# Size of variable arrays: sizeAlgebraic = 29 sizeStates = 7 sizeConstants = 20 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_constants[0] = "C_m in component environment (fF)" legend_states[0] = "q_K_o in component environment (fmol)" legend_states[1] = "q_K_i in component environment (fmol)" legend_states[2] = "q_r0s0_TO in component environment (fmol)" legend_states[3] = "q_r1s0_TO in component environment (fmol)" legend_states[4] = "q_r0s1_TO in component environment (fmol)" legend_states[5] = "q_r1s1_TO in component environment (fmol)" legend_states[6] = "q_mem in component environment (fC)" legend_algebraic[0] = "Vmem in component environment (volt)" legend_constants[1] = "R in component environment (J_per_K_per_mol)" legend_constants[2] = "T in component environment (kelvin)" legend_constants[3] = "F in component environment (C_per_mol)" legend_algebraic[20] = "v_TO in component TO (fmol_per_sec)" legend_algebraic[26] = "I_mem_TO in component TO (fA)" legend_constants[4] = "kappa_TO in component TO_parameters (fmol_per_sec)" legend_constants[5] = "kappa_gTO_1 in component TO_parameters (fmol_per_sec)" legend_constants[6] = "kappa_gTO_2 in component TO_parameters (fmol_per_sec)" legend_constants[7] = "kappa_gTO_3 in component TO_parameters (fmol_per_sec)" legend_constants[8] = "kappa_gTO_4 in component TO_parameters (fmol_per_sec)" legend_constants[9] = "K_K_i in component TO_parameters (per_fmol)" legend_constants[10] = "K_K_o in component TO_parameters (per_fmol)" legend_constants[11] = "K_r0s0_TO in component TO_parameters (per_fmol)" legend_constants[12] = "K_r1s0_TO in component TO_parameters (per_fmol)" legend_constants[13] = "K_r0s1_TO in component TO_parameters (per_fmol)" legend_constants[14] = "K_r1s1_TO in component TO_parameters (per_fmol)" legend_constants[15] = "zK in component TO_parameters (dimensionless)" legend_constants[16] = "z_rTO_f in component TO_parameters (dimensionless)" legend_constants[17] = "z_sTO_f in component TO_parameters (dimensionless)" legend_constants[18] = "z_rTO_r in component TO_parameters (dimensionless)" legend_constants[19] = "z_sTO_r in component TO_parameters (dimensionless)" legend_algebraic[1] = "u_K_i in component TO (J_per_mol)" legend_algebraic[2] = "u_K_o in component TO (J_per_mol)" legend_algebraic[3] = "V_mem in component TO (J_per_C)" legend_algebraic[4] = "Am_TO in component TO (J_per_mol)" legend_algebraic[18] = "Af_TO in component TO (J_per_mol)" legend_algebraic[19] = "Ar_TO in component TO (J_per_mol)" legend_algebraic[16] = "v_r0s0_TO in component TO (fmol_per_sec)" legend_algebraic[27] = "v_r1s0_TO in component TO (fmol_per_sec)" legend_algebraic[25] = "v_r0s1_TO in component TO (fmol_per_sec)" legend_algebraic[28] = "v_r1s1_TO in component TO (fmol_per_sec)" legend_algebraic[11] = "v_gTO_1 in component TO (fmol_per_sec)" legend_algebraic[15] = "v_gTO_3 in component TO (fmol_per_sec)" legend_algebraic[23] = "v_gTO_2 in component TO (fmol_per_sec)" legend_algebraic[24] = "v_gTO_4 in component TO (fmol_per_sec)" legend_algebraic[5] = "mu_r0s0_TO in component TO (J_per_mol)" legend_algebraic[8] = "mu_r1s0_TO in component TO (J_per_mol)" legend_algebraic[12] = "mu_r0s1_TO in component TO (J_per_mol)" legend_algebraic[17] = "mu_r1s1_TO in component TO (J_per_mol)" legend_algebraic[6] = "Af_gTO_1 in component TO (J_per_mol)" legend_algebraic[9] = "Ar_gTO_1 in component TO (J_per_mol)" legend_algebraic[7] = "Af_gTO_3 in component TO (J_per_mol)" legend_algebraic[13] = "Ar_gTO_3 in component TO (J_per_mol)" legend_algebraic[14] = "Af_gTO_2 in component TO (J_per_mol)" legend_algebraic[21] = "Ar_gTO_2 in component TO (J_per_mol)" legend_algebraic[10] = "Af_gTO_4 in component TO (J_per_mol)" legend_algebraic[22] = "Ar_gTO_4 in component TO (J_per_mol)" legend_rates[1] = "d/dt q_K_i in component environment (fmol)" legend_rates[0] = "d/dt q_K_o in component environment (fmol)" legend_rates[6] = "d/dt q_mem in component environment (fC)" legend_rates[2] = "d/dt q_r0s0_TO in component environment (fmol)" legend_rates[3] = "d/dt q_r1s0_TO in component environment (fmol)" legend_rates[4] = "d/dt q_r0s1_TO in component environment (fmol)" legend_rates[5] = "d/dt q_r1s1_TO 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] = 1.0e6 states[0] = 0.116325 states[1] = 3.65002 states[2] = 3.1966124E-07 states[3] = 3.1966124E-07 states[4] = 3.1966124E-07 states[5] = 3.1966124E-07 states[6] = -8.5e4 constants[1] = 8.31 constants[2] = 310 constants[3] = 96500 constants[4] = 1.91513 constants[5] = 10.0063 constants[6] = 0.053573 constants[7] = 0.0622138 constants[8] = 0.0155957 constants[9] = 0.0402291 constants[10] = 0.267055 constants[11] = 0.00553253 constants[12] = 0.0220702 constants[13] = 1.03336 constants[14] = 4.12222 constants[15] = 1 constants[16] = 2.28623234372134 constants[17] = -1.51477720975217 constants[18] = -0.131848324558065 constants[19] = 1.75042355789096 return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic algebraic[3] = states[6]/constants[0] algebraic[5] = constants[1]*constants[2]*log(constants[11]*states[2]) algebraic[6] = algebraic[5]+constants[16]*constants[3]*algebraic[3] algebraic[8] = constants[1]*constants[2]*log(constants[12]*states[3]) algebraic[9] = algebraic[8]+constants[18]*constants[3]*algebraic[3] algebraic[11] = constants[5]*(exp(algebraic[6]/(constants[1]*constants[2]))-exp(algebraic[9]/(constants[1]*constants[2]))) algebraic[7] = algebraic[5]+constants[17]*constants[3]*algebraic[3] algebraic[12] = constants[1]*constants[2]*log(constants[13]*states[4]) algebraic[13] = algebraic[12]+constants[19]*constants[3]*algebraic[3] algebraic[15] = constants[7]*(exp(algebraic[7]/(constants[1]*constants[2]))-exp(algebraic[13]/(constants[1]*constants[2]))) algebraic[16] = -algebraic[11]+algebraic[15] rates[2] = algebraic[16] algebraic[4] = constants[3]*algebraic[3] algebraic[1] = constants[1]*constants[2]*log(constants[9]*states[1]) algebraic[17] = constants[1]*constants[2]*log(constants[14]*states[5]) algebraic[18] = algebraic[17]+algebraic[1]+algebraic[4] algebraic[2] = constants[1]*constants[2]*log(constants[10]*states[0]) algebraic[19] = algebraic[17]+algebraic[2] algebraic[20] = custom_piecewise([equal(algebraic[4] , 0.00000), 1.00000*constants[4]*(exp(algebraic[18]/(constants[1]*constants[2]))-exp(algebraic[19]/(constants[1]*constants[2]))) , True, (((1.00000*constants[4]*algebraic[4])/(constants[1]*constants[2]))/(exp(algebraic[4]/(constants[1]*constants[2]))-1.00000))*(exp(algebraic[18]/(constants[1]*constants[2]))-exp(algebraic[19]/(constants[1]*constants[2])))]) rates[1] = -algebraic[20] rates[0] = algebraic[20] algebraic[14] = algebraic[12]+constants[16]*constants[3]*algebraic[3] algebraic[21] = algebraic[17]+constants[18]*constants[3]*algebraic[3] algebraic[23] = constants[6]*(exp(algebraic[14]/(constants[1]*constants[2]))-exp(algebraic[21]/(constants[1]*constants[2]))) algebraic[25] = -algebraic[23]+algebraic[15] rates[4] = algebraic[25] algebraic[10] = algebraic[8]+constants[17]*constants[3]*algebraic[3] algebraic[22] = algebraic[17]+constants[19]*constants[3]*algebraic[3] algebraic[24] = constants[8]*(exp(algebraic[10]/(constants[1]*constants[2]))-exp(algebraic[22]/(constants[1]*constants[2]))) algebraic[26] = constants[3]*(-constants[15]*algebraic[20]+(algebraic[11]+algebraic[23])*(constants[18]-constants[16])+(algebraic[15]+algebraic[24])*(constants[19]-constants[17])) rates[6] = algebraic[26] algebraic[27] = algebraic[11]-algebraic[24] rates[3] = algebraic[27] algebraic[28] = algebraic[23]+algebraic[24] rates[5] = algebraic[28] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[3] = states[6]/constants[0] algebraic[5] = constants[1]*constants[2]*log(constants[11]*states[2]) algebraic[6] = algebraic[5]+constants[16]*constants[3]*algebraic[3] algebraic[8] = constants[1]*constants[2]*log(constants[12]*states[3]) algebraic[9] = algebraic[8]+constants[18]*constants[3]*algebraic[3] algebraic[11] = constants[5]*(exp(algebraic[6]/(constants[1]*constants[2]))-exp(algebraic[9]/(constants[1]*constants[2]))) algebraic[7] = algebraic[5]+constants[17]*constants[3]*algebraic[3] algebraic[12] = constants[1]*constants[2]*log(constants[13]*states[4]) algebraic[13] = algebraic[12]+constants[19]*constants[3]*algebraic[3] algebraic[15] = constants[7]*(exp(algebraic[7]/(constants[1]*constants[2]))-exp(algebraic[13]/(constants[1]*constants[2]))) algebraic[16] = -algebraic[11]+algebraic[15] algebraic[4] = constants[3]*algebraic[3] algebraic[1] = constants[1]*constants[2]*log(constants[9]*states[1]) algebraic[17] = constants[1]*constants[2]*log(constants[14]*states[5]) algebraic[18] = algebraic[17]+algebraic[1]+algebraic[4] algebraic[2] = constants[1]*constants[2]*log(constants[10]*states[0]) algebraic[19] = algebraic[17]+algebraic[2] algebraic[20] = custom_piecewise([equal(algebraic[4] , 0.00000), 1.00000*constants[4]*(exp(algebraic[18]/(constants[1]*constants[2]))-exp(algebraic[19]/(constants[1]*constants[2]))) , True, (((1.00000*constants[4]*algebraic[4])/(constants[1]*constants[2]))/(exp(algebraic[4]/(constants[1]*constants[2]))-1.00000))*(exp(algebraic[18]/(constants[1]*constants[2]))-exp(algebraic[19]/(constants[1]*constants[2])))]) algebraic[14] = algebraic[12]+constants[16]*constants[3]*algebraic[3] algebraic[21] = algebraic[17]+constants[18]*constants[3]*algebraic[3] algebraic[23] = constants[6]*(exp(algebraic[14]/(constants[1]*constants[2]))-exp(algebraic[21]/(constants[1]*constants[2]))) algebraic[25] = -algebraic[23]+algebraic[15] algebraic[10] = algebraic[8]+constants[17]*constants[3]*algebraic[3] algebraic[22] = algebraic[17]+constants[19]*constants[3]*algebraic[3] algebraic[24] = constants[8]*(exp(algebraic[10]/(constants[1]*constants[2]))-exp(algebraic[22]/(constants[1]*constants[2]))) algebraic[26] = constants[3]*(-constants[15]*algebraic[20]+(algebraic[11]+algebraic[23])*(constants[18]-constants[16])+(algebraic[15]+algebraic[24])*(constants[19]-constants[17])) algebraic[27] = algebraic[11]-algebraic[24] algebraic[28] = algebraic[23]+algebraic[24] algebraic[0] = states[6]/constants[0] return algebraic def custom_piecewise(cases): """Compute result of a piecewise function""" return select(cases[0::2],cases[1::2]) 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)