HSE (molecules)'); LEGEND_STATES(:,11) = strpad('AggP in component AggP (molecules)'); LEGEND_ALGEBRAIC(:,10) = strpad('v7b in component v7b (flux)'); LEGEND_STATES(:,12) = strpad('ROS in component ROS (molecules)'); LEGEND_CONSTANTS(:,24) = strpad('v20 in component v20 (flux)'); LEGEND_ALGEBRAIC(:,3) = strpad('v21 in component v21 (flux)'); LEGEND_STATES(:,13) = strpad('ATP in component ATP (molecules)'); LEGEND_ALGEBRAIC(:,19) = strpad('v18 in component v18 (flux)'); LEGEND_ALGEBRAIC(:,20) = strpad('v19 in component v19 (flux)'); LEGEND_STATES(:,14) = strpad('ADP in component ADP (molecules)'); LEGEND_CONSTANTS(:,1) = strpad('k1 in component v1 (flux)'); LEGEND_CONSTANTS(:,2) = strpad('k2 in component v2 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,3) = strpad('k3 in component v3 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,4) = strpad('k4 in component v4 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,5) = strpad('k5 in component v5 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,6) = strpad('k6 in component v6 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,7) = strpad('k7 in component v7 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,8) = strpad('k7 in component v7b (second_order_rate_constant)'); LEGEND_CONSTANTS(:,9) = strpad('k8 in component v8 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,10) = strpad('k9 in component v9 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,11) = strpad('k10 in component v10 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,12) = strpad('k11 in component v11 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,13) = strpad('k12 in component v12 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,14) = strpad('k13 in component v13 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,15) = strpad('k14 in component v14 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,16) = strpad('k15 in component v15 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,17) = strpad('k16 in component v16 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,18) = strpad('k17 in component v17 (second_order_rate_constant)'); LEGEND_CONSTANTS(:,19) = strpad('k18 in component v18 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,20) = strpad('k19 in component v19 (first_order_rate_constant)'); LEGEND_CONSTANTS(:,21) = strpad('k20 in component v20 (flux)'); LEGEND_CONSTANTS(:,22) = strpad('k21 in component v21 (first_order_rate_constant)'); LEGEND_RATES(:,1) = strpad('d/dt NatP in component NatP (molecules)'); LEGEND_RATES(:,2) = strpad('d/dt MisP in component MisP (molecules)'); LEGEND_RATES(:,3) = strpad('d/dt MCom in component MCom (molecules)'); LEGEND_RATES(:,4) = strpad('d/dt Hsp90 in component Hsp90 (molecules)'); LEGEND_RATES(:,5) = strpad('d/dt HCom in component HCom (molecules)'); LEGEND_RATES(:,6) = strpad('d/dt HSF1 in component HSF1 (molecules)'); LEGEND_RATES(:,7) = strpad('d/dt DiH in component DiH (molecules)'); LEGEND_RATES(:,8) = strpad('d/dt TriH in component TriH (molecules)'); LEGEND_RATES(:,9) = strpad('d/dt HSE_TriH in component HSE_TriH (molecules)'); LEGEND_RATES(:,10) = strpad('d/dt HSE in component HSE (molecules)'); LEGEND_RATES(:,11) = strpad('d/dt AggP in component AggP (molecules)'); LEGEND_RATES(:,12) = strpad('d/dt ROS in component ROS (molecules)'); LEGEND_RATES(:,13) = strpad('d/dt ATP in component ATP (molecules)'); LEGEND_RATES(:,14) = strpad('d/dt ADP in component ADP (molecules)'); 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) = 6000000; STATES(:,2) = 0; STATES(:,3) = 0; STATES(:,4) = 300000; STATES(:,5) = 5900; STATES(:,6) = 100; STATES(:,7) = 0; STATES(:,8) = 0; STATES(:,9) = 0; STATES(:,10) = 1; STATES(:,11) = 0; STATES(:,12) = 100; STATES(:,13) = 10000; STATES(:,14) = 1000; CONSTANTS(:,1) = 10; CONSTANTS(:,2) = 0.00002; CONSTANTS(:,3) = 50; CONSTANTS(:,4) = 0.00001; CONSTANTS(:,5) = 4e-6; CONSTANTS(:,6) = 6e-7; CONSTANTS(:,7) = 1e-7; CONSTANTS(:,8) = 1e-7; CONSTANTS(:,9) = 500; CONSTANTS(:,10) = 1; CONSTANTS(:,11) = 0.01; CONSTANTS(:,12) = 100; CONSTANTS(:,13) = 0.5; CONSTANTS(:,14) = 0.5; CONSTANTS(:,15) = 0.05; CONSTANTS(:,16) = 0.08; CONSTANTS(:,17) = 1000; CONSTANTS(:,18) = 8.02e-9; CONSTANTS(:,19) = 12; CONSTANTS(:,20) = 0.02; CONSTANTS(:,21) = 0.1; CONSTANTS(:,22) = 0.00001; CONSTANTS(:,23) = CONSTANTS(:,1); CONSTANTS(:,24) = CONSTANTS(:,21); 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(:,2).*STATES(:,1).*STATES(:,12); ALGEBRAIC(:,3) = CONSTANTS(:,22).*STATES(:,12); RATES(:,12) = (ALGEBRAIC(:,1)+CONSTANTS(:,24)) - (ALGEBRAIC(:,1)+ALGEBRAIC(:,3)); ALGEBRAIC(:,5) = CONSTANTS(:,5).*STATES(:,3).*STATES(:,13); RATES(:,1) = (CONSTANTS(:,23)+ALGEBRAIC(:,5)) - ALGEBRAIC(:,1); ALGEBRAIC(:,2) = CONSTANTS(:,3).*STATES(:,2).*STATES(:,4); ALGEBRAIC(:,4) = CONSTANTS(:,4).*STATES(:,3); RATES(:,3) = ALGEBRAIC(:,2) - (ALGEBRAIC(:,4)+ALGEBRAIC(:,5)); ALGEBRAIC(:,6) = CONSTANTS(:,6).*STATES(:,2).*STATES(:,13); ALGEBRAIC(:,7) = CONSTANTS(:,7).*STATES(:,2).*STATES(:,2); RATES(:,2) = (ALGEBRAIC(:,1)+ALGEBRAIC(:,4)) - (ALGEBRAIC(:,2)+ALGEBRAIC(:,6)+ 2.00000.*ALGEBRAIC(:,7)); ALGEBRAIC(:,9) = CONSTANTS(:,10).*STATES(:,5); ALGEBRAIC(:,8) = CONSTANTS(:,9).*STATES(:,6).*STATES(:,4); RATES(:,5) = ALGEBRAIC(:,8) - ALGEBRAIC(:,9); ALGEBRAIC(:,10) = CONSTANTS(:,8).*STATES(:,2).*STATES(:,11); RATES(:,11) = (ALGEBRAIC(:,7)+ 2.00000.*ALGEBRAIC(:,10)) - ALGEBRAIC(:,10); ALGEBRAIC(:,15) = CONSTANTS(:,14).*STATES(:,7); ALGEBRAIC(:,13) = CONSTANTS(:,13).*STATES(:,8); ALGEBRAIC(:,11) = CONSTANTS(:,11).*STATES(:,6).*STATES(:,6); ALGEBRAIC(:,12) = CONSTANTS(:,12).*STATES(:,7).*STATES(:,6); RATES(:,6) = (ALGEBRAIC(:,9)+ 2.00000.*ALGEBRAIC(:,15)+ALGEBRAIC(:,13)) - (ALGEBRAIC(:,8)+ 2.00000.*ALGEBRAIC(:,11)+ALGEBRAIC(:,12)); RATES(:,7) = (ALGEBRAIC(:,11)+ALGEBRAIC(:,13)) - (ALGEBRAIC(:,12)+ALGEBRAIC(:,15)); ALGEBRAIC(:,14) = CONSTANTS(:,15).*STATES(:,10).*STATES(:,8); ALGEBRAIC(:,16) = CONSTANTS(:,16).*STATES(:,9); RATES(:,8) = (ALGEBRAIC(:,12)+ALGEBRAIC(:,16)) - (ALGEBRAIC(:,13)+ALGEBRAIC(:,14)); RATES(:,10) = ALGEBRAIC(:,16) - ALGEBRAIC(:,14); ALGEBRAIC(:,17) = CONSTANTS(:,17).*STATES(:,9); RATES(:,9) = (ALGEBRAIC(:,14)+ALGEBRAIC(:,17)) - (ALGEBRAIC(:,16)+ALGEBRAIC(:,17)); ALGEBRAIC(:,18) = CONSTANTS(:,18).*STATES(:,4).*STATES(:,13); RATES(:,4) = (ALGEBRAIC(:,5)+ALGEBRAIC(:,4)+ALGEBRAIC(:,9)+ALGEBRAIC(:,17)) - (ALGEBRAIC(:,2)+ALGEBRAIC(:,8)+ALGEBRAIC(:,18)); ALGEBRAIC(:,19) = CONSTANTS(:,19).*STATES(:,14); ALGEBRAIC(:,20) = CONSTANTS(:,20).*STATES(:,13); RATES(:,13) = ALGEBRAIC(:,19) - (ALGEBRAIC(:,5)+ALGEBRAIC(:,6)+ALGEBRAIC(:,18)+ALGEBRAIC(:,20)); RATES(:,14) = (ALGEBRAIC(:,5)+ALGEBRAIC(:,6)+ALGEBRAIC(:,18)+ALGEBRAIC(:,20)) - ALGEBRAIC(:,19); 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(:,2).*STATES(:,1).*STATES(:,12); ALGEBRAIC(:,3) = CONSTANTS(:,22).*STATES(:,12); ALGEBRAIC(:,5) = CONSTANTS(:,5).*STATES(:,3).*STATES(:,13); ALGEBRAIC(:,2) = CONSTANTS(:,3).*STATES(:,2).*STATES(:,4); ALGEBRAIC(:,4) = CONSTANTS(:,4).*STATES(:,3); ALGEBRAIC(:,6) = CONSTANTS(:,6).*STATES(:,2).*STATES(:,13); ALGEBRAIC(:,7) = CONSTANTS(:,7).*STATES(:,2).*STATES(:,2); ALGEBRAIC(:,9) = CONSTANTS(:,10).*STATES(:,5); ALGEBRAIC(:,8) = CONSTANTS(:,9).*STATES(:,6).*STATES(:,4); ALGEBRAIC(:,10) = CONSTANTS(:,8).*STATES(:,2).*STATES(:,11); ALGEBRAIC(:,15) = CONSTANTS(:,14).*STATES(:,7); ALGEBRAIC(:,13) = CONSTANTS(:,13).*STATES(:,8); ALGEBRAIC(:,11) = CONSTANTS(:,11).*STATES(:,6).*STATES(:,6); ALGEBRAIC(:,12) = CONSTANTS(:,12).*STATES(:,7).*STATES(:,6); ALGEBRAIC(:,14) = CONSTANTS(:,15).*STATES(:,10).*STATES(:,8); ALGEBRAIC(:,16) = CONSTANTS(:,16).*STATES(:,9); ALGEBRAIC(:,17) = CONSTANTS(:,17).*STATES(:,9); ALGEBRAIC(:,18) = CONSTANTS(:,18).*STATES(:,4).*STATES(:,13); ALGEBRAIC(:,19) = CONSTANTS(:,19).*STATES(:,14); ALGEBRAIC(:,20) = CONSTANTS(:,20).*STATES(:,13); 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