# Size of variable arrays: sizeAlgebraic = 35 sizeStates = 7 sizeConstants = 47 from math import * from numpy import * def createLegends(): legend_states = [""] * sizeStates legend_rates = [""] * sizeStates legend_algebraic = [""] * sizeAlgebraic legend_voi = "" legend_constants = [""] * sizeConstants legend_voi = "t in component params_BG (second)" legend_constants[0] = "R in component params_BG (J_per_K_mol)" legend_constants[1] = "T in component params_BG (kelvin)" legend_constants[2] = "F in component params_BG (C_per_mol)" legend_constants[3] = "K_Cli in component params_BG (per_fmol)" legend_constants[38] = "q_Cli in component params_BG (fmol)" legend_constants[4] = "K_Clo in component params_BG (per_fmol)" legend_constants[40] = "q_Clo in component params_BG (fmol)" legend_constants[5] = "K_HCO3i in component params_BG (per_fmol)" legend_constants[42] = "q_HCO3i in component params_BG (fmol)" legend_constants[6] = "K_HCO3o in component params_BG (per_fmol)" legend_constants[44] = "q_HCO3o in component params_BG (fmol)" legend_constants[7] = "K_1 in component params_BG (per_fmol)" legend_constants[8] = "q_init_1 in component params_BG (fmol)" legend_constants[9] = "K_2 in component params_BG (per_fmol)" legend_constants[10] = "q_init_2 in component params_BG (fmol)" legend_constants[11] = "K_3 in component params_BG (per_fmol)" legend_constants[12] = "q_init_3 in component params_BG (fmol)" legend_constants[13] = "K_4 in component params_BG (per_fmol)" legend_constants[14] = "q_init_4 in component params_BG (fmol)" legend_constants[15] = "K_5 in component params_BG (per_fmol)" legend_constants[16] = "q_init_5 in component params_BG (fmol)" legend_constants[17] = "K_6 in component params_BG (per_fmol)" legend_constants[18] = "q_init_6 in component params_BG (fmol)" legend_constants[19] = "kappa_r1 in component params_BG (fmol_per_s)" legend_constants[20] = "kappa_r2 in component params_BG (fmol_per_s)" legend_constants[21] = "kappa_r3 in component params_BG (fmol_per_s)" legend_constants[22] = "kappa_r4 in component params_BG (fmol_per_s)" legend_constants[23] = "kappa_r5 in component params_BG (fmol_per_s)" legend_constants[24] = "kappa_r6 in component params_BG (fmol_per_s)" legend_constants[25] = "kappa_r7 in component params_BG (fmol_per_s)" legend_constants[39] = "mu_Cli in component BG_AE3 (J_per_mol)" legend_constants[41] = "mu_Clo in component BG_AE3 (J_per_mol)" legend_constants[43] = "mu_HCO3i in component BG_AE3 (J_per_mol)" legend_constants[45] = "mu_HCO3o in component BG_AE3 (J_per_mol)" legend_algebraic[0] = "mu_1 in component BG_AE3 (J_per_mol)" legend_algebraic[33] = "v_1 in component BG_AE3 (fmol_per_s)" legend_algebraic[2] = "mu_2 in component BG_AE3 (J_per_mol)" legend_algebraic[24] = "v_2 in component BG_AE3 (fmol_per_s)" legend_algebraic[4] = "mu_3 in component BG_AE3 (J_per_mol)" legend_algebraic[27] = "v_3 in component BG_AE3 (fmol_per_s)" legend_algebraic[5] = "mu_4 in component BG_AE3 (J_per_mol)" legend_algebraic[34] = "v_4 in component BG_AE3 (fmol_per_s)" legend_algebraic[6] = "mu_5 in component BG_AE3 (J_per_mol)" legend_algebraic[30] = "v_5 in component BG_AE3 (fmol_per_s)" legend_algebraic[7] = "mu_6 in component BG_AE3 (J_per_mol)" legend_algebraic[32] = "v_6 in component BG_AE3 (fmol_per_s)" legend_algebraic[3] = "V_Vm in component BG_AE3 (volt)" legend_algebraic[1] = "V0_Vm in component params_BG (volt)" legend_algebraic[8] = "A_f_r1 in component BG_AE3 (J_per_mol)" legend_algebraic[22] = "v_r1 in component BG_AE3 (fmol_per_s)" legend_algebraic[9] = "A_r_r1 in component BG_AE3 (J_per_mol)" legend_algebraic[10] = "A_f_r2 in component BG_AE3 (J_per_mol)" legend_algebraic[23] = "v_r2 in component BG_AE3 (fmol_per_s)" legend_algebraic[11] = "A_r_r2 in component BG_AE3 (J_per_mol)" legend_algebraic[12] = "A_f_r3 in component BG_AE3 (J_per_mol)" legend_algebraic[25] = "v_r3 in component BG_AE3 (fmol_per_s)" legend_algebraic[13] = "A_r_r3 in component BG_AE3 (J_per_mol)" legend_algebraic[14] = "A_f_r4 in component BG_AE3 (J_per_mol)" legend_algebraic[26] = "v_r4 in component BG_AE3 (fmol_per_s)" legend_algebraic[15] = "A_r_r4 in component BG_AE3 (J_per_mol)" legend_algebraic[16] = "A_f_r5 in component BG_AE3 (J_per_mol)" legend_algebraic[28] = "v_r5 in component BG_AE3 (fmol_per_s)" legend_algebraic[17] = "A_r_r5 in component BG_AE3 (J_per_mol)" legend_algebraic[18] = "A_f_r6 in component BG_AE3 (J_per_mol)" legend_algebraic[29] = "v_r6 in component BG_AE3 (fmol_per_s)" legend_algebraic[19] = "A_r_r6 in component BG_AE3 (J_per_mol)" legend_algebraic[20] = "A_f_r7 in component BG_AE3 (J_per_mol)" legend_algebraic[31] = "v_r7 in component BG_AE3 (fmol_per_s)" legend_algebraic[21] = "A_r_r7 in component BG_AE3 (J_per_mol)" legend_states[0] = "q_1 in component BG_AE3 (fmol)" legend_states[1] = "q_2 in component BG_AE3 (fmol)" legend_states[2] = "q_3 in component BG_AE3 (fmol)" legend_states[3] = "q_4 in component BG_AE3 (fmol)" legend_states[4] = "q_5 in component BG_AE3 (fmol)" legend_states[5] = "q_6 in component BG_AE3 (fmol)" legend_constants[26] = "nCl in component BG_AE3 (dimensionless)" legend_constants[27] = "z_zf1 in component params_BG (dimensionless)" legend_constants[28] = "z_zr1 in component params_BG (dimensionless)" legend_constants[29] = "z_zf2 in component params_BG (dimensionless)" legend_constants[30] = "z_zr2 in component params_BG (dimensionless)" legend_constants[31] = "Cli in component params_BG (mM)" legend_constants[32] = "Clo in component params_BG (mM)" legend_constants[33] = "HCO3i in component params_BG (mM)" legend_constants[34] = "HCO3o in component params_BG (mM)" legend_constants[35] = "V_i in component params_BG (pL)" legend_constants[36] = "V_o in component params_BG (pL)" legend_states[6] = "V_E in component params_BG (volt)" legend_constants[37] = "dt in component params_BG (second)" legend_rates[0] = "d/dt q_1 in component BG_AE3 (fmol)" legend_rates[1] = "d/dt q_2 in component BG_AE3 (fmol)" legend_rates[2] = "d/dt q_3 in component BG_AE3 (fmol)" legend_rates[3] = "d/dt q_4 in component BG_AE3 (fmol)" legend_rates[4] = "d/dt q_5 in component BG_AE3 (fmol)" legend_rates[5] = "d/dt q_6 in component BG_AE3 (fmol)" legend_rates[6] = "d/dt V_E in component params_BG (volt)" return (legend_states, legend_algebraic, legend_voi, legend_constants) def initConsts(): constants = [0.0] * sizeConstants; states = [0.0] * sizeStates; constants[0] = 8.31 constants[1] = 293 constants[2] = 96485 constants[3] = 1e-08 constants[4] = 1e-08 constants[5] = 1e-06 constants[6] = 1e-06 constants[7] = 1 constants[8] = 1 constants[9] = 1 constants[10] = 1 constants[11] = 1 constants[12] = 1 constants[13] = 1 constants[14] = 1 constants[15] = 1 constants[16] = 1 constants[17] = 1 constants[18] = 1 constants[19] = 1 constants[20] = 1 constants[21] = 1 constants[22] = 1 constants[23] = 1 constants[24] = 1 constants[25] = 1 constants[26] = 1 constants[27] = 1 constants[28] = 1 constants[29] = 1 constants[30] = 1 constants[31] = 20 constants[32] = 100 constants[33] = 10e-3 constants[34] = 1e-12 constants[35] = 8.5e5 constants[36] = 8.5e5 states[6] = -0.05 constants[37] = 1e-3 constants[38] = constants[31]*constants[35] constants[46] = 0.00000 constants[39] = constants[0]*constants[1]*log(constants[3]*constants[38]) constants[40] = constants[32]*constants[36] constants[41] = constants[0]*constants[1]*log(constants[4]*constants[40]) constants[42] = constants[33]*constants[35] constants[43] = constants[0]*constants[1]*log(constants[5]*constants[42]) constants[44] = constants[34]*constants[36] constants[45] = constants[0]*constants[1]*log(constants[6]*constants[44]) states[0] = constants[8] states[1] = constants[10] states[2] = constants[12] states[3] = constants[14] states[4] = constants[16] states[5] = constants[18] return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic rates[6] = constants[46] algebraic[0] = constants[0]*constants[1]*log(constants[7]*states[0]) algebraic[8] = constants[26]*constants[41]+algebraic[0] algebraic[2] = constants[0]*constants[1]*log(constants[9]*states[1]) algebraic[9] = algebraic[2] algebraic[22] = constants[19]*(exp(algebraic[8]/(constants[0]*constants[1]))-exp(algebraic[9]/(constants[0]*constants[1]))) algebraic[10] = algebraic[2] algebraic[4] = constants[0]*constants[1]*log(constants[11]*states[2]) algebraic[11] = algebraic[4] algebraic[23] = constants[20]*(exp(algebraic[10]/(constants[0]*constants[1]))-exp(algebraic[11]/(constants[0]*constants[1]))) algebraic[24] = algebraic[22]-algebraic[23] rates[1] = algebraic[24] algebraic[12] = algebraic[4] algebraic[5] = constants[0]*constants[1]*log(constants[13]*states[3]) algebraic[13] = algebraic[5]+constants[26]*constants[39] algebraic[25] = constants[21]*(exp(algebraic[12]/(constants[0]*constants[1]))-exp(algebraic[13]/(constants[0]*constants[1]))) algebraic[27] = algebraic[23]-algebraic[25] rates[2] = algebraic[27] algebraic[14] = algebraic[5]+constants[43] algebraic[6] = constants[0]*constants[1]*log(constants[15]*states[4]) algebraic[15] = algebraic[6] algebraic[26] = constants[22]*(exp(algebraic[14]/(constants[0]*constants[1]))-exp(algebraic[15]/(constants[0]*constants[1]))) algebraic[16] = algebraic[6] algebraic[7] = constants[0]*constants[1]*log(constants[17]*states[5]) algebraic[17] = algebraic[7] algebraic[28] = constants[23]*(exp(algebraic[16]/(constants[0]*constants[1]))-exp(algebraic[17]/(constants[0]*constants[1]))) algebraic[30] = algebraic[26]-algebraic[28] rates[4] = algebraic[30] algebraic[18] = algebraic[7] algebraic[19] = algebraic[0]+constants[45] algebraic[29] = constants[24]*(exp(algebraic[18]/(constants[0]*constants[1]))-exp(algebraic[19]/(constants[0]*constants[1]))) algebraic[32] = algebraic[28]-algebraic[29] rates[5] = algebraic[32] algebraic[20] = algebraic[0] algebraic[21] = algebraic[5] algebraic[31] = constants[25]*(exp(algebraic[20]/(constants[0]*constants[1]))-exp(algebraic[21]/(constants[0]*constants[1]))) algebraic[33] = (algebraic[29]-algebraic[22])-algebraic[31] rates[0] = algebraic[33] algebraic[34] = (algebraic[25]+algebraic[31])-algebraic[26] rates[3] = algebraic[34] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[0] = constants[0]*constants[1]*log(constants[7]*states[0]) algebraic[8] = constants[26]*constants[41]+algebraic[0] algebraic[2] = constants[0]*constants[1]*log(constants[9]*states[1]) algebraic[9] = algebraic[2] algebraic[22] = constants[19]*(exp(algebraic[8]/(constants[0]*constants[1]))-exp(algebraic[9]/(constants[0]*constants[1]))) algebraic[10] = algebraic[2] algebraic[4] = constants[0]*constants[1]*log(constants[11]*states[2]) algebraic[11] = algebraic[4] algebraic[23] = constants[20]*(exp(algebraic[10]/(constants[0]*constants[1]))-exp(algebraic[11]/(constants[0]*constants[1]))) algebraic[24] = algebraic[22]-algebraic[23] algebraic[12] = algebraic[4] algebraic[5] = constants[0]*constants[1]*log(constants[13]*states[3]) algebraic[13] = algebraic[5]+constants[26]*constants[39] algebraic[25] = constants[21]*(exp(algebraic[12]/(constants[0]*constants[1]))-exp(algebraic[13]/(constants[0]*constants[1]))) algebraic[27] = algebraic[23]-algebraic[25] algebraic[14] = algebraic[5]+constants[43] algebraic[6] = constants[0]*constants[1]*log(constants[15]*states[4]) algebraic[15] = algebraic[6] algebraic[26] = constants[22]*(exp(algebraic[14]/(constants[0]*constants[1]))-exp(algebraic[15]/(constants[0]*constants[1]))) algebraic[16] = algebraic[6] algebraic[7] = constants[0]*constants[1]*log(constants[17]*states[5]) algebraic[17] = algebraic[7] algebraic[28] = constants[23]*(exp(algebraic[16]/(constants[0]*constants[1]))-exp(algebraic[17]/(constants[0]*constants[1]))) algebraic[30] = algebraic[26]-algebraic[28] algebraic[18] = algebraic[7] algebraic[19] = algebraic[0]+constants[45] algebraic[29] = constants[24]*(exp(algebraic[18]/(constants[0]*constants[1]))-exp(algebraic[19]/(constants[0]*constants[1]))) algebraic[32] = algebraic[28]-algebraic[29] algebraic[20] = algebraic[0] algebraic[21] = algebraic[5] algebraic[31] = constants[25]*(exp(algebraic[20]/(constants[0]*constants[1]))-exp(algebraic[21]/(constants[0]*constants[1]))) algebraic[33] = (algebraic[29]-algebraic[22])-algebraic[31] algebraic[34] = (algebraic[25]+algebraic[31])-algebraic[26] algebraic[1] = states[6] algebraic[3] = algebraic[1] 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)