# Size of variable arrays: sizeAlgebraic = 48 sizeStates = 9 sizeConstants = 58 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_Nai in component params_BG (per_fmol)" legend_constants[45] = "q_Nai in component params_BG (fmol)" legend_constants[4] = "K_Nao in component params_BG (per_fmol)" legend_constants[47] = "q_Nao in component params_BG (fmol)" legend_constants[5] = "K_Cli in component params_BG (per_fmol)" legend_constants[49] = "q_Cli in component params_BG (fmol)" legend_constants[6] = "K_Clo in component params_BG (per_fmol)" legend_constants[51] = "q_Clo in component params_BG (fmol)" legend_constants[7] = "K_HCO3i in component params_BG (per_fmol)" legend_constants[53] = "q_HCO3i in component params_BG (fmol)" legend_constants[8] = "K_HCO3o in component params_BG (per_fmol)" legend_constants[55] = "q_HCO3o in component params_BG (fmol)" legend_constants[9] = "K_1 in component params_BG (per_fmol)" legend_constants[10] = "q_init_1 in component params_BG (fmol)" legend_constants[11] = "K_2 in component params_BG (per_fmol)" legend_constants[12] = "q_init_2 in component params_BG (fmol)" legend_constants[13] = "K_3 in component params_BG (per_fmol)" legend_constants[14] = "q_init_3 in component params_BG (fmol)" legend_constants[15] = "K_4 in component params_BG (per_fmol)" legend_constants[16] = "q_init_4 in component params_BG (fmol)" legend_constants[17] = "K_5 in component params_BG (per_fmol)" legend_constants[18] = "q_init_5 in component params_BG (fmol)" legend_constants[19] = "K_6 in component params_BG (per_fmol)" legend_constants[20] = "q_init_6 in component params_BG (fmol)" legend_constants[21] = "K_7 in component params_BG (per_fmol)" legend_constants[22] = "q_init_7 in component params_BG (fmol)" legend_constants[23] = "K_8 in component params_BG (per_fmol)" legend_constants[24] = "q_init_8 in component params_BG (fmol)" legend_constants[25] = "kappa_r1 in component params_BG (fmol_per_s)" legend_constants[26] = "kappa_r2 in component params_BG (fmol_per_s)" legend_constants[27] = "kappa_r3 in component params_BG (fmol_per_s)" legend_constants[28] = "kappa_r4 in component params_BG (fmol_per_s)" legend_constants[29] = "kappa_r5 in component params_BG (fmol_per_s)" legend_constants[30] = "kappa_r6 in component params_BG (fmol_per_s)" legend_constants[31] = "kappa_r7 in component params_BG (fmol_per_s)" legend_constants[32] = "kappa_r8 in component params_BG (fmol_per_s)" legend_constants[33] = "kappa_r9 in component params_BG (fmol_per_s)" legend_constants[34] = "kappa_r10 in component params_BG (fmol_per_s)" legend_constants[46] = "mu_Nai in component BG_NDCBE (J_per_mol)" legend_constants[48] = "mu_Nao in component BG_NDCBE (J_per_mol)" legend_constants[50] = "mu_Cli in component BG_NDCBE (J_per_mol)" legend_constants[52] = "mu_Clo in component BG_NDCBE (J_per_mol)" legend_constants[54] = "mu_HCO3i in component BG_NDCBE (J_per_mol)" legend_constants[56] = "mu_HCO3o in component BG_NDCBE (J_per_mol)" legend_algebraic[0] = "mu_1 in component BG_NDCBE (J_per_mol)" legend_algebraic[46] = "v_1 in component BG_NDCBE (fmol_per_s)" legend_algebraic[2] = "mu_2 in component BG_NDCBE (J_per_mol)" legend_algebraic[40] = "v_2 in component BG_NDCBE (fmol_per_s)" legend_algebraic[4] = "mu_3 in component BG_NDCBE (J_per_mol)" legend_algebraic[33] = "v_3 in component BG_NDCBE (fmol_per_s)" legend_algebraic[5] = "mu_4 in component BG_NDCBE (J_per_mol)" legend_algebraic[36] = "v_4 in component BG_NDCBE (fmol_per_s)" legend_algebraic[6] = "mu_5 in component BG_NDCBE (J_per_mol)" legend_algebraic[41] = "v_5 in component BG_NDCBE (fmol_per_s)" legend_algebraic[7] = "mu_6 in component BG_NDCBE (J_per_mol)" legend_algebraic[47] = "v_6 in component BG_NDCBE (fmol_per_s)" legend_algebraic[8] = "mu_7 in component BG_NDCBE (J_per_mol)" legend_algebraic[43] = "v_7 in component BG_NDCBE (fmol_per_s)" legend_algebraic[9] = "mu_8 in component BG_NDCBE (J_per_mol)" legend_algebraic[45] = "v_8 in component BG_NDCBE (fmol_per_s)" legend_algebraic[3] = "V_Vm in component BG_NDCBE (volt)" legend_algebraic[1] = "V0_Vm in component params_BG (volt)" legend_algebraic[10] = "A_f_r1 in component BG_NDCBE (J_per_mol)" legend_algebraic[30] = "v_r1 in component BG_NDCBE (fmol_per_s)" legend_algebraic[11] = "A_r_r1 in component BG_NDCBE (J_per_mol)" legend_algebraic[12] = "A_f_r2 in component BG_NDCBE (J_per_mol)" legend_algebraic[31] = "v_r2 in component BG_NDCBE (fmol_per_s)" legend_algebraic[13] = "A_r_r2 in component BG_NDCBE (J_per_mol)" legend_algebraic[14] = "A_f_r3 in component BG_NDCBE (J_per_mol)" legend_algebraic[32] = "v_r3 in component BG_NDCBE (fmol_per_s)" legend_algebraic[15] = "A_r_r3 in component BG_NDCBE (J_per_mol)" legend_algebraic[16] = "A_f_r4 in component BG_NDCBE (J_per_mol)" legend_algebraic[34] = "v_r4 in component BG_NDCBE (fmol_per_s)" legend_algebraic[17] = "A_r_r4 in component BG_NDCBE (J_per_mol)" legend_algebraic[18] = "A_f_r5 in component BG_NDCBE (J_per_mol)" legend_algebraic[35] = "v_r5 in component BG_NDCBE (fmol_per_s)" legend_algebraic[19] = "A_r_r5 in component BG_NDCBE (J_per_mol)" legend_algebraic[20] = "A_f_r6 in component BG_NDCBE (J_per_mol)" legend_algebraic[37] = "v_r6 in component BG_NDCBE (fmol_per_s)" legend_algebraic[21] = "A_r_r6 in component BG_NDCBE (J_per_mol)" legend_algebraic[22] = "A_f_r7 in component BG_NDCBE (J_per_mol)" legend_algebraic[39] = "v_r7 in component BG_NDCBE (fmol_per_s)" legend_algebraic[23] = "A_r_r7 in component BG_NDCBE (J_per_mol)" legend_algebraic[24] = "A_f_r8 in component BG_NDCBE (J_per_mol)" legend_algebraic[42] = "v_r8 in component BG_NDCBE (fmol_per_s)" legend_algebraic[25] = "A_r_r8 in component BG_NDCBE (J_per_mol)" legend_algebraic[26] = "A_f_r9 in component BG_NDCBE (J_per_mol)" legend_algebraic[44] = "v_r9 in component BG_NDCBE (fmol_per_s)" legend_algebraic[27] = "A_r_r9 in component BG_NDCBE (J_per_mol)" legend_algebraic[28] = "A_f_r10 in component BG_NDCBE (J_per_mol)" legend_algebraic[38] = "v_r10 in component BG_NDCBE (fmol_per_s)" legend_algebraic[29] = "A_r_r10 in component BG_NDCBE (J_per_mol)" legend_states[0] = "q_1 in component BG_NDCBE (fmol)" legend_states[1] = "q_2 in component BG_NDCBE (fmol)" legend_states[2] = "q_3 in component BG_NDCBE (fmol)" legend_states[3] = "q_4 in component BG_NDCBE (fmol)" legend_states[4] = "q_5 in component BG_NDCBE (fmol)" legend_states[5] = "q_6 in component BG_NDCBE (fmol)" legend_states[6] = "q_7 in component BG_NDCBE (fmol)" legend_states[7] = "q_8 in component BG_NDCBE (fmol)" legend_constants[35] = "nHCO3 in component BG_NDCBE (dimensionless)" legend_constants[36] = "Nai in component params_BG (mM)" legend_constants[37] = "Nao in component params_BG (mM)" legend_constants[38] = "Cli in component params_BG (mM)" legend_constants[39] = "Clo in component params_BG (mM)" legend_constants[40] = "HCO3i in component params_BG (mM)" legend_constants[41] = "HCO3o in component params_BG (mM)" legend_constants[42] = "V_i in component params_BG (pL)" legend_constants[43] = "V_o in component params_BG (pL)" legend_states[8] = "V_E in component params_BG (volt)" legend_constants[44] = "dt in component params_BG (second)" legend_rates[0] = "d/dt q_1 in component BG_NDCBE (fmol)" legend_rates[1] = "d/dt q_2 in component BG_NDCBE (fmol)" legend_rates[2] = "d/dt q_3 in component BG_NDCBE (fmol)" legend_rates[3] = "d/dt q_4 in component BG_NDCBE (fmol)" legend_rates[4] = "d/dt q_5 in component BG_NDCBE (fmol)" legend_rates[5] = "d/dt q_6 in component BG_NDCBE (fmol)" legend_rates[6] = "d/dt q_7 in component BG_NDCBE (fmol)" legend_rates[7] = "d/dt q_8 in component BG_NDCBE (fmol)" legend_rates[8] = "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-08 constants[6] = 1e-08 constants[7] = 1e-06 constants[8] = 1e-06 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] = 1 constants[32] = 1 constants[33] = 1 constants[34] = 1 constants[35] = 2 constants[36] = 20 constants[37] = 100 constants[38] = 20 constants[39] = 100 constants[40] = 10e-3 constants[41] = 1e-12 constants[42] = 8.5e5 constants[43] = 8.5e5 states[8] = -0.05 constants[44] = 1e-3 constants[45] = constants[36]*constants[42] constants[57] = 0.00000 constants[46] = constants[0]*constants[1]*log(constants[3]*constants[45]) constants[47] = constants[37]*constants[43] constants[48] = constants[0]*constants[1]*log(constants[4]*constants[47]) constants[49] = constants[38]*constants[42] constants[50] = constants[0]*constants[1]*log(constants[5]*constants[49]) constants[51] = constants[39]*constants[43] constants[52] = constants[0]*constants[1]*log(constants[6]*constants[51]) constants[53] = constants[40]*constants[42] constants[54] = constants[0]*constants[1]*log(constants[7]*constants[53]) constants[55] = constants[41]*constants[43] constants[56] = constants[0]*constants[1]*log(constants[8]*constants[55]) states[0] = constants[10] states[1] = constants[12] states[2] = constants[14] states[3] = constants[16] states[4] = constants[18] states[5] = constants[20] states[6] = constants[20] states[7] = constants[20] return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic rates[8] = constants[57] algebraic[2] = constants[0]*constants[1]*log(constants[11]*states[1]) algebraic[12] = constants[35]*constants[56]+algebraic[2] algebraic[4] = constants[0]*constants[1]*log(constants[13]*states[2]) algebraic[13] = algebraic[4] algebraic[31] = constants[26]*(exp(algebraic[12]/(constants[0]*constants[1]))-exp(algebraic[13]/(constants[0]*constants[1]))) algebraic[14] = algebraic[4] algebraic[5] = constants[0]*constants[1]*log(constants[15]*states[3]) algebraic[15] = algebraic[5] algebraic[32] = constants[27]*(exp(algebraic[14]/(constants[0]*constants[1]))-exp(algebraic[15]/(constants[0]*constants[1]))) algebraic[33] = algebraic[31]-algebraic[32] rates[2] = algebraic[33] algebraic[16] = algebraic[5] algebraic[6] = constants[0]*constants[1]*log(constants[17]*states[4]) algebraic[17] = algebraic[6]+constants[35]*constants[54] algebraic[34] = constants[28]*(exp(algebraic[16]/(constants[0]*constants[1]))-exp(algebraic[17]/(constants[0]*constants[1]))) algebraic[36] = algebraic[32]-algebraic[34] rates[3] = algebraic[36] algebraic[0] = constants[0]*constants[1]*log(constants[9]*states[0]) algebraic[10] = constants[48]+algebraic[0] algebraic[11] = algebraic[2] algebraic[30] = constants[25]*(exp(algebraic[10]/(constants[0]*constants[1]))-exp(algebraic[11]/(constants[0]*constants[1]))) algebraic[28] = algebraic[2] algebraic[29] = algebraic[6] algebraic[38] = constants[34]*(exp(algebraic[28]/(constants[0]*constants[1]))-exp(algebraic[29]/(constants[0]*constants[1]))) algebraic[40] = (algebraic[30]-algebraic[31])-algebraic[38] rates[1] = algebraic[40] algebraic[18] = algebraic[6] algebraic[7] = constants[0]*constants[1]*log(constants[19]*states[5]) algebraic[19] = constants[46]+algebraic[7] algebraic[35] = constants[29]*(exp(algebraic[18]/(constants[0]*constants[1]))-exp(algebraic[19]/(constants[0]*constants[1]))) algebraic[41] = (algebraic[34]+algebraic[38])-algebraic[35] rates[4] = algebraic[41] algebraic[20] = constants[50]+algebraic[7] algebraic[8] = constants[0]*constants[1]*log(constants[21]*states[6]) algebraic[21] = algebraic[8] algebraic[37] = constants[30]*(exp(algebraic[20]/(constants[0]*constants[1]))-exp(algebraic[21]/(constants[0]*constants[1]))) algebraic[22] = algebraic[8] algebraic[9] = constants[0]*constants[1]*log(constants[23]*states[7]) algebraic[23] = algebraic[9] algebraic[39] = constants[31]*(exp(algebraic[22]/(constants[0]*constants[1]))-exp(algebraic[23]/(constants[0]*constants[1]))) algebraic[43] = algebraic[37]-algebraic[39] rates[6] = algebraic[43] algebraic[24] = algebraic[9] algebraic[25] = constants[52]+algebraic[0] algebraic[42] = constants[32]*(exp(algebraic[24]/(constants[0]*constants[1]))-exp(algebraic[25]/(constants[0]*constants[1]))) algebraic[45] = algebraic[39]-algebraic[42] rates[7] = algebraic[45] algebraic[26] = algebraic[0] algebraic[27] = algebraic[7] algebraic[44] = constants[33]*(exp(algebraic[26]/(constants[0]*constants[1]))-exp(algebraic[27]/(constants[0]*constants[1]))) algebraic[46] = (algebraic[42]-algebraic[30])-algebraic[44] rates[0] = algebraic[46] algebraic[47] = (algebraic[35]+algebraic[44])-algebraic[37] rates[5] = algebraic[47] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[2] = constants[0]*constants[1]*log(constants[11]*states[1]) algebraic[12] = constants[35]*constants[56]+algebraic[2] algebraic[4] = constants[0]*constants[1]*log(constants[13]*states[2]) algebraic[13] = algebraic[4] algebraic[31] = constants[26]*(exp(algebraic[12]/(constants[0]*constants[1]))-exp(algebraic[13]/(constants[0]*constants[1]))) algebraic[14] = algebraic[4] algebraic[5] = constants[0]*constants[1]*log(constants[15]*states[3]) algebraic[15] = algebraic[5] algebraic[32] = constants[27]*(exp(algebraic[14]/(constants[0]*constants[1]))-exp(algebraic[15]/(constants[0]*constants[1]))) algebraic[33] = algebraic[31]-algebraic[32] algebraic[16] = algebraic[5] algebraic[6] = constants[0]*constants[1]*log(constants[17]*states[4]) algebraic[17] = algebraic[6]+constants[35]*constants[54] algebraic[34] = constants[28]*(exp(algebraic[16]/(constants[0]*constants[1]))-exp(algebraic[17]/(constants[0]*constants[1]))) algebraic[36] = algebraic[32]-algebraic[34] algebraic[0] = constants[0]*constants[1]*log(constants[9]*states[0]) algebraic[10] = constants[48]+algebraic[0] algebraic[11] = algebraic[2] algebraic[30] = constants[25]*(exp(algebraic[10]/(constants[0]*constants[1]))-exp(algebraic[11]/(constants[0]*constants[1]))) algebraic[28] = algebraic[2] algebraic[29] = algebraic[6] algebraic[38] = constants[34]*(exp(algebraic[28]/(constants[0]*constants[1]))-exp(algebraic[29]/(constants[0]*constants[1]))) algebraic[40] = (algebraic[30]-algebraic[31])-algebraic[38] algebraic[18] = algebraic[6] algebraic[7] = constants[0]*constants[1]*log(constants[19]*states[5]) algebraic[19] = constants[46]+algebraic[7] algebraic[35] = constants[29]*(exp(algebraic[18]/(constants[0]*constants[1]))-exp(algebraic[19]/(constants[0]*constants[1]))) algebraic[41] = (algebraic[34]+algebraic[38])-algebraic[35] algebraic[20] = constants[50]+algebraic[7] algebraic[8] = constants[0]*constants[1]*log(constants[21]*states[6]) algebraic[21] = algebraic[8] algebraic[37] = constants[30]*(exp(algebraic[20]/(constants[0]*constants[1]))-exp(algebraic[21]/(constants[0]*constants[1]))) algebraic[22] = algebraic[8] algebraic[9] = constants[0]*constants[1]*log(constants[23]*states[7]) algebraic[23] = algebraic[9] algebraic[39] = constants[31]*(exp(algebraic[22]/(constants[0]*constants[1]))-exp(algebraic[23]/(constants[0]*constants[1]))) algebraic[43] = algebraic[37]-algebraic[39] algebraic[24] = algebraic[9] algebraic[25] = constants[52]+algebraic[0] algebraic[42] = constants[32]*(exp(algebraic[24]/(constants[0]*constants[1]))-exp(algebraic[25]/(constants[0]*constants[1]))) algebraic[45] = algebraic[39]-algebraic[42] algebraic[26] = algebraic[0] algebraic[27] = algebraic[7] algebraic[44] = constants[33]*(exp(algebraic[26]/(constants[0]*constants[1]))-exp(algebraic[27]/(constants[0]*constants[1]))) algebraic[46] = (algebraic[42]-algebraic[30])-algebraic[44] algebraic[47] = (algebraic[35]+algebraic[44])-algebraic[37] algebraic[1] = states[8] 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)