# Size of variable arrays: sizeAlgebraic = 6 sizeStates = 3 sizeConstants = 8 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_states[0] = "q_CO2_i in component environment (fmol)" legend_states[1] = "q_HCO3_i in component environment (fmol)" legend_states[2] = "q_H_i in component environment (fmol)" legend_algebraic[5] = "v_Re_CO2hyd in component CO2_hyd (fmol_per_sec)" legend_algebraic[3] = "pH_i in component environment (dimensionless)" legend_algebraic[1] = "cH_i in component environment (mM)" legend_constants[0] = "w_i in component environment (pL)" legend_constants[1] = "kappa_Re_CO2hyd in component CO2_hyd_parameters (fmol_per_sec)" legend_constants[2] = "K_CO2_i in component CO2_hyd_parameters (per_fmol)" legend_constants[3] = "K_HCO3_i in component CO2_hyd_parameters (per_fmol)" legend_constants[4] = "K_H_i in component CO2_hyd_parameters (per_fmol)" legend_constants[5] = "R in component constants (J_per_K_per_mol)" legend_constants[6] = "T in component constants (kelvin)" legend_algebraic[0] = "mu_CO2_i in component CO2_hyd (J_per_mol)" legend_algebraic[2] = "mu_HCO3_i in component CO2_hyd (J_per_mol)" legend_algebraic[4] = "mu_H_i in component CO2_hyd (J_per_mol)" legend_constants[7] = "F in component constants (C_per_mol)" legend_rates[0] = "d/dt q_CO2_i in component environment (fmol)" legend_rates[1] = "d/dt q_HCO3_i in component environment (fmol)" legend_rates[2] = "d/dt q_H_i in component environment (fmol)" return (legend_states, legend_algebraic, legend_voi, legend_constants) def initConsts(): constants = [0.0] * sizeConstants; states = [0.0] * sizeStates; states[0] = 46.968 states[1] = 509.2 states[2] = 2.69019E-06 constants[0] = 38 constants[1] = 153.093 constants[2] = 82.5092 constants[3] = 0.00128495 constants[4] = 0.00128495 constants[5] = 8.31 constants[6] = 310 constants[7] = 96485 return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic algebraic[0] = constants[5]*constants[6]*log(constants[2]*states[0]) algebraic[2] = constants[5]*constants[6]*log(constants[3]*states[1]) algebraic[4] = constants[5]*constants[6]*log(constants[4]*states[2]) algebraic[5] = constants[1]*(exp(algebraic[0]/(constants[5]*constants[6]))-exp((algebraic[2]+algebraic[4])/(constants[5]*constants[6]))) rates[0] = -algebraic[5] rates[1] = algebraic[5] rates[2] = algebraic[5] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[0] = constants[5]*constants[6]*log(constants[2]*states[0]) algebraic[2] = constants[5]*constants[6]*log(constants[3]*states[1]) algebraic[4] = constants[5]*constants[6]*log(constants[4]*states[2]) algebraic[5] = constants[1]*(exp(algebraic[0]/(constants[5]*constants[6]))-exp((algebraic[2]+algebraic[4])/(constants[5]*constants[6]))) algebraic[1] = states[2]/constants[0] algebraic[3] = -log(algebraic[1], 10) 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)