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 =13; end % There are a total of 8 entries in each of the rate and state variable arrays. % There are a total of 55 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_ALGEBRAIC(:,1) = strpad('time in component environment (second)'); LEGEND_STATES(:,1) = strpad('p in component p (dimensionless)'); LEGEND_CONSTANTS(:,31) = strpad('v1 in component v1 (dimensionless)'); LEGEND_ALGEBRAIC(:,2) = strpad('v2 in component v2 (dimensionless)'); LEGEND_ALGEBRAIC(:,7) = strpad('v7 in component v7 (dimensionless)'); LEGEND_VOI = strpad('tau in component normalised_constants (dimensionless)'); LEGEND_STATES(:,2) = strpad('a in component a (dimensionless)'); LEGEND_ALGEBRAIC(:,3) = strpad('v3 in component v3 (dimensionless)'); LEGEND_CONSTANTS(:,49) = strpad('epsilon1 in component normalised_constants (dimensionless)'); LEGEND_STATES(:,3) = strpad('c in component c (dimensionless)'); LEGEND_ALGEBRAIC(:,4) = strpad('v4 in component v4 (dimensionless)'); LEGEND_CONSTANTS(:,50) = strpad('epsilon2 in component normalised_constants (dimensionless)'); LEGEND_STATES(:,4) = strpad('k in component k (dimensionless)'); LEGEND_ALGEBRAIC(:,5) = strpad('v5 in component v5 (dimensionless)'); LEGEND_ALGEBRAIC(:,6) = strpad('v6 in component v6 (dimensionless)'); LEGEND_CONSTANTS(:,51) = strpad('epsilon3 in component normalised_constants (dimensionless)'); LEGEND_STATES(:,5) = strpad('o in component o (dimensionless)'); LEGEND_ALGEBRAIC(:,8) = strpad('v8 in component v8 (dimensionless)'); LEGEND_CONSTANTS(:,52) = strpad('epsilon4 in component normalised_constants (dimensionless)'); LEGEND_STATES(:,6) = strpad('n in component n (dimensionless)'); LEGEND_ALGEBRAIC(:,11) = strpad('vresp in component vresp (dimensionless)'); LEGEND_CONSTANTS(:,53) = strpad('epsilon5 in component normalised_constants (dimensionless)'); LEGEND_STATES(:,7) = strpad('en in component en (dimensionless)'); LEGEND_ALGEBRAIC(:,13) = strpad('vATP in component vATP (dimensionless)'); LEGEND_ALGEBRAIC(:,9) = strpad('vANT in component vANT (dimensionless)'); LEGEND_CONSTANTS(:,54) = strpad('epsilon6 in component normalised_constants (dimensionless)'); LEGEND_STATES(:,8) = strpad('s in component s (dimensionless)'); LEGEND_ALGEBRAIC(:,10) = strpad('vleak in component vleak (dimensionless)'); LEGEND_CONSTANTS(:,55) = strpad('epsilon7 in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,32) = strpad('beta2 in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,33) = strpad('beta3 in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,34) = strpad('beta4 in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,35) = strpad('beta5 in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,36) = strpad('delta_6 in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,37) = strpad('beta6 in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,38) = strpad('beta7 in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,39) = strpad('beta8 in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,40) = strpad('beta_ANT in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,41) = strpad('beta_leak in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,42) = strpad('beta_resp in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,43) = strpad('delta_r1 in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,44) = strpad('delta_r2 in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,45) = strpad('beta_ATP in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,46) = strpad('delta_atp in component normalised_constants (dimensionless)'); LEGEND_ALGEBRAIC(:,12) = strpad('en_crit in component en_crit (dimensionless)'); LEGEND_CONSTANTS(:,47) = strpad('Kapp_dash in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,48) = strpad('delta_crit in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,1) = strpad('At in component normalised_constants (millimolar)'); LEGEND_CONSTANTS(:,2) = strpad('Nt in component normalised_constants (millimolar)'); LEGEND_CONSTANTS(:,3) = strpad('Pyr_bar in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,4) = strpad('Cit_bar in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,5) = strpad('AcCoA_bar in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,6) = strpad('KG_bar in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,7) = strpad('OAA_bar in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,8) = strpad('k1 in component normalised_constants (micromolar_per_second)'); LEGEND_CONSTANTS(:,9) = strpad('k2 in component normalised_constants (second_order_rate_constant)'); LEGEND_CONSTANTS(:,10) = strpad('k3 in component normalised_constants (second_order_rate_constant)'); LEGEND_CONSTANTS(:,11) = strpad('k4 in component normalised_constants (second_order_rate_constant)'); LEGEND_CONSTANTS(:,12) = strpad('k5 in component normalised_constants (third_order_rate_constant)'); LEGEND_CONSTANTS(:,13) = strpad('k6 in component normalised_constants (first_order_rate_constant)'); LEGEND_CONSTANTS(:,14) = strpad('k7 in component normalised_constants (second_order_rate_constant)'); LEGEND_CONSTANTS(:,15) = strpad('k8 in component normalised_constants (first_order_rate_constant)'); LEGEND_CONSTANTS(:,16) = strpad('kresp in component normalised_constants (millimolar_per_second)'); LEGEND_CONSTANTS(:,17) = strpad('kATP in component normalised_constants (millimolar_per_second)'); LEGEND_CONSTANTS(:,18) = strpad('kANT in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,19) = strpad('kleak in component normalised_constants (molar_per_millivolt_per_second)'); LEGEND_CONSTANTS(:,20) = strpad('Keq in component normalised_constants (dimensionless)'); LEGEND_CONSTANTS(:,21) = strpad('K in component normalised_constants (millimolar)'); LEGEND_CONSTANTS(:,22) = strpad('alpha in component normalised_constants (per_millivolt)'); LEGEND_CONSTANTS(:,23) = strpad('b in component normalised_constants (per_millimolar)'); LEGEND_CONSTANTS(:,24) = strpad('delta_psi_m in component normalised_constants (millivolt)'); LEGEND_CONSTANTS(:,25) = strpad('R in component normalised_constants (joule_per_mole_kelvin)'); LEGEND_CONSTANTS(:,26) = strpad('T in component normalised_constants (kelvin)'); LEGEND_CONSTANTS(:,27) = strpad('F in component normalised_constants (coulomb_per_mole)'); LEGEND_CONSTANTS(:,28) = strpad('C in component normalised_constants (millimolar_per_millivolt)'); LEGEND_CONSTANTS(:,29) = strpad('Kapp in component normalised_constants (per_millimolar)'); LEGEND_CONSTANTS(:,30) = strpad('Pi in component normalised_constants (millimolar)'); LEGEND_RATES(:,1) = strpad('d/dt p in component p (dimensionless)'); LEGEND_RATES(:,2) = strpad('d/dt a in component a (dimensionless)'); LEGEND_RATES(:,3) = strpad('d/dt c in component c (dimensionless)'); LEGEND_RATES(:,4) = strpad('d/dt k in component k (dimensionless)'); LEGEND_RATES(:,5) = strpad('d/dt o in component o (dimensionless)'); LEGEND_RATES(:,6) = strpad('d/dt n in component n (dimensionless)'); LEGEND_RATES(:,7) = strpad('d/dt en in component en (dimensionless)'); LEGEND_RATES(:,8) = strpad('d/dt s in component s (dimensionless)'); 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) = 0.154; STATES(:,2) = 0.063; STATES(:,3) = 0.44; STATES(:,4) = 0.225; STATES(:,5) = 0.005; STATES(:,6) = 0.856; STATES(:,7) = 3.536; STATES(:,8) = 150.0; CONSTANTS(:,1) = 4.160; CONSTANTS(:,2) = 1.070; CONSTANTS(:,3) = 0.161; CONSTANTS(:,4) = 0.460; CONSTANTS(:,5) = 0.105; CONSTANTS(:,6) = 0.146; CONSTANTS(:,7) = 0.004; CONSTANTS(:,8) = 38; CONSTANTS(:,9) = 152; CONSTANTS(:,10) = 57142; CONSTANTS(:,11) = 53; CONSTANTS(:,12) = 40; CONSTANTS(:,13) = 82361; CONSTANTS(:,14) = 3.2e-3; CONSTANTS(:,15) = 3.6; CONSTANTS(:,16) = 2.5; CONSTANTS(:,17) = 131.9; CONSTANTS(:,18) = 0.1; CONSTANTS(:,19) = 0.426; CONSTANTS(:,20) = 0.3975; CONSTANTS(:,21) = 2; CONSTANTS(:,22) = 0.100; CONSTANTS(:,23) = 0.004; CONSTANTS(:,24) = 150.0; CONSTANTS(:,25) = 8.314; CONSTANTS(:,26) = 298; CONSTANTS(:,27) = 96485; CONSTANTS(:,28) = 6.75e-06; CONSTANTS(:,29) = 4.4e-6; CONSTANTS(:,30) = 2.440; CONSTANTS(:,31) = 1.00000; CONSTANTS(:,32) = (CONSTANTS(:,9)./CONSTANTS(:,8)).*CONSTANTS(:,2).*CONSTANTS(:,3); CONSTANTS(:,33) = (CONSTANTS(:,10)./CONSTANTS(:,8)).*CONSTANTS(:,7).*CONSTANTS(:,5); CONSTANTS(:,34) = (CONSTANTS(:,11)./CONSTANTS(:,8)).*CONSTANTS(:,2).*CONSTANTS(:,4); CONSTANTS(:,35) = (CONSTANTS(:,12)./CONSTANTS(:,8)).*CONSTANTS(:,2).*CONSTANTS(:,1).*CONSTANTS(:,6); CONSTANTS(:,36) = CONSTANTS(:,6)./( CONSTANTS(:,7).*CONSTANTS(:,20)); CONSTANTS(:,37) = (CONSTANTS(:,13)./CONSTANTS(:,8)).*CONSTANTS(:,7); CONSTANTS(:,38) = (CONSTANTS(:,14)./CONSTANTS(:,8)).*CONSTANTS(:,1).*CONSTANTS(:,3); CONSTANTS(:,39) = (CONSTANTS(:,15)./CONSTANTS(:,8)).*CONSTANTS(:,7); CONSTANTS(:,40) = (CONSTANTS(:,18)./CONSTANTS(:,8)).*CONSTANTS(:,1); CONSTANTS(:,41) = (CONSTANTS(:,19)./CONSTANTS(:,8)).*CONSTANTS(:,24); CONSTANTS(:,42) = CONSTANTS(:,16)./CONSTANTS(:,8); CONSTANTS(:,43) = CONSTANTS(:,21)./CONSTANTS(:,2); CONSTANTS(:,44) = CONSTANTS(:,22).*CONSTANTS(:,24); CONSTANTS(:,45) = CONSTANTS(:,17)./CONSTANTS(:,8); CONSTANTS(:,46) = CONSTANTS(:,23).*CONSTANTS(:,1); CONSTANTS(:,47) = CONSTANTS(:,29).*CONSTANTS(:,30); CONSTANTS(:,48) = 3.00000.*(( 1.20000.*CONSTANTS(:,27).*CONSTANTS(:,24))./( CONSTANTS(:,25).*CONSTANTS(:,26))); CONSTANTS(:,49) = CONSTANTS(:,5)./CONSTANTS(:,3); CONSTANTS(:,50) = CONSTANTS(:,4)./CONSTANTS(:,3); CONSTANTS(:,51) = CONSTANTS(:,6)./CONSTANTS(:,3); CONSTANTS(:,52) = CONSTANTS(:,7)./CONSTANTS(:,3); CONSTANTS(:,53) = CONSTANTS(:,2)./CONSTANTS(:,3); CONSTANTS(:,54) = CONSTANTS(:,1)./CONSTANTS(:,3); CONSTANTS(:,55) = (CONSTANTS(:,24)./CONSTANTS(:,3)).*CONSTANTS(:,28); 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(:,2) = CONSTANTS(:,32).*STATES(:,1).*STATES(:,6); ALGEBRAIC(:,3) = CONSTANTS(:,33).*STATES(:,5).*STATES(:,2); RATES(:,2) = (ALGEBRAIC(:,2) - ALGEBRAIC(:,3))./CONSTANTS(:,49); ALGEBRAIC(:,4) = CONSTANTS(:,34).*STATES(:,3).*STATES(:,6); RATES(:,3) = (ALGEBRAIC(:,3) - ALGEBRAIC(:,4))./CONSTANTS(:,50); ALGEBRAIC(:,5) = CONSTANTS(:,35).*STATES(:,4).*STATES(:,6).*(1.00000 - STATES(:,7)); ALGEBRAIC(:,6) = CONSTANTS(:,37).*(STATES(:,5) - CONSTANTS(:,36).*STATES(:,4)); RATES(:,4) = ((ALGEBRAIC(:,4)+ALGEBRAIC(:,6)) - ALGEBRAIC(:,5))./CONSTANTS(:,51); ALGEBRAIC(:,7) = CONSTANTS(:,38).*STATES(:,1).*STATES(:,7); RATES(:,1) = CONSTANTS(:,31) - (ALGEBRAIC(:,2)+ALGEBRAIC(:,7)); ALGEBRAIC(:,8) = CONSTANTS(:,39).*STATES(:,5); RATES(:,5) = ((ALGEBRAIC(:,5)+ALGEBRAIC(:,7)) - (ALGEBRAIC(:,3)+ALGEBRAIC(:,8)+ALGEBRAIC(:,6)))./CONSTANTS(:,52); ALGEBRAIC(:,11) = CONSTANTS(:,42).*((1.00000 - STATES(:,6))./((CONSTANTS(:,43)+1.00000) - STATES(:,6))).*(1.00000./(1.00000+exp( CONSTANTS(:,44).*(STATES(:,8) - 1.00000)))); RATES(:,6) = (ALGEBRAIC(:,11) - (ALGEBRAIC(:,2)+ALGEBRAIC(:,4)+ 2.00000.*ALGEBRAIC(:,5)))./CONSTANTS(:,53); ALGEBRAIC(:,12) = CONSTANTS(:,47)./(CONSTANTS(:,47)+exp( -1.00000.*CONSTANTS(:,48).*STATES(:,8))); ALGEBRAIC(:,13) = CONSTANTS(:,45).*(2.00000./(1.00000+exp( CONSTANTS(:,46).*(STATES(:,7) - ALGEBRAIC(:,12).*STATES(:,8)))) - 1.00000); ALGEBRAIC(:,9) = CONSTANTS(:,40).*STATES(:,7); RATES(:,7) = ((ALGEBRAIC(:,13)+ALGEBRAIC(:,5)) - (ALGEBRAIC(:,9)+ALGEBRAIC(:,7)))./CONSTANTS(:,54); ALGEBRAIC(:,10) = CONSTANTS(:,41).*STATES(:,8); RATES(:,8) = ( 10.0000.*ALGEBRAIC(:,11) - ( 3.00000.*ALGEBRAIC(:,13)+ALGEBRAIC(:,10)+ALGEBRAIC(:,9)))./CONSTANTS(:,55); 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(:,2) = CONSTANTS(:,32).*STATES(:,1).*STATES(:,6); ALGEBRAIC(:,3) = CONSTANTS(:,33).*STATES(:,5).*STATES(:,2); ALGEBRAIC(:,4) = CONSTANTS(:,34).*STATES(:,3).*STATES(:,6); ALGEBRAIC(:,5) = CONSTANTS(:,35).*STATES(:,4).*STATES(:,6).*(1.00000 - STATES(:,7)); ALGEBRAIC(:,6) = CONSTANTS(:,37).*(STATES(:,5) - CONSTANTS(:,36).*STATES(:,4)); ALGEBRAIC(:,7) = CONSTANTS(:,38).*STATES(:,1).*STATES(:,7); ALGEBRAIC(:,8) = CONSTANTS(:,39).*STATES(:,5); ALGEBRAIC(:,11) = CONSTANTS(:,42).*((1.00000 - STATES(:,6))./((CONSTANTS(:,43)+1.00000) - STATES(:,6))).*(1.00000./(1.00000+exp( CONSTANTS(:,44).*(STATES(:,8) - 1.00000)))); ALGEBRAIC(:,12) = CONSTANTS(:,47)./(CONSTANTS(:,47)+exp( -1.00000.*CONSTANTS(:,48).*STATES(:,8))); ALGEBRAIC(:,13) = CONSTANTS(:,45).*(2.00000./(1.00000+exp( CONSTANTS(:,46).*(STATES(:,7) - ALGEBRAIC(:,12).*STATES(:,8)))) - 1.00000); ALGEBRAIC(:,9) = CONSTANTS(:,40).*STATES(:,7); ALGEBRAIC(:,10) = CONSTANTS(:,41).*STATES(:,8); [CONSTANTS, STATES, ALGEBRAIC] = rootfind_0(VOI, CONSTANTS, STATES, ALGEBRAIC); end % Functions required for solving differential algebraic equation function [CONSTANTS, STATES, ALGEBRAIC] = rootfind_0(VOI, CONSTANTS_IN, STATES_IN, ALGEBRAIC_IN) CONSTANTS = CONSTANTS_IN; STATES = STATES_IN; ALGEBRAIC = ALGEBRAIC_IN; global initialGuess_0; if (length(initialGuess_0) ~= 1), initialGuess_0 = 0.1;, end options = optimset('Display', 'off', 'TolX', 1E-6); if length(VOI) == 1 residualfn = @(algebraicCandidate)residualSN_0(algebraicCandidate, ALGEBRAIC, VOI, CONSTANTS, STATES); ALGEBRAIC(:,1) = fsolve(residualfn, initialGuess_0, options); initialGuess_0 = ALGEBRAIC(:,1); else SET_ALGEBRAIC(:,1) = logical(1); for i=1:length(VOI) residualfn = @(algebraicCandidate)residualSN_0(algebraicCandidate, ALGEBRAIC(i,:), VOI(i), CONSTANTS, STATES(i,:)); TEMP_ALGEBRAIC(:,1) = fsolve(residualfn, initialGuess_0, options); ALGEBRAIC(i,SET_ALGEBRAIC) = TEMP_ALGEBRAIC(SET_ALGEBRAIC); initialGuess_0 = TEMP_ALGEBRAIC(:,1); end end end function resid = residualSN_0(algebraicCandidate, ALGEBRAIC, VOI, CONSTANTS, STATES) ALGEBRAIC(:,1) = algebraicCandidate; resid = (VOI) - ( (CONSTANTS(:,8)./CONSTANTS(:,3)).*ALGEBRAIC(:,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