# Size of variable arrays: sizeAlgebraic = 10 sizeStates = 7 sizeConstants = 28 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 (minute)" legend_states[0] = "r in component r (nanomolar)" legend_algebraic[0] = "ract in component r (dimensionless)" legend_algebraic[9] = "hr in component r (dimensionless)" legend_algebraic[4] = "Ir in component r (flux)" legend_algebraic[6] = "Ir2 in component r (flux)" legend_constants[0] = "k6 in component r (first_order_rate_constant)" legend_constants[1] = "n1 in component r (dimensionless)" legend_constants[2] = "theta_1 in component r (nanomolar)" legend_constants[3] = "n3 in component r (dimensionless)" legend_constants[4] = "theta_3 in component r (dimensionless)" legend_states[1] = "s in component s (nanomolar)" legend_algebraic[8] = "h_delta1 in component model_parameters (dimensionless)" legend_constants[5] = "j1 in component model_parameters (dimensionless)" legend_constants[6] = "Is2 in component s (flux)" legend_algebraic[7] = "Is in component model_parameters (flux)" legend_constants[7] = "k7 in component model_parameters (first_order_rate_constant)" legend_states[2] = "g in component g (dimensionless)" legend_states[3] = "se in component se (nanomolar)" legend_constants[8] = "Ise in component se (flux)" legend_states[4] = "f in component f (dimensionless)" legend_constants[9] = "k1 in component f (second_order_rate_constant)" legend_constants[10] = "k2 in component f (first_order_rate_constant)" legend_constants[11] = "k3 in component f (first_order_rate_constant)" legend_algebraic[2] = "phi_b_s in component f (dimensionless)" legend_constants[12] = "sb in component f (dimensionless)" legend_constants[13] = "delta_b in component f (dimensionless)" legend_constants[14] = "c in component model_parameters (nanomolar)" legend_states[5] = "h in component h (nanomolar)" legend_constants[15] = "k4 in component h (first_order_rate_constant)" legend_constants[16] = "k5 in component h (first_order_rate_constant)" legend_algebraic[3] = "phi_r_s in component h (dimensionless)" legend_constants[17] = "sr in component h (dimensionless)" legend_constants[18] = "delta_r in component h (dimensionless)" legend_constants[19] = "k8 in component model_parameters (first_order_rate_constant)" legend_constants[20] = "g1 in component g (first_order_rate_constant)" legend_constants[21] = "gmax in component g (dimensionless)" legend_constants[22] = "g2 in component g (per_nanomolar)" legend_algebraic[5] = "hact in component g (dimensionless)" legend_constants[23] = "n2 in component g (dimensionless)" legend_constants[24] = "theta_2 in component g (dimensionless)" legend_algebraic[1] = "h_delta in component model_parameters (dimensionless)" legend_states[6] = "hh in component hh (nanomolar)" legend_constants[25] = "Ih in component hh (flux)" legend_constants[26] = "delta in component model_parameters (per_nanomolar)" legend_constants[27] = "delta1 in component model_parameters (per_nanomolar)" legend_rates[0] = "d/dt r in component r (nanomolar)" legend_rates[1] = "d/dt s in component s (nanomolar)" legend_rates[3] = "d/dt se in component se (nanomolar)" legend_rates[4] = "d/dt f in component f (dimensionless)" legend_rates[5] = "d/dt h in component h (nanomolar)" legend_rates[2] = "d/dt g in component g (dimensionless)" legend_rates[6] = "d/dt hh in component hh (nanomolar)" return (legend_states, legend_algebraic, legend_voi, legend_constants) def initConsts(): constants = [0.0] * sizeConstants; states = [0.0] * sizeStates; states[0] = 0.0 constants[0] = 5.0 constants[1] = 4.0 constants[2] = 1.0 constants[3] = 5.0 constants[4] = 30.0 states[1] = 0.0 constants[5] = 10 constants[6] = 50.0 constants[7] = 5.0 states[2] = 2.0 states[3] = 0.0 constants[8] = 10.0 states[4] = 0.3 constants[9] = 0.1 constants[10] = 0.002 constants[11] = 0.018 constants[12] = 0.029 constants[13] = 0.3 constants[14] = 0.01 states[5] = 0.0 constants[15] = 0.5 constants[16] = 71.0 constants[17] = -0.56 constants[18] = 0.2 constants[19] = 0.07 constants[20] = 1.0 constants[21] = 5.0 constants[22] = 0.008 constants[23] = 2.0 constants[24] = 30.0 states[6] = 0.0 constants[25] = 50.0 constants[26] = 60.0 constants[27] = 15.0 return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic rates[3] = constants[8]-constants[7]*states[3] rates[6] = constants[5]*(constants[25]-constants[19]*states[6]) algebraic[2] = 1.00000/(1.00000+exp(-(log(1.00000*(states[1]+states[3]), 10)-constants[12])/constants[13])) rates[4] = -(constants[9]*(states[0]+constants[14])*states[4])+(constants[10]+constants[11]*algebraic[2])*(1.00000-states[4]) algebraic[3] = 1.00000/(1.00000+exp(-(log(1.00000*(states[1]+states[3]), 10)-constants[17])/constants[18])) rates[5] = constants[5]*((constants[15]+constants[16]*(1.00000-algebraic[3]))*((states[0]+constants[14])*states[4])-constants[19]*states[5]) algebraic[7] = custom_piecewise([greater(voi , 0.00000) & less_equal(voi , 90.0000), 10.0000 , greater(voi , 90.0000) & less_equal(voi , 180.000), 0.00000 , greater(voi , 180.000) & less_equal(voi , 270.000), 10.0000 , greater(voi , 270.000) & less_equal(voi , 360.000), 0.00000 , True, 0.00000]) rates[1] = (algebraic[7]*states[2]-constants[7]*states[1])+constants[6] algebraic[1] = (states[5]+states[6])*constants[26] algebraic[5] = (power(algebraic[1], constants[23]))/(power(algebraic[1], constants[23])+power(constants[5]*constants[24], constants[23])) rates[2] = constants[20]*algebraic[5]*((constants[21]-states[2])/constants[21])-constants[22]*algebraic[7]*states[2] algebraic[0] = 1.00000-(power(states[1], constants[1]))/(power(states[1], constants[1])+power(constants[2], constants[1])) algebraic[8] = (states[5]+states[6])*constants[27] algebraic[9] = 1.00000-(power(algebraic[8], constants[3]))/(power(algebraic[8], constants[3])+power(constants[5]*constants[4], constants[3])) algebraic[4] = custom_piecewise([greater_equal(voi , 0.00000) & less_equal(voi , 90.0000), 0.00000 , greater_equal(voi , 91.0000) & less_equal(voi , 92.0000), 10.0000 , greater_equal(voi , 93.0000) & less_equal(voi , 113.000), 0.00000 , greater_equal(voi , 114.000) & less_equal(voi , 115.000), 10.0000 , greater_equal(voi , 116.000) & less_equal(voi , 136.000), 0.00000 , greater_equal(voi , 137.000) & less_equal(voi , 138.000), 10.0000 , greater_equal(voi , 139.000) & less_equal(voi , 159.000), 0.00000 , greater_equal(voi , 160.000) & less_equal(voi , 161.000), 10.0000 , greater_equal(voi , 162.000) & less_equal(voi , 252.000), 0.00000 , greater_equal(voi , 253.000) & less_equal(voi , 254.000), 10.0000 , greater_equal(voi , 255.000) & less_equal(voi , 275.000), 0.00000 , greater_equal(voi , 276.000) & less_equal(voi , 277.000), 10.0000 , greater_equal(voi , 278.000) & less_equal(voi , 298.000), 0.00000 , greater_equal(voi , 299.000) & less_equal(voi , 300.000), 10.0000 , greater_equal(voi , 301.000) & less_equal(voi , 321.000), 0.00000 , greater_equal(voi , 322.000) & less_equal(voi , 323.000), 10.0000 , True, 0.00000]) algebraic[6] = custom_piecewise([greater_equal(voi , 0.00000) & less_equal(voi , 5.00000), 0.00000 , greater_equal(voi , 6.00000) & less_equal(voi , 7.00000), 1000.00 , greater_equal(voi , 8.00000) & less_equal(voi , 12.0000), 0.00000 , greater_equal(voi , 13.0000) & less_equal(voi , 14.0000), 1000.00 , greater_equal(voi , 15.0000) & less_equal(voi , 21.0000), 0.00000 , greater_equal(voi , 22.0000) & less_equal(voi , 23.0000), 1000.00 , greater_equal(voi , 24.0000) & less_equal(voi , 204.000), 0.00000 , greater_equal(voi , 205.000) & less_equal(voi , 206.000), 1000.00 , greater_equal(voi , 207.000) & less_equal(voi , 217.000), 0.00000 , greater_equal(voi , 218.000) & less_equal(voi , 219.000), 1000.00 , greater_equal(voi , 220.000) & less_equal(voi , 227.000), 0.00000 , greater_equal(voi , 228.000) & less_equal(voi , 229.000), 1000.00 , greater_equal(voi , 230.000) & less_equal(voi , 310.000), 0.00000 , greater_equal(voi , 311.000) & less_equal(voi , 312.000), 1000.00 , greater_equal(voi , 313.000) & less_equal(voi , 321.000), 0.00000 , greater_equal(voi , 322.000) & less_equal(voi , 323.000), 1000.00 , True, 0.00000]) rates[0] = (algebraic[0]*algebraic[9]*algebraic[4]-constants[0]*states[0])+algebraic[6] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[2] = 1.00000/(1.00000+exp(-(log(1.00000*(states[1]+states[3]), 10)-constants[12])/constants[13])) algebraic[3] = 1.00000/(1.00000+exp(-(log(1.00000*(states[1]+states[3]), 10)-constants[17])/constants[18])) algebraic[7] = custom_piecewise([greater(voi , 0.00000) & less_equal(voi , 90.0000), 10.0000 , greater(voi , 90.0000) & less_equal(voi , 180.000), 0.00000 , greater(voi , 180.000) & less_equal(voi , 270.000), 10.0000 , greater(voi , 270.000) & less_equal(voi , 360.000), 0.00000 , True, 0.00000]) algebraic[1] = (states[5]+states[6])*constants[26] algebraic[5] = (power(algebraic[1], constants[23]))/(power(algebraic[1], constants[23])+power(constants[5]*constants[24], constants[23])) algebraic[0] = 1.00000-(power(states[1], constants[1]))/(power(states[1], constants[1])+power(constants[2], constants[1])) algebraic[8] = (states[5]+states[6])*constants[27] algebraic[9] = 1.00000-(power(algebraic[8], constants[3]))/(power(algebraic[8], constants[3])+power(constants[5]*constants[4], constants[3])) algebraic[4] = custom_piecewise([greater_equal(voi , 0.00000) & less_equal(voi , 90.0000), 0.00000 , greater_equal(voi , 91.0000) & less_equal(voi , 92.0000), 10.0000 , greater_equal(voi , 93.0000) & less_equal(voi , 113.000), 0.00000 , greater_equal(voi , 114.000) & less_equal(voi , 115.000), 10.0000 , greater_equal(voi , 116.000) & less_equal(voi , 136.000), 0.00000 , greater_equal(voi , 137.000) & less_equal(voi , 138.000), 10.0000 , greater_equal(voi , 139.000) & less_equal(voi , 159.000), 0.00000 , greater_equal(voi , 160.000) & less_equal(voi , 161.000), 10.0000 , greater_equal(voi , 162.000) & less_equal(voi , 252.000), 0.00000 , greater_equal(voi , 253.000) & less_equal(voi , 254.000), 10.0000 , greater_equal(voi , 255.000) & less_equal(voi , 275.000), 0.00000 , greater_equal(voi , 276.000) & less_equal(voi , 277.000), 10.0000 , greater_equal(voi , 278.000) & less_equal(voi , 298.000), 0.00000 , greater_equal(voi , 299.000) & less_equal(voi , 300.000), 10.0000 , greater_equal(voi , 301.000) & less_equal(voi , 321.000), 0.00000 , greater_equal(voi , 322.000) & less_equal(voi , 323.000), 10.0000 , True, 0.00000]) algebraic[6] = custom_piecewise([greater_equal(voi , 0.00000) & less_equal(voi , 5.00000), 0.00000 , greater_equal(voi , 6.00000) & less_equal(voi , 7.00000), 1000.00 , greater_equal(voi , 8.00000) & less_equal(voi , 12.0000), 0.00000 , greater_equal(voi , 13.0000) & less_equal(voi , 14.0000), 1000.00 , greater_equal(voi , 15.0000) & less_equal(voi , 21.0000), 0.00000 , greater_equal(voi , 22.0000) & less_equal(voi , 23.0000), 1000.00 , greater_equal(voi , 24.0000) & less_equal(voi , 204.000), 0.00000 , greater_equal(voi , 205.000) & less_equal(voi , 206.000), 1000.00 , greater_equal(voi , 207.000) & less_equal(voi , 217.000), 0.00000 , greater_equal(voi , 218.000) & less_equal(voi , 219.000), 1000.00 , greater_equal(voi , 220.000) & less_equal(voi , 227.000), 0.00000 , greater_equal(voi , 228.000) & less_equal(voi , 229.000), 1000.00 , greater_equal(voi , 230.000) & less_equal(voi , 310.000), 0.00000 , greater_equal(voi , 311.000) & less_equal(voi , 312.000), 1000.00 , greater_equal(voi , 313.000) & less_equal(voi , 321.000), 0.00000 , greater_equal(voi , 322.000) & less_equal(voi , 323.000), 1000.00 , True, 0.00000]) 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)