# Size of variable arrays: sizeAlgebraic = 22 sizeStates = 6 sizeConstants = 15 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 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_S_Ks0 in component environment (fmol)" legend_states[3] = "q_S_Ks1 in component environment (fmol)" legend_states[4] = "q_S_Ks2 in component environment (fmol)" legend_states[5] = "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[15] = "v_Ks in component Ks (fmol_per_sec)" legend_algebraic[19] = "I_mem_Ks in component Ks (fA)" legend_algebraic[17] = "i_Ks in component environment (uA_per_uF)" legend_constants[4] = "kappa_Ks in component Ks_parameters (fmol_per_sec)" legend_constants[5] = "kappa_xs1 in component Ks_parameters (fmol_per_sec)" legend_constants[6] = "kappa_xs2 in component Ks_parameters (fmol_per_sec)" legend_constants[7] = "K_K_i in component Ks_parameters (per_fmol)" legend_constants[8] = "K_K_o in component Ks_parameters (per_fmol)" legend_constants[9] = "K_S_Ks0 in component Ks_parameters (per_fmol)" legend_constants[10] = "K_S_Ks1 in component Ks_parameters (per_fmol)" legend_constants[11] = "K_S_Ks2 in component Ks_parameters (per_fmol)" legend_constants[12] = "zK in component Ks_parameters (dimensionless)" legend_constants[13] = "z_xs_f in component Ks_parameters (dimensionless)" legend_constants[14] = "z_xs_r in component Ks_parameters (dimensionless)" legend_algebraic[1] = "u_K_i in component Ks (J_per_mol)" legend_algebraic[2] = "u_K_o in component Ks (J_per_mol)" legend_algebraic[3] = "V_mem in component Ks (J_per_C)" legend_algebraic[4] = "Am_Ks in component Ks (J_per_mol)" legend_algebraic[13] = "Af_Ks in component Ks (J_per_mol)" legend_algebraic[14] = "Ar_Ks in component Ks (J_per_mol)" legend_algebraic[11] = "v_S_Ks0 in component Ks (fmol_per_sec)" legend_algebraic[20] = "v_S_Ks1 in component Ks (fmol_per_sec)" legend_algebraic[21] = "v_S_Ks2 in component Ks (fmol_per_sec)" legend_algebraic[10] = "v_xs1 in component Ks (fmol_per_sec)" legend_algebraic[18] = "v_xs2 in component Ks (fmol_per_sec)" legend_algebraic[5] = "mu_S_Ks0 in component Ks (J_per_mol)" legend_algebraic[7] = "mu_S_Ks1 in component Ks (J_per_mol)" legend_algebraic[12] = "mu_S_Ks2 in component Ks (J_per_mol)" legend_algebraic[6] = "Af_xs1 in component Ks (J_per_mol)" legend_algebraic[8] = "Ar_xs1 in component Ks (J_per_mol)" legend_algebraic[9] = "Af_xs2 in component Ks (J_per_mol)" legend_algebraic[16] = "Ar_xs2 in component Ks (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[5] = "d/dt q_mem in component environment (fC)" legend_rates[2] = "d/dt q_S_Ks0 in component environment (fmol)" legend_rates[3] = "d/dt q_S_Ks1 in component environment (fmol)" legend_rates[4] = "d/dt q_S_Ks2 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] = 153400 states[0] = 27.9828 states[1] = 5510 states[2] = 9.742056902468725e-06 states[3] = 9.742056902468725e-06 states[4] = 9.742056902468725e-06 states[5] = -13039 constants[1] = 8.31 constants[2] = 310 constants[3] = 96500 constants[4] = 27.8683 constants[5] = 0.523159 constants[6] = 1.86539 constants[7] = 0.153461 constants[8] = 1.01873 constants[9] = 4.456 constants[10] = 0.624857 constants[11] = 0.350491 constants[12] = 1 constants[13] = 0.000400323747581994 constants[14] = -1.41544821457997 return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic algebraic[3] = states[5]/constants[0] algebraic[5] = constants[1]*constants[2]*log(constants[9]*states[2]) algebraic[6] = algebraic[5]+constants[13]*constants[3]*algebraic[3] algebraic[7] = constants[1]*constants[2]*log(constants[10]*states[3]) algebraic[8] = algebraic[7]+constants[14]*constants[3]*algebraic[3] algebraic[10] = constants[5]*(exp(algebraic[6]/(constants[1]*constants[2]))-exp(algebraic[8]/(constants[1]*constants[2]))) algebraic[11] = -algebraic[10] rates[2] = algebraic[11] algebraic[4] = constants[12]*constants[3]*algebraic[3] algebraic[1] = constants[1]*constants[2]*log(constants[7]*states[1]) algebraic[12] = constants[1]*constants[2]*log(constants[11]*states[4]) algebraic[13] = algebraic[12]+algebraic[1]+algebraic[4] algebraic[2] = constants[1]*constants[2]*log(constants[8]*states[0]) algebraic[14] = algebraic[12]+algebraic[2] algebraic[15] = custom_piecewise([equal(algebraic[4] , 0.00000), 1.00000*constants[4]*(exp(algebraic[13]/(constants[1]*constants[2]))-exp(algebraic[14]/(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[13]/(constants[1]*constants[2]))-exp(algebraic[14]/(constants[1]*constants[2])))]) rates[1] = -algebraic[15] rates[0] = algebraic[15] algebraic[9] = algebraic[7]+constants[13]*constants[3]*algebraic[3] algebraic[16] = algebraic[12]+constants[14]*constants[3]*algebraic[3] algebraic[18] = constants[6]*(exp(algebraic[9]/(constants[1]*constants[2]))-exp(algebraic[16]/(constants[1]*constants[2]))) algebraic[19] = constants[3]*(-constants[12]*algebraic[15]+(algebraic[10]+algebraic[18])*(constants[14]-constants[13])) rates[5] = algebraic[19] algebraic[20] = algebraic[10]-algebraic[18] rates[3] = algebraic[20] algebraic[21] = algebraic[18] rates[4] = algebraic[21] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[3] = states[5]/constants[0] algebraic[5] = constants[1]*constants[2]*log(constants[9]*states[2]) algebraic[6] = algebraic[5]+constants[13]*constants[3]*algebraic[3] algebraic[7] = constants[1]*constants[2]*log(constants[10]*states[3]) algebraic[8] = algebraic[7]+constants[14]*constants[3]*algebraic[3] algebraic[10] = constants[5]*(exp(algebraic[6]/(constants[1]*constants[2]))-exp(algebraic[8]/(constants[1]*constants[2]))) algebraic[11] = -algebraic[10] algebraic[4] = constants[12]*constants[3]*algebraic[3] algebraic[1] = constants[1]*constants[2]*log(constants[7]*states[1]) algebraic[12] = constants[1]*constants[2]*log(constants[11]*states[4]) algebraic[13] = algebraic[12]+algebraic[1]+algebraic[4] algebraic[2] = constants[1]*constants[2]*log(constants[8]*states[0]) algebraic[14] = algebraic[12]+algebraic[2] algebraic[15] = custom_piecewise([equal(algebraic[4] , 0.00000), 1.00000*constants[4]*(exp(algebraic[13]/(constants[1]*constants[2]))-exp(algebraic[14]/(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[13]/(constants[1]*constants[2]))-exp(algebraic[14]/(constants[1]*constants[2])))]) algebraic[9] = algebraic[7]+constants[13]*constants[3]*algebraic[3] algebraic[16] = algebraic[12]+constants[14]*constants[3]*algebraic[3] algebraic[18] = constants[6]*(exp(algebraic[9]/(constants[1]*constants[2]))-exp(algebraic[16]/(constants[1]*constants[2]))) algebraic[19] = constants[3]*(-constants[12]*algebraic[15]+(algebraic[10]+algebraic[18])*(constants[14]-constants[13])) algebraic[20] = algebraic[10]-algebraic[18] algebraic[21] = algebraic[18] algebraic[0] = states[5]/constants[0] algebraic[17] = ((1.00000e-09*constants[3])/constants[0])*algebraic[15] 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)