# Size of variable arrays: sizeAlgebraic = 21 sizeStates = 3 sizeConstants = 19 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_constants[1] = "q_K_o in component environment (fmol)" legend_constants[2] = "q_K_i in component environment (fmol)" legend_states[0] = "q_S_Ks0 in component environment (fmol)" legend_states[1] = "q_S_Ks1 in component environment (fmol)" legend_states[2] = "q_S_Ks2 in component environment (fmol)" legend_algebraic[1] = "q_mem in component environment (fC)" legend_algebraic[0] = "Vmem in component environment (volt)" legend_constants[3] = "R in component environment (J_per_K_per_mol)" legend_constants[4] = "T in component environment (kelvin)" legend_constants[5] = "F in component environment (C_per_mol)" legend_algebraic[14] = "v_Ks in component Ks (fmol_per_sec)" legend_algebraic[18] = "I_mem_Ks in component Ks (fA)" legend_algebraic[15] = "i_Ks in component environment (uA_per_uF)" legend_constants[6] = "kappa_Ks in component Ks_parameters (fmol_per_sec)" legend_constants[7] = "kappa_xs1 in component Ks_parameters (fmol_per_sec)" legend_constants[8] = "kappa_xs2 in component Ks_parameters (fmol_per_sec)" legend_constants[9] = "K_K_i in component Ks_parameters (per_fmol)" legend_constants[10] = "K_K_o in component Ks_parameters (per_fmol)" legend_constants[11] = "K_S_Ks0 in component Ks_parameters (per_fmol)" legend_constants[12] = "K_S_Ks1 in component Ks_parameters (per_fmol)" legend_constants[13] = "K_S_Ks2 in component Ks_parameters (per_fmol)" legend_constants[14] = "zK in component Ks_parameters (dimensionless)" legend_constants[15] = "z_xs_f in component Ks_parameters (dimensionless)" legend_constants[16] = "z_xs_r in component Ks_parameters (dimensionless)" legend_constants[17] = "u_K_i in component Ks (J_per_mol)" legend_constants[18] = "u_K_o in component Ks (J_per_mol)" legend_algebraic[2] = "V_mem in component Ks (J_per_C)" legend_algebraic[3] = "Am_Ks in component Ks (J_per_mol)" legend_algebraic[12] = "Af_Ks in component Ks (J_per_mol)" legend_algebraic[13] = "Ar_Ks in component Ks (J_per_mol)" legend_algebraic[10] = "v_S_Ks0 in component Ks (fmol_per_sec)" legend_algebraic[19] = "v_S_Ks1 in component Ks (fmol_per_sec)" legend_algebraic[20] = "v_S_Ks2 in component Ks (fmol_per_sec)" legend_algebraic[9] = "v_xs1 in component Ks (fmol_per_sec)" legend_algebraic[17] = "v_xs2 in component Ks (fmol_per_sec)" legend_algebraic[4] = "mu_S_Ks0 in component Ks (J_per_mol)" legend_algebraic[6] = "mu_S_Ks1 in component Ks (J_per_mol)" legend_algebraic[11] = "mu_S_Ks2 in component Ks (J_per_mol)" legend_algebraic[5] = "Af_xs1 in component Ks (J_per_mol)" legend_algebraic[7] = "Ar_xs1 in component Ks (J_per_mol)" legend_algebraic[8] = "Af_xs2 in component Ks (J_per_mol)" legend_algebraic[16] = "Ar_xs2 in component Ks (J_per_mol)" legend_rates[0] = "d/dt q_S_Ks0 in component environment (fmol)" legend_rates[1] = "d/dt q_S_Ks1 in component environment (fmol)" legend_rates[2] = "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] = 60000 constants[1] = 20.0448 constants[2] = 388.832 states[0] = 9.742056902468725e-06 states[1] = 9.742056902468725e-06 states[2] = 9.742056902468725e-06 constants[3] = 8.31 constants[4] = 310 constants[5] = 96500 constants[6] = 27.8683 constants[7] = 0.00829152 constants[8] = 0.0295644 constants[9] = 1.42292 constants[10] = 10.4348 constants[11] = 0.281155 constants[12] = 0.0394258 constants[13] = 0.0221145 constants[14] = 1 constants[15] = 0.000400323747581994 constants[16] = -1.41544821457997 constants[17] = constants[3]*constants[4]*log(constants[9]*constants[2]) constants[18] = constants[3]*constants[4]*log(constants[10]*constants[1]) return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic algebraic[0] = custom_piecewise([greater_equal(voi , 0.00000) & less(voi , 4.00000), -0.0900000 , greater(voi , 10.1000) & less(voi , 13.1000), -0.0600000 , greater(voi , 14.1000) & less(voi , 15.1000), -0.0400000 , greater(voi , 17.0000), 0.0900000 , True, -0.0800000]) algebraic[1] = algebraic[0]*constants[0] algebraic[2] = algebraic[1]/constants[0] algebraic[4] = constants[3]*constants[4]*log(constants[11]*states[0]) algebraic[5] = algebraic[4]+constants[15]*constants[5]*algebraic[2] algebraic[6] = constants[3]*constants[4]*log(constants[12]*states[1]) algebraic[7] = algebraic[6]+constants[16]*constants[5]*algebraic[2] algebraic[9] = constants[7]*(exp(algebraic[5]/(constants[3]*constants[4]))-exp(algebraic[7]/(constants[3]*constants[4]))) algebraic[10] = -algebraic[9] rates[0] = algebraic[10] algebraic[8] = algebraic[6]+constants[15]*constants[5]*algebraic[2] algebraic[11] = constants[3]*constants[4]*log(constants[13]*states[2]) algebraic[16] = algebraic[11]+constants[16]*constants[5]*algebraic[2] algebraic[17] = constants[8]*(exp(algebraic[8]/(constants[3]*constants[4]))-exp(algebraic[16]/(constants[3]*constants[4]))) algebraic[19] = algebraic[9]-algebraic[17] rates[1] = algebraic[19] algebraic[20] = algebraic[17] rates[2] = algebraic[20] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[0] = custom_piecewise([greater_equal(voi , 0.00000) & less(voi , 4.00000), -0.0900000 , greater(voi , 10.1000) & less(voi , 13.1000), -0.0600000 , greater(voi , 14.1000) & less(voi , 15.1000), -0.0400000 , greater(voi , 17.0000), 0.0900000 , True, -0.0800000]) algebraic[1] = algebraic[0]*constants[0] algebraic[2] = algebraic[1]/constants[0] algebraic[4] = constants[3]*constants[4]*log(constants[11]*states[0]) algebraic[5] = algebraic[4]+constants[15]*constants[5]*algebraic[2] algebraic[6] = constants[3]*constants[4]*log(constants[12]*states[1]) algebraic[7] = algebraic[6]+constants[16]*constants[5]*algebraic[2] algebraic[9] = constants[7]*(exp(algebraic[5]/(constants[3]*constants[4]))-exp(algebraic[7]/(constants[3]*constants[4]))) algebraic[10] = -algebraic[9] algebraic[8] = algebraic[6]+constants[15]*constants[5]*algebraic[2] algebraic[11] = constants[3]*constants[4]*log(constants[13]*states[2]) algebraic[16] = algebraic[11]+constants[16]*constants[5]*algebraic[2] algebraic[17] = constants[8]*(exp(algebraic[8]/(constants[3]*constants[4]))-exp(algebraic[16]/(constants[3]*constants[4]))) algebraic[19] = algebraic[9]-algebraic[17] algebraic[20] = algebraic[17] algebraic[3] = constants[14]*constants[5]*algebraic[2] algebraic[12] = algebraic[11]+constants[17]+algebraic[3] algebraic[13] = algebraic[11]+constants[18] algebraic[14] = custom_piecewise([equal(algebraic[3] , 0.00000), 1.00000*constants[6]*(exp(algebraic[12]/(constants[3]*constants[4]))-exp(algebraic[13]/(constants[3]*constants[4]))) , True, (((1.00000*constants[6]*algebraic[3])/(constants[3]*constants[4]))/(exp(algebraic[3]/(constants[3]*constants[4]))-1.00000))*(exp(algebraic[12]/(constants[3]*constants[4]))-exp(algebraic[13]/(constants[3]*constants[4])))]) algebraic[15] = ((1.00000e-09*constants[5])/constants[0])*algebraic[14] algebraic[18] = constants[5]*(-constants[14]*algebraic[14]+(algebraic[9]+algebraic[17])*(constants[16]-constants[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)