# Size of variable arrays: sizeAlgebraic = 30 sizeStates = 18 sizeConstants = 33 from math import * from numpy import * def createLegends(): legend_states = [""] * sizeStates legend_rates = [""] * sizeStates legend_algebraic = [""] * sizeAlgebraic legend_voi = "" legend_constants = [""] * sizeConstants legend_voi = "time in component environment (second)" legend_states[0] = "q_ATP in component environment (fmol)" legend_states[1] = "q_AC in component environment (fmol)" legend_states[2] = "q_cAMP in component environment (fmol)" legend_states[3] = "q_AC_ATP in component environment (fmol)" legend_states[4] = "q_FSK in component environment (fmol)" legend_states[5] = "q_FSK_AC in component environment (fmol)" legend_states[6] = "q_FSK_AC_ATP in component environment (fmol)" legend_states[7] = "q_Gsa_GTP in component environment (fmol)" legend_states[8] = "q_Gsa_GTP_AC in component environment (fmol)" legend_states[9] = "q_Gsa_GTP_AC_ATP in component environment (fmol)" legend_states[10] = "q_PDE in component environment (fmol)" legend_states[11] = "q_PDEinh in component environment (fmol)" legend_states[12] = "q_PDE_cAMP in component environment (fmol)" legend_states[13] = "q_IBMX in component environment (fmol)" legend_states[14] = "q_five_AMP in component environment (fmol)" legend_states[15] = "q_Gia_GTP in component environment (fmol)" legend_states[16] = "q_ACinh in component environment (fmol)" legend_states[17] = "q_PPi in component environment (fmol)" legend_algebraic[18] = "v_1a in component cAMP (fmol_per_sec)" legend_algebraic[19] = "v_1b in component cAMP (fmol_per_sec)" legend_algebraic[20] = "v_2a in component cAMP (fmol_per_sec)" legend_algebraic[21] = "v_2b in component cAMP (fmol_per_sec)" legend_algebraic[22] = "v_3a in component cAMP (fmol_per_sec)" legend_algebraic[23] = "v_3b in component cAMP (fmol_per_sec)" legend_algebraic[24] = "v_4a in component cAMP (fmol_per_sec)" legend_algebraic[26] = "v_4b in component cAMP (fmol_per_sec)" legend_algebraic[28] = "v_5 in component cAMP (fmol_per_sec)" legend_algebraic[25] = "v_6 in component cAMP (fmol_per_sec)" legend_algebraic[27] = "v_7 in component cAMP (fmol_per_sec)" legend_algebraic[29] = "v_GiAC in component cAMP (fmol_per_sec)" legend_constants[0] = "kappa_1a in component cAMP_parameters (fmol_per_sec)" legend_constants[1] = "kappa_1b in component cAMP_parameters (fmol_per_sec)" legend_constants[2] = "kappa_2a in component cAMP_parameters (fmol_per_sec)" legend_constants[3] = "kappa_2b in component cAMP_parameters (fmol_per_sec)" legend_constants[4] = "kappa_3a in component cAMP_parameters (fmol_per_sec)" legend_constants[5] = "kappa_3b in component cAMP_parameters (fmol_per_sec)" legend_constants[6] = "kappa_4a in component cAMP_parameters (fmol_per_sec)" legend_constants[7] = "kappa_4b in component cAMP_parameters (fmol_per_sec)" legend_constants[8] = "kappa_5 in component cAMP_parameters (fmol_per_sec)" legend_constants[9] = "kappa_6 in component cAMP_parameters (fmol_per_sec)" legend_constants[10] = "kappa_7 in component cAMP_parameters (fmol_per_sec)" legend_constants[11] = "kappa_GiAC in component cAMP_parameters (fmol_per_sec)" legend_constants[12] = "K_ATP in component cAMP_parameters (per_fmol)" legend_constants[13] = "K_cAMP in component cAMP_parameters (per_fmol)" legend_constants[14] = "K_AC in component cAMP_parameters (per_fmol)" legend_constants[15] = "K_AC_ATP in component cAMP_parameters (per_fmol)" legend_constants[16] = "K_Gsa_GTP_AC in component cAMP_parameters (per_fmol)" legend_constants[17] = "K_Gsa_GTP_AC_ATP in component cAMP_parameters (per_fmol)" legend_constants[18] = "K_FSK_AC in component cAMP_parameters (per_fmol)" legend_constants[19] = "K_FSK_AC_ATP in component cAMP_parameters (per_fmol)" legend_constants[20] = "K_PDE in component cAMP_parameters (per_fmol)" legend_constants[21] = "K_PDE_cAMP in component cAMP_parameters (per_fmol)" legend_constants[22] = "K_five_AMP in component cAMP_parameters (per_fmol)" legend_constants[23] = "K_IBMX in component cAMP_parameters (per_fmol)" legend_constants[24] = "K_PDEinh in component cAMP_parameters (per_fmol)" legend_constants[25] = "K_Gsa_GTP in component cAMP_parameters (per_fmol)" legend_constants[26] = "K_FSK in component cAMP_parameters (per_fmol)" legend_constants[27] = "K_Gia_GTP in component cAMP_parameters (per_fmol)" legend_constants[28] = "K_ACinh in component cAMP_parameters (per_fmol)" legend_constants[29] = "K_PPi in component cAMP_parameters (per_fmol)" legend_constants[30] = "R in component constants (J_per_K_per_mol)" legend_constants[31] = "T in component constants (kelvin)" legend_algebraic[0] = "mu_ATP in component cAMP (J_per_mol)" legend_algebraic[1] = "mu_cAMP in component cAMP (J_per_mol)" legend_algebraic[2] = "mu_AC in component cAMP (J_per_mol)" legend_algebraic[3] = "mu_AC_ATP in component cAMP (J_per_mol)" legend_algebraic[4] = "mu_Gsa_GTP_AC in component cAMP (J_per_mol)" legend_algebraic[5] = "mu_Gsa_GTP_AC_ATP in component cAMP (J_per_mol)" legend_algebraic[6] = "mu_FSK_AC in component cAMP (J_per_mol)" legend_algebraic[7] = "mu_FSK_AC_ATP in component cAMP (J_per_mol)" legend_algebraic[8] = "mu_PDE in component cAMP (J_per_mol)" legend_algebraic[9] = "mu_PDE_cAMP in component cAMP (J_per_mol)" legend_algebraic[10] = "mu_five_AMP in component cAMP (J_per_mol)" legend_algebraic[11] = "mu_IBMX in component cAMP (J_per_mol)" legend_algebraic[12] = "mu_PDEinh in component cAMP (J_per_mol)" legend_algebraic[13] = "mu_Gsa_GTP in component cAMP (J_per_mol)" legend_algebraic[14] = "mu_FSK in component cAMP (J_per_mol)" legend_algebraic[15] = "mu_Gia_GTP in component cAMP (J_per_mol)" legend_algebraic[16] = "mu_ACinh in component cAMP (J_per_mol)" legend_algebraic[17] = "mu_PPi in component cAMP (J_per_mol)" legend_constants[32] = "F in component constants (C_per_mol)" legend_rates[0] = "d/dt q_ATP in component environment (fmol)" legend_rates[1] = "d/dt q_AC in component environment (fmol)" legend_rates[3] = "d/dt q_AC_ATP in component environment (fmol)" legend_rates[2] = "d/dt q_cAMP in component environment (fmol)" legend_rates[4] = "d/dt q_FSK in component environment (fmol)" legend_rates[5] = "d/dt q_FSK_AC in component environment (fmol)" legend_rates[6] = "d/dt q_FSK_AC_ATP in component environment (fmol)" legend_rates[7] = "d/dt q_Gsa_GTP in component environment (fmol)" legend_rates[8] = "d/dt q_Gsa_GTP_AC in component environment (fmol)" legend_rates[9] = "d/dt q_Gsa_GTP_AC_ATP in component environment (fmol)" legend_rates[12] = "d/dt q_PDE_cAMP in component environment (fmol)" legend_rates[10] = "d/dt q_PDE in component environment (fmol)" legend_rates[13] = "d/dt q_IBMX in component environment (fmol)" legend_rates[11] = "d/dt q_PDEinh in component environment (fmol)" legend_rates[14] = "d/dt q_five_AMP in component environment (fmol)" legend_rates[15] = "d/dt q_Gia_GTP in component environment (fmol)" legend_rates[16] = "d/dt q_ACinh in component environment (fmol)" legend_rates[17] = "d/dt q_PPi in component environment (fmol)" return (legend_states, legend_algebraic, legend_voi, legend_constants) def initConsts(): constants = [0.0] * sizeConstants; states = [0.0] * sizeStates; states[0] = 190 states[1] = 1.889E-03 states[2] = 3.212E-02 states[3] = 1e-18 states[4] = 3.8e-5 states[5] = 1e-18 states[6] = 1e-18 states[7] = 9.519E-04 states[8] = 1e-18 states[9] = 1e-18 states[10] = 1.482E-03 states[11] = 1e-18 states[12] = 1e-18 states[13] = 3.80E-06 states[14] = 1e-18 states[15] = 4.81E-04 states[16] = 1e-18 states[17] = 1e-18 constants[0] = 9.47329e+06 constants[1] = 0.00197793 constants[2] = 176000 constants[3] = 0.047492 constants[4] = 5.07667e+08 constants[5] = 5.9031e-17 constants[6] = 36084.5 constants[7] = 0.138787 constants[8] = 751.564 constants[9] = 556.617 constants[10] = 160555 constants[11] = 685.521 constants[12] = 9.19362e-06 constants[13] = 0.0102598 constants[14] = 9.02358 constants[15] = 2.93942 constants[16] = 52.2258 constants[17] = 5.20284 constants[18] = 0.181058 constants[19] = 0.0492449 constants[20] = 2.28256 constants[21] = 1.04728 constants[22] = 0.0102598 constants[23] = 0.01642 constants[24] = 38.679 constants[25] = 0.420618 constants[26] = 1.32565e-05 constants[27] = 0.013661 constants[28] = 42.4053 constants[29] = 2.60488e-05 constants[30] = 8.31 constants[31] = 310 constants[32] = 96485 return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic algebraic[0] = constants[30]*constants[31]*log(constants[12]*states[0]) algebraic[2] = constants[30]*constants[31]*log(constants[14]*states[1]) algebraic[3] = constants[30]*constants[31]*log(constants[15]*states[3]) algebraic[18] = constants[0]*(exp((algebraic[2]+algebraic[0])/(constants[30]*constants[31]))-exp(algebraic[3]/(constants[30]*constants[31]))) algebraic[1] = constants[30]*constants[31]*log(constants[13]*states[2]) algebraic[17] = constants[30]*constants[31]*log(constants[29]*states[17]) algebraic[19] = constants[1]*(exp(algebraic[3]/(constants[30]*constants[31]))-exp((algebraic[2]+algebraic[1]+algebraic[17])/(constants[30]*constants[31]))) rates[3] = algebraic[18]-algebraic[19] algebraic[4] = constants[30]*constants[31]*log(constants[16]*states[8]) algebraic[5] = constants[30]*constants[31]*log(constants[17]*states[9]) algebraic[20] = constants[2]*(exp((algebraic[4]+algebraic[0])/(constants[30]*constants[31]))-exp(algebraic[5]/(constants[30]*constants[31]))) algebraic[21] = constants[3]*(exp(algebraic[5]/(constants[30]*constants[31]))-exp((algebraic[4]+algebraic[1]+algebraic[17])/(constants[30]*constants[31]))) rates[9] = algebraic[20]-algebraic[21] algebraic[6] = constants[30]*constants[31]*log(constants[18]*states[5]) algebraic[7] = constants[30]*constants[31]*log(constants[19]*states[6]) algebraic[22] = constants[4]*(exp((algebraic[6]+algebraic[0])/(constants[30]*constants[31]))-exp(algebraic[7]/(constants[30]*constants[31]))) rates[0] = (-algebraic[18]-algebraic[22])-algebraic[20] algebraic[23] = constants[5]*(exp(algebraic[7]/(constants[30]*constants[31]))-exp((algebraic[6]+algebraic[1]+algebraic[17])/(constants[30]*constants[31]))) rates[6] = algebraic[22]-algebraic[23] algebraic[8] = constants[30]*constants[31]*log(constants[20]*states[10]) algebraic[9] = constants[30]*constants[31]*log(constants[21]*states[12]) algebraic[24] = constants[6]*(exp((algebraic[8]+algebraic[1])/(constants[30]*constants[31]))-exp(algebraic[9]/(constants[30]*constants[31]))) rates[2] = (algebraic[19]+algebraic[23]+algebraic[21])-algebraic[24] algebraic[13] = constants[30]*constants[31]*log(constants[25]*states[7]) algebraic[25] = constants[9]*(exp((algebraic[2]+algebraic[13])/(constants[30]*constants[31]))-exp(algebraic[4]/(constants[30]*constants[31]))) rates[7] = -algebraic[25] rates[8] = (algebraic[25]-algebraic[20])+algebraic[21] algebraic[14] = constants[30]*constants[31]*log(constants[26]*states[4]) algebraic[27] = constants[10]*(exp((algebraic[14]+algebraic[2])/(constants[30]*constants[31]))-exp(algebraic[6]/(constants[30]*constants[31]))) rates[4] = -algebraic[27] rates[5] = (algebraic[27]+algebraic[23])-algebraic[22] algebraic[10] = constants[30]*constants[31]*log(constants[22]*states[14]) algebraic[26] = constants[7]*(exp(algebraic[9]/(constants[30]*constants[31]))-exp((algebraic[8]+algebraic[10])/(constants[30]*constants[31]))) rates[12] = algebraic[24]-algebraic[26] rates[14] = algebraic[26] algebraic[15] = constants[30]*constants[31]*log(constants[27]*states[15]) algebraic[16] = constants[30]*constants[31]*log(constants[28]*states[16]) algebraic[29] = constants[11]*(exp((algebraic[2]+algebraic[15])/(constants[30]*constants[31]))-exp(algebraic[16]/(constants[30]*constants[31]))) rates[1] = (((algebraic[19]-algebraic[18])-algebraic[25])-algebraic[27])-algebraic[29] algebraic[11] = constants[30]*constants[31]*log(constants[23]*states[13]) algebraic[12] = constants[30]*constants[31]*log(constants[24]*states[11]) algebraic[28] = constants[8]*(exp((algebraic[8]+algebraic[11])/(constants[30]*constants[31]))-exp(algebraic[12]/(constants[30]*constants[31]))) rates[10] = (algebraic[26]-algebraic[24])-algebraic[28] rates[13] = -algebraic[28] rates[11] = algebraic[28] rates[15] = -algebraic[29] rates[16] = algebraic[29] rates[17] = algebraic[29] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[0] = constants[30]*constants[31]*log(constants[12]*states[0]) algebraic[2] = constants[30]*constants[31]*log(constants[14]*states[1]) algebraic[3] = constants[30]*constants[31]*log(constants[15]*states[3]) algebraic[18] = constants[0]*(exp((algebraic[2]+algebraic[0])/(constants[30]*constants[31]))-exp(algebraic[3]/(constants[30]*constants[31]))) algebraic[1] = constants[30]*constants[31]*log(constants[13]*states[2]) algebraic[17] = constants[30]*constants[31]*log(constants[29]*states[17]) algebraic[19] = constants[1]*(exp(algebraic[3]/(constants[30]*constants[31]))-exp((algebraic[2]+algebraic[1]+algebraic[17])/(constants[30]*constants[31]))) algebraic[4] = constants[30]*constants[31]*log(constants[16]*states[8]) algebraic[5] = constants[30]*constants[31]*log(constants[17]*states[9]) algebraic[20] = constants[2]*(exp((algebraic[4]+algebraic[0])/(constants[30]*constants[31]))-exp(algebraic[5]/(constants[30]*constants[31]))) algebraic[21] = constants[3]*(exp(algebraic[5]/(constants[30]*constants[31]))-exp((algebraic[4]+algebraic[1]+algebraic[17])/(constants[30]*constants[31]))) algebraic[6] = constants[30]*constants[31]*log(constants[18]*states[5]) algebraic[7] = constants[30]*constants[31]*log(constants[19]*states[6]) algebraic[22] = constants[4]*(exp((algebraic[6]+algebraic[0])/(constants[30]*constants[31]))-exp(algebraic[7]/(constants[30]*constants[31]))) algebraic[23] = constants[5]*(exp(algebraic[7]/(constants[30]*constants[31]))-exp((algebraic[6]+algebraic[1]+algebraic[17])/(constants[30]*constants[31]))) algebraic[8] = constants[30]*constants[31]*log(constants[20]*states[10]) algebraic[9] = constants[30]*constants[31]*log(constants[21]*states[12]) algebraic[24] = constants[6]*(exp((algebraic[8]+algebraic[1])/(constants[30]*constants[31]))-exp(algebraic[9]/(constants[30]*constants[31]))) algebraic[13] = constants[30]*constants[31]*log(constants[25]*states[7]) algebraic[25] = constants[9]*(exp((algebraic[2]+algebraic[13])/(constants[30]*constants[31]))-exp(algebraic[4]/(constants[30]*constants[31]))) algebraic[14] = constants[30]*constants[31]*log(constants[26]*states[4]) algebraic[27] = constants[10]*(exp((algebraic[14]+algebraic[2])/(constants[30]*constants[31]))-exp(algebraic[6]/(constants[30]*constants[31]))) algebraic[10] = constants[30]*constants[31]*log(constants[22]*states[14]) algebraic[26] = constants[7]*(exp(algebraic[9]/(constants[30]*constants[31]))-exp((algebraic[8]+algebraic[10])/(constants[30]*constants[31]))) algebraic[15] = constants[30]*constants[31]*log(constants[27]*states[15]) algebraic[16] = constants[30]*constants[31]*log(constants[28]*states[16]) algebraic[29] = constants[11]*(exp((algebraic[2]+algebraic[15])/(constants[30]*constants[31]))-exp(algebraic[16]/(constants[30]*constants[31]))) algebraic[11] = constants[30]*constants[31]*log(constants[23]*states[13]) algebraic[12] = constants[30]*constants[31]*log(constants[24]*states[11]) algebraic[28] = constants[8]*(exp((algebraic[8]+algebraic[11])/(constants[30]*constants[31]))-exp(algebraic[12]/(constants[30]*constants[31]))) return algebraic def solve_model(): """Solve model with ODE solver""" from scipy.integrate import ode # Initialise constants and state variables (init_states, constants) = initConsts() # Set timespan to solve over voi = linspace(0, 10, 500) # Construct ODE object to solve r = ode(computeRates) r.set_integrator('vode', method='bdf', atol=1e-06, rtol=1e-06, max_step=1) r.set_initial_value(init_states, voi[0]) r.set_f_params(constants) # Solve model states = array([[0.0] * len(voi)] * sizeStates) states[:,0] = init_states for (i,t) in enumerate(voi[1:]): if r.successful(): r.integrate(t) states[:,i+1] = r.y else: break # Compute algebraic variables algebraic = computeAlgebraic(constants, states, voi) return (voi, states, algebraic) def plot_model(voi, states, algebraic): """Plot variables against variable of integration""" import pylab (legend_states, legend_algebraic, legend_voi, legend_constants) = createLegends() pylab.figure(1) pylab.plot(voi,vstack((states,algebraic)).T) pylab.xlabel(legend_voi) pylab.legend(legend_states + legend_algebraic, loc='best') pylab.show() if __name__ == "__main__": (voi, states, algebraic) = solve_model() plot_model(voi, states, algebraic)