# Size of variable arrays: sizeAlgebraic = 9 sizeStates = 22 sizeConstants = 45 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] = "T2 in component T2 (micromolar)" legend_algebraic[0] = "Vmax in component T2 (flux)" legend_constants[37] = "KR in component T2 (molar)" legend_states[1] = "LT2 in component LT2 (micromolar)" legend_states[2] = "T2R in component T2R (micromolar)" legend_constants[0] = "R in component R (micromolar)" legend_states[3] = "T3 in component T3 (micromolar)" legend_constants[1] = "L in component L (micromolar)" legend_states[4] = "Bp in component Bp (micromolar)" legend_states[5] = "T2p in component T2p (micromolar)" legend_constants[2] = "Y0 in component Y0 (micromolar)" legend_states[6] = "Yp in component Yp (micromolar)" legend_constants[3] = "B0 in component B0 (micromolar)" legend_constants[4] = "k5 in component model_parameters (second_order_rate_constant)" legend_constants[5] = "k_5 in component model_parameters (first_order_rate_constant)" legend_constants[6] = "k8 in component model_parameters (first_order_rate_constant)" legend_constants[7] = "k_1 in component model_parameters (second_order_rate_constant)" legend_constants[8] = "ky in component model_parameters (second_order_rate_constant)" legend_constants[9] = "kb in component model_parameters (second_order_rate_constant)" legend_constants[10] = "k1a in component model_parameters (first_order_rate_constant)" legend_constants[11] = "k1b in component model_parameters (second_order_rate_constant)" legend_constants[12] = "k1c in component model_parameters (first_order_rate_constant)" legend_algebraic[1] = "Vmax in component T3 (flux)" legend_constants[38] = "KR in component T3 (molar)" legend_states[7] = "LT3 in component LT3 (micromolar)" legend_states[8] = "T3R in component T3R (micromolar)" legend_states[9] = "T4 in component T4 (micromolar)" legend_states[10] = "T3p in component T3p (micromolar)" legend_constants[13] = "k6 in component model_parameters (second_order_rate_constant)" legend_constants[14] = "k_6 in component model_parameters (first_order_rate_constant)" legend_constants[15] = "k9 in component model_parameters (first_order_rate_constant)" legend_constants[16] = "k_2 in component model_parameters (second_order_rate_constant)" legend_constants[17] = "k2a in component model_parameters (first_order_rate_constant)" legend_constants[18] = "k2b in component model_parameters (second_order_rate_constant)" legend_constants[19] = "k2c in component model_parameters (first_order_rate_constant)" legend_states[11] = "LT4 in component LT4 (micromolar)" legend_states[12] = "T4p in component T4p (micromolar)" legend_constants[20] = "k7 in component model_parameters (second_order_rate_constant)" legend_constants[21] = "k_7 in component model_parameters (first_order_rate_constant)" legend_constants[22] = "k10 in component model_parameters (first_order_rate_constant)" legend_algebraic[2] = "Vmax in component T2p (flux)" legend_constants[39] = "KR in component T2p (molar)" legend_states[13] = "LT2p in component LT2p (micromolar)" legend_states[14] = "T2pR in component T2pR (micromolar)" legend_algebraic[3] = "Vmax in component T3p (flux)" legend_constants[40] = "KR in component T3p (molar)" legend_states[15] = "LT3p in component LT3p (micromolar)" legend_states[16] = "T3pR in component T3pR (micromolar)" legend_states[17] = "LT4p in component LT4p (micromolar)" legend_algebraic[4] = "Vmax in component LT2 (flux)" legend_constants[41] = "KR in component LT2 (molar)" legend_states[18] = "LT2R in component LT2R (micromolar)" legend_constants[23] = "k11 in component model_parameters (first_order_rate_constant)" legend_constants[24] = "k_3 in component model_parameters (second_order_rate_constant)" legend_constants[25] = "k3a in component model_parameters (first_order_rate_constant)" legend_constants[26] = "k3b in component model_parameters (second_order_rate_constant)" legend_constants[27] = "k3c in component model_parameters (first_order_rate_constant)" legend_algebraic[5] = "Vmax in component LT3 (flux)" legend_constants[42] = "KR in component LT3 (molar)" legend_states[19] = "LT3R in component LT3R (micromolar)" legend_constants[28] = "k12 in component model_parameters (first_order_rate_constant)" legend_constants[29] = "k_4 in component model_parameters (second_order_rate_constant)" legend_constants[30] = "k4a in component model_parameters (first_order_rate_constant)" legend_constants[31] = "k4b in component model_parameters (second_order_rate_constant)" legend_constants[32] = "k4c in component model_parameters (first_order_rate_constant)" legend_constants[33] = "k13 in component model_parameters (first_order_rate_constant)" legend_algebraic[6] = "Vmax in component LT2p (flux)" legend_constants[43] = "KR in component LT2p (molar)" legend_states[20] = "LT2pR in component LT2pR (micromolar)" legend_algebraic[7] = "Vmax in component LT3p (flux)" legend_constants[44] = "KR in component LT3p (molar)" legend_states[21] = "LT3pR in component LT3pR (micromolar)" legend_algebraic[8] = "P in component P (micromolar)" legend_constants[34] = "Z in component Z (micromolar)" legend_constants[35] = "k_y in component model_parameters (second_order_rate_constant)" legend_constants[36] = "k_b in component model_parameters (first_order_rate_constant)" legend_rates[0] = "d/dt T2 in component T2 (micromolar)" legend_rates[3] = "d/dt T3 in component T3 (micromolar)" legend_rates[9] = "d/dt T4 in component T4 (micromolar)" legend_rates[5] = "d/dt T2p in component T2p (micromolar)" legend_rates[10] = "d/dt T3p in component T3p (micromolar)" legend_rates[12] = "d/dt T4p in component T4p (micromolar)" legend_rates[1] = "d/dt LT2 in component LT2 (micromolar)" legend_rates[7] = "d/dt LT3 in component LT3 (micromolar)" legend_rates[11] = "d/dt LT4 in component LT4 (micromolar)" legend_rates[13] = "d/dt LT2p in component LT2p (micromolar)" legend_rates[15] = "d/dt LT3p in component LT3p (micromolar)" legend_rates[17] = "d/dt LT4p in component LT4p (micromolar)" legend_rates[6] = "d/dt Yp in component Yp (micromolar)" legend_rates[4] = "d/dt Bp in component Bp (micromolar)" legend_rates[2] = "d/dt T2R in component T2R (micromolar)" legend_rates[8] = "d/dt T3R in component T3R (micromolar)" legend_rates[14] = "d/dt T2pR in component T2pR (micromolar)" legend_rates[16] = "d/dt T3pR in component T3pR (micromolar)" legend_rates[18] = "d/dt LT2R in component LT2R (micromolar)" legend_rates[19] = "d/dt LT3R in component LT3R (micromolar)" legend_rates[20] = "d/dt LT2pR in component LT2pR (micromolar)" legend_rates[21] = "d/dt LT3pR in component LT3pR (micromolar)" return (legend_states, legend_algebraic, legend_voi, legend_constants) def initConsts(): constants = [0.0] * sizeConstants; states = [0.0] * sizeStates; states[0] = 0.01 states[1] = 0.01 states[2] = 0.01 constants[0] = 0.3 states[3] = 0.01 constants[1] = 3.0 states[4] = 0.01 states[5] = 0.01 constants[2] = 20.0 states[6] = 0.01 constants[3] = 1.7 constants[4] = 7E7 constants[5] = 70.0 constants[6] = 15.0 constants[7] = 4E5 constants[8] = 3E7 constants[9] = 8E5 constants[10] = 10 constants[11] = 17 constants[12] = 0.17 states[7] = 0.01 states[8] = 0.01 states[9] = 0.01 states[10] = 0.01 constants[13] = 7E7 constants[14] = 70.0 constants[15] = 45.0 constants[16] = 3E4 constants[17] = 10 constants[18] = 17 constants[19] = 0.017 states[11] = 0.01 states[12] = 0.01 constants[20] = 7E7 constants[21] = 70.0 constants[22] = 48.0 states[13] = 0.01 states[14] = 0.01 states[15] = 0.01 states[16] = 0.01 states[17] = 0.01 states[18] = 0.01 constants[23] = 0.0 constants[24] = 4E5 constants[25] = 10 constants[26] = 17 constants[27] = 5.1 states[19] = 0.01 constants[28] = 16.5 constants[29] = 3E4 constants[30] = 10 constants[31] = 17 constants[32] = 0.51 constants[33] = 34.56 states[20] = 0.01 states[21] = 0.01 constants[34] = 40.0 constants[35] = 5E5 constants[36] = 0.35 constants[37] = (constants[10]+constants[12])/constants[11] constants[38] = (constants[17]+constants[19])/constants[18] constants[39] = (constants[10]+constants[12])/constants[11] constants[40] = (constants[17]+constants[19])/constants[18] constants[41] = (constants[25]+constants[27])/constants[26] constants[42] = (constants[30]+constants[32])/constants[31] constants[43] = (constants[25]+constants[27])/constants[26] constants[44] = (constants[30]+constants[32])/constants[31] return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic rates[9] = (constants[21]*states[11]+constants[8]*states[12]*(constants[2]-states[6])+constants[9]*states[12]*(constants[3]-states[4]))-(constants[20]*constants[1]*states[9]+constants[22]*states[9]) rates[12] = (constants[21]*states[17]+constants[8]*states[9]*(constants[2]-states[6])+constants[9]*states[9]*(constants[3]-states[4]))-(constants[20]*constants[1]*states[12]+constants[22]*states[12]) rates[11] = (constants[21]*states[9]+constants[8]*states[17]*(constants[2]-states[6])+constants[9]*states[17]*(constants[3]-states[4]))-(constants[20]*constants[1]*states[11]+constants[33]*states[11]) rates[17] = (constants[21]*states[12]+constants[8]*states[17]*(constants[2]-states[6])+constants[9]*states[17]*(constants[3]-states[4]))-(constants[20]*constants[1]*states[17]+constants[33]*states[17]) rates[2] = constants[11]*states[0]*constants[0]-(constants[10]*states[2]+constants[12]*states[2]) rates[8] = constants[18]*states[3]*constants[0]-(constants[17]*states[8]+constants[19]*states[8]) rates[14] = constants[11]*states[5]*constants[0]-(constants[10]*states[14]+constants[12]*states[14]) rates[16] = constants[18]*states[10]*constants[0]-(constants[17]*states[16]+constants[19]*states[16]) rates[18] = constants[26]*states[1]*constants[0]-(constants[25]*states[18]+constants[27]*states[18]) rates[19] = constants[31]*states[7]*constants[0]-(constants[30]*states[19]+constants[32]*states[19]) rates[20] = constants[26]*states[13]*constants[0]-(constants[25]*states[20]+constants[27]*states[20]) rates[21] = constants[31]*states[15]*constants[0]-(constants[30]*states[21]+constants[32]*states[21]) algebraic[0] = constants[12]*(constants[0]+states[2]) rates[0] = (constants[5]*states[1]+constants[7]*states[4]*states[3]+constants[8]*states[5]*(constants[2]-states[6])+constants[9]*states[5]*(constants[3]-states[4]))-(constants[4]*constants[1]*states[0]+constants[6]*states[0]+algebraic[0]*(states[0]/(constants[37]+states[0]))) algebraic[1] = constants[19]*(constants[0]+states[8]) rates[3] = (constants[14]*states[7]+constants[16]*states[4]*states[9]+constants[8]*states[10]*(constants[2]-states[6])+constants[9]*states[10]*(constants[3]-states[4]))-(constants[13]*constants[1]*states[3]+constants[15]*states[3]+algebraic[1]*(states[3]/(constants[38]+states[3]))) algebraic[2] = constants[12]*(constants[0]+states[14]) rates[5] = (constants[5]*states[13]+constants[7]*states[4]*states[10]+constants[8]*states[0]*(constants[2]-states[6])+constants[9]*states[0]*(constants[3]-states[4]))-(constants[4]*constants[1]*states[5]+constants[6]*states[5]+algebraic[2]*(states[5]/(constants[39]+states[5]))) algebraic[3] = constants[19]*(constants[0]+states[16]) rates[10] = (constants[14]*states[15]+constants[16]*states[4]*states[12]+constants[8]*states[3]*(constants[2]-states[6])+constants[9]*states[3]*(constants[3]-states[4]))-(constants[13]*constants[1]*states[10]+constants[15]*states[10]+algebraic[3]*(states[10]/(constants[40]+states[10]))) algebraic[4] = constants[27]*(constants[0]+states[18]) rates[1] = (constants[5]*states[0]+constants[24]*states[4]*states[7]+constants[8]*states[13]*(constants[2]-states[6])+constants[9]*states[13]*(constants[3]-states[4]))-(constants[4]*constants[1]*states[1]+constants[23]*states[1]+algebraic[4]*(states[1]/(constants[41]+states[1]))) algebraic[5] = constants[32]*(constants[0]+states[19]) rates[7] = (constants[14]*states[3]+constants[29]*states[4]*states[11]+constants[8]*states[15]*(constants[2]-states[6])+constants[9]*states[15]*(constants[3]-states[4]))-(constants[13]*constants[1]*states[7]+constants[28]*states[7]+algebraic[5]*(states[7]/(constants[42]+states[7]))) algebraic[6] = constants[27]*(constants[0]+states[20]) rates[13] = (constants[5]*states[5]+constants[24]*states[4]*states[15]+constants[8]*states[1]*(constants[2]-states[6])+constants[9]*states[1]*(constants[3]-states[4]))-(constants[4]*constants[1]*states[13]+constants[23]*states[13]+algebraic[6]*(states[13]/(constants[43]+states[13]))) algebraic[7] = constants[32]*(constants[0]+states[21]) rates[15] = (constants[14]*states[10]+constants[29]*states[4]*states[17]+constants[8]*states[7]*(constants[2]-states[6])+constants[9]*states[7]*(constants[3]-states[4]))-(constants[13]*constants[1]*states[15]+constants[28]*states[15]+algebraic[7]*(states[15]/(constants[44]+states[15]))) algebraic[8] = states[5]+states[13]+states[10]+states[15]+states[12]+states[17] rates[6] = constants[8]*algebraic[8]*(constants[2]-states[6])-constants[35]*constants[34]*states[6] rates[4] = constants[9]*algebraic[8]*(constants[3]-states[4])-constants[36]*states[4] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[0] = constants[12]*(constants[0]+states[2]) algebraic[1] = constants[19]*(constants[0]+states[8]) algebraic[2] = constants[12]*(constants[0]+states[14]) algebraic[3] = constants[19]*(constants[0]+states[16]) algebraic[4] = constants[27]*(constants[0]+states[18]) algebraic[5] = constants[32]*(constants[0]+states[19]) algebraic[6] = constants[27]*(constants[0]+states[20]) algebraic[7] = constants[32]*(constants[0]+states[21]) algebraic[8] = states[5]+states[13]+states[10]+states[15]+states[12]+states[17] 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)