# Size of variable arrays: sizeAlgebraic = 22 sizeStates = 11 sizeConstants = 25 from math import * from numpy import * def createLegends(): legend_states = [""] * sizeStates legend_rates = [""] * sizeStates legend_algebraic = [""] * sizeAlgebraic legend_voi = "" legend_constants = [""] * sizeConstants legend_constants[0] = "kappa_R_1a_cGMP in component BG_parameters (fmol_per_sec)" legend_constants[1] = "kappa_R_1b_cGMP in component BG_parameters (fmol_per_sec)" legend_constants[2] = "kappa_R_2a_cGMP in component BG_parameters (fmol_per_sec)" legend_constants[3] = "kappa_R_2b_cGMP in component BG_parameters (fmol_per_sec)" legend_constants[4] = "kappa_R_1_sGC in component BG_parameters (fmol_per_sec)" legend_constants[5] = "kappa_R_2_sGC in component BG_parameters (fmol_per_sec)" legend_constants[6] = "kappa_R_3_sGC in component BG_parameters (fmol_per_sec)" legend_constants[7] = "kappa_R_4_sGC in component BG_parameters (fmol_per_sec)" legend_constants[8] = "kappa_R_DNO_sGC in component BG_parameters (fmol_per_sec)" legend_constants[9] = "K_GTP in component BG_parameters (per_fmol)" legend_constants[10] = "K_E5c in component BG_parameters (per_fmol)" legend_constants[11] = "K_cGMP in component BG_parameters (per_fmol)" legend_constants[12] = "K_PDE in component BG_parameters (per_fmol)" legend_constants[13] = "K_GTP_E5c in component BG_parameters (per_fmol)" legend_constants[14] = "K_cGMP_PDE in component BG_parameters (per_fmol)" legend_constants[15] = "K_GMP in component BG_parameters (per_fmol)" legend_constants[16] = "K_Eb in component BG_parameters (per_fmol)" legend_constants[17] = "K_NO in component BG_parameters (per_fmol)" legend_constants[18] = "K_E6c in component BG_parameters (per_fmol)" legend_constants[19] = "K_NO_product in component BG_parameters (per_fmol)" legend_voi = "t in component environment (second)" legend_constants[20] = "vol_myo in component environment (pL)" legend_states[0] = "q_cGMP in component environment (fmol)" legend_states[1] = "q_GTP in component environment (fmol)" legend_states[2] = "q_E5c in component environment (fmol)" legend_states[3] = "q_PDE in component environment (fmol)" legend_states[4] = "q_GTP_E5c in component environment (fmol)" legend_states[5] = "q_cGMP_PDE in component environment (fmol)" legend_states[6] = "q_GMP in component environment (fmol)" legend_states[7] = "q_Eb in component environment (fmol)" legend_states[8] = "q_NO in component environment (fmol)" legend_states[9] = "q_E6c in component environment (fmol)" legend_states[10] = "q_NO_product in component environment (fmol)" legend_algebraic[7] = "v_R_1a_cGMP in component cGMP (fmol_per_sec)" legend_algebraic[8] = "v_R_1b_cGMP in component cGMP (fmol_per_sec)" legend_algebraic[9] = "v_R_2a_cGMP in component cGMP (fmol_per_sec)" legend_algebraic[10] = "v_R_2b_cGMP in component cGMP (fmol_per_sec)" legend_algebraic[17] = "v_R_1_sGC in component sGC (fmol_per_sec)" legend_algebraic[18] = "v_R_2_sGC in component sGC (fmol_per_sec)" legend_algebraic[19] = "v_R_3_sGC in component sGC (fmol_per_sec)" legend_algebraic[20] = "v_R_4_sGC in component sGC (fmol_per_sec)" legend_algebraic[21] = "v_R_DNO_sGC in component sGC (fmol_per_sec)" legend_constants[21] = "v_NO_generation in component environment (fmol_per_sec)" legend_constants[22] = "R in component constants (J_per_K_per_mol)" legend_constants[23] = "T in component constants (kelvin)" legend_constants[24] = "F in component constants (C_per_mol)" legend_algebraic[0] = "mu_GTP in component cGMP (J_per_mol)" legend_algebraic[1] = "mu_E5c in component cGMP (J_per_mol)" legend_algebraic[2] = "mu_cGMP in component cGMP (J_per_mol)" legend_algebraic[3] = "mu_PDE in component cGMP (J_per_mol)" legend_algebraic[4] = "mu_GTP_E5c in component cGMP (J_per_mol)" legend_algebraic[5] = "mu_cGMP_PDE in component cGMP (J_per_mol)" legend_algebraic[6] = "mu_GMP in component cGMP (J_per_mol)" legend_algebraic[11] = "mu_Eb in component sGC (J_per_mol)" legend_algebraic[12] = "mu_NO in component sGC (J_per_mol)" legend_algebraic[13] = "mu_E6c in component sGC (J_per_mol)" legend_algebraic[14] = "mu_E5c in component sGC (J_per_mol)" legend_algebraic[15] = "mu_cGMP in component sGC (J_per_mol)" legend_algebraic[16] = "mu_NO_product in component sGC (J_per_mol)" legend_rates[0] = "d/dt q_cGMP in component environment (fmol)" legend_rates[1] = "d/dt q_GTP in component environment (fmol)" legend_rates[2] = "d/dt q_E5c in component environment (fmol)" legend_rates[3] = "d/dt q_PDE in component environment (fmol)" legend_rates[4] = "d/dt q_GTP_E5c in component environment (fmol)" legend_rates[5] = "d/dt q_cGMP_PDE in component environment (fmol)" legend_rates[6] = "d/dt q_GMP in component environment (fmol)" legend_rates[7] = "d/dt q_Eb in component environment (fmol)" legend_rates[8] = "d/dt q_NO in component environment (fmol)" legend_rates[9] = "d/dt q_E6c in component environment (fmol)" legend_rates[10] = "d/dt q_NO_product in component environment (fmol)" return (legend_states, legend_algebraic, legend_voi, legend_constants) def initConsts(): constants = [0.0] * sizeConstants; states = [0.0] * sizeStates; constants[0] = 192.663 constants[1] = 0.00328297 constants[2] = 56591.2 constants[3] = 0.0110353 constants[4] = 3.61127e+06 constants[5] = 0.00328297 constants[6] = 4.92446 constants[7] = 0.0361127 constants[8] = 0.01 constants[9] = 17040 constants[10] = 0.304602 constants[11] = 1 constants[12] = 17.6706 constants[13] = 5190.42 constants[14] = 35.3412 constants[15] = 0.0051282 constants[16] = 0.0276911 constants[17] = 1 constants[18] = 30.4602 constants[19] = 0.1 constants[20] = 1 states[0] = 1e-6 states[1] = 0.0005 states[2] = 1e-16 states[3] = 1e-10 states[4] = 1e-16 states[5] = 1e-16 states[6] = 1e-16 states[7] = 1e-6 states[8] = 0.00836 states[9] = 1e-16 states[10] = 1e-16 constants[21] = 0.000114 constants[22] = 8.31 constants[23] = 310 constants[24] = 96485 return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic algebraic[0] = constants[22]*constants[23]*log(constants[9]*states[1]) algebraic[1] = constants[22]*constants[23]*log(constants[10]*states[2]) algebraic[4] = constants[22]*constants[23]*log(constants[13]*states[4]) algebraic[7] = constants[0]*(exp((algebraic[0]+algebraic[1])/(constants[22]*constants[23]))-exp(algebraic[4]/(constants[22]*constants[23]))) rates[1] = -algebraic[7] algebraic[2] = constants[22]*constants[23]*log(constants[11]*states[0]) algebraic[8] = constants[1]*(exp(algebraic[4]/(constants[22]*constants[23]))-exp((algebraic[2]+algebraic[1])/(constants[22]*constants[23]))) rates[4] = algebraic[7]-algebraic[8] algebraic[3] = constants[22]*constants[23]*log(constants[12]*states[3]) algebraic[5] = constants[22]*constants[23]*log(constants[14]*states[5]) algebraic[9] = constants[2]*(exp((algebraic[2]+algebraic[3])/(constants[22]*constants[23]))-exp(algebraic[5]/(constants[22]*constants[23]))) algebraic[6] = constants[22]*constants[23]*log(constants[15]*states[6]) algebraic[10] = constants[3]*(exp((algebraic[5]+algebraic[2])/(constants[22]*constants[23]))-exp((algebraic[6]+algebraic[3])/(constants[22]*constants[23]))) rates[3] = -algebraic[9]+algebraic[10] rates[5] = algebraic[9]-algebraic[10] rates[6] = algebraic[10] algebraic[11] = constants[22]*constants[23]*log(constants[16]*states[7]) algebraic[12] = constants[22]*constants[23]*log(constants[17]*states[8]) algebraic[13] = constants[22]*constants[23]*log(constants[18]*states[9]) algebraic[17] = constants[4]*(exp((algebraic[11]+algebraic[12])/(constants[22]*constants[23]))-exp(algebraic[13]/(constants[22]*constants[23]))) algebraic[14] = constants[22]*constants[23]*log(constants[10]*states[2]) algebraic[18] = constants[5]*(exp(algebraic[13]/(constants[22]*constants[23]))-exp(algebraic[14]/(constants[22]*constants[23]))) algebraic[19] = constants[6]*(exp((algebraic[13]+algebraic[12])/(constants[22]*constants[23]))-exp((algebraic[14]+algebraic[12])/(constants[22]*constants[23]))) rates[9] = (algebraic[17]-algebraic[18])-algebraic[19] algebraic[15] = constants[22]*constants[23]*log(constants[11]*states[0]) algebraic[20] = constants[7]*(exp((algebraic[14]+algebraic[15]*2.00000)/(constants[22]*constants[23]))-exp((algebraic[11]+algebraic[12])/(constants[22]*constants[23]))) rates[0] = ((algebraic[8]-algebraic[9])-algebraic[10])-2.00000*algebraic[20] rates[2] = (-algebraic[7]+algebraic[8]+algebraic[18]+algebraic[19])-algebraic[20] rates[7] = -algebraic[17]+algebraic[20] algebraic[16] = constants[22]*constants[23]*log(constants[19]*states[10]) algebraic[21] = constants[8]*(exp(algebraic[12]/(constants[22]*constants[23]))-exp(algebraic[16]/(constants[22]*constants[23]))) rates[8] = ((-algebraic[17]+algebraic[20])-algebraic[21])+constants[21] rates[10] = algebraic[21] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[0] = constants[22]*constants[23]*log(constants[9]*states[1]) algebraic[1] = constants[22]*constants[23]*log(constants[10]*states[2]) algebraic[4] = constants[22]*constants[23]*log(constants[13]*states[4]) algebraic[7] = constants[0]*(exp((algebraic[0]+algebraic[1])/(constants[22]*constants[23]))-exp(algebraic[4]/(constants[22]*constants[23]))) algebraic[2] = constants[22]*constants[23]*log(constants[11]*states[0]) algebraic[8] = constants[1]*(exp(algebraic[4]/(constants[22]*constants[23]))-exp((algebraic[2]+algebraic[1])/(constants[22]*constants[23]))) algebraic[3] = constants[22]*constants[23]*log(constants[12]*states[3]) algebraic[5] = constants[22]*constants[23]*log(constants[14]*states[5]) algebraic[9] = constants[2]*(exp((algebraic[2]+algebraic[3])/(constants[22]*constants[23]))-exp(algebraic[5]/(constants[22]*constants[23]))) algebraic[6] = constants[22]*constants[23]*log(constants[15]*states[6]) algebraic[10] = constants[3]*(exp((algebraic[5]+algebraic[2])/(constants[22]*constants[23]))-exp((algebraic[6]+algebraic[3])/(constants[22]*constants[23]))) algebraic[11] = constants[22]*constants[23]*log(constants[16]*states[7]) algebraic[12] = constants[22]*constants[23]*log(constants[17]*states[8]) algebraic[13] = constants[22]*constants[23]*log(constants[18]*states[9]) algebraic[17] = constants[4]*(exp((algebraic[11]+algebraic[12])/(constants[22]*constants[23]))-exp(algebraic[13]/(constants[22]*constants[23]))) algebraic[14] = constants[22]*constants[23]*log(constants[10]*states[2]) algebraic[18] = constants[5]*(exp(algebraic[13]/(constants[22]*constants[23]))-exp(algebraic[14]/(constants[22]*constants[23]))) algebraic[19] = constants[6]*(exp((algebraic[13]+algebraic[12])/(constants[22]*constants[23]))-exp((algebraic[14]+algebraic[12])/(constants[22]*constants[23]))) algebraic[15] = constants[22]*constants[23]*log(constants[11]*states[0]) algebraic[20] = constants[7]*(exp((algebraic[14]+algebraic[15]*2.00000)/(constants[22]*constants[23]))-exp((algebraic[11]+algebraic[12])/(constants[22]*constants[23]))) algebraic[16] = constants[22]*constants[23]*log(constants[19]*states[10]) algebraic[21] = constants[8]*(exp(algebraic[12]/(constants[22]*constants[23]))-exp(algebraic[16]/(constants[22]*constants[23]))) 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)