# Size of variable arrays: sizeAlgebraic = 7 sizeStates = 6 sizeConstants = 10 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] = "C2 in component C2 (millimolar)" legend_constants[0] = "k6 in component reaction_constants (first_order_rate_constant)" legend_constants[8] = "k8 in component reaction_constants (second_order_rate_constant)" legend_constants[1] = "k9 in component reaction_constants (first_order_rate_constant)" legend_states[1] = "M in component M (millimolar)" legend_constants[2] = "P in component reaction_constants (millimolar)" legend_states[2] = "CP in component CP (millimolar)" legend_algebraic[4] = "k3 in component reaction_constants (second_order_rate_constant)" legend_states[3] = "Y in component Y (millimolar)" legend_states[4] = "pM in component pM (millimolar)" legend_constants[9] = "k5 in component reaction_constants (second_order_rate_constant)" legend_algebraic[6] = "F in component reaction_constants (first_order_rate_constant)" legend_algebraic[1] = "k1 in component reaction_constants (first_order_rate_constant)" legend_constants[3] = "k2 in component reaction_constants (first_order_rate_constant)" legend_constants[4] = "aa in component reaction_constants (millimolar)" legend_states[5] = "YP in component YP (millimolar)" legend_constants[5] = "k7 in component reaction_constants (first_order_rate_constant)" legend_constants[6] = "k4 in component reaction_constants (first_order_rate_constant)" legend_constants[7] = "k4_ in component reaction_constants (first_order_rate_constant)" legend_algebraic[0] = "CT in component reaction_constants (millimolar)" legend_algebraic[2] = "YT in component reaction_constants (millimolar)" legend_algebraic[5] = "YT_CT in component reaction_constants (dimensionless)" legend_algebraic[3] = "M_CT in component reaction_constants (dimensionless)" legend_rates[0] = "d/dt C2 in component C2 (millimolar)" legend_rates[2] = "d/dt CP in component CP (millimolar)" legend_rates[4] = "d/dt pM in component pM (millimolar)" legend_rates[1] = "d/dt M in component M (millimolar)" legend_rates[3] = "d/dt Y in component Y (millimolar)" legend_rates[5] = "d/dt YP in component YP (millimolar)" return (legend_states, legend_algebraic, legend_voi, legend_constants) def initConsts(): constants = [0.0] * sizeConstants; states = [0.0] * sizeStates; states[0] = 0.001 constants[0] = 1.0 constants[1] = 100.0 states[1] = 0.001 constants[2] = 1.0 states[2] = 0.001 states[3] = 0.001 states[4] = 0.001 constants[3] = 0.0 constants[4] = 1.0 states[5] = 0.001 constants[5] = 0.6 constants[6] = 180.0 constants[7] = 0.018 constants[8] = constants[1]/constants[2] constants[9] = 0.00000/constants[2] return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic rates[0] = (constants[0]*states[1]+constants[1]*states[2])-constants[8]*constants[2]*states[0] rates[5] = constants[0]*states[1]-constants[5]*states[5] algebraic[0] = states[0]+states[2]+states[4]+states[1] algebraic[4] = 200.000/algebraic[0] rates[2] = constants[8]*constants[2]*states[0]-(constants[1]*states[2]+algebraic[4]*states[2]*states[3]) algebraic[1] = (0.0150000*algebraic[0])/constants[4] rates[3] = constants[4]*algebraic[1]-(algebraic[4]*states[2]*states[3]+constants[3]*states[3]) algebraic[6] = constants[7]+constants[6]*(power(states[1]/algebraic[0], 2.00000)) rates[4] = (algebraic[4]*states[2]*states[3]+constants[9]*constants[2]*states[1])-states[4]*algebraic[6] rates[1] = states[4]*algebraic[6]-(constants[9]*constants[2]*states[1]+constants[0]*states[1]) return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[0] = states[0]+states[2]+states[4]+states[1] algebraic[4] = 200.000/algebraic[0] algebraic[1] = (0.0150000*algebraic[0])/constants[4] algebraic[6] = constants[7]+constants[6]*(power(states[1]/algebraic[0], 2.00000)) algebraic[2] = states[3]+states[5]+states[4]+states[1] algebraic[3] = states[1]/algebraic[0] algebraic[5] = algebraic[2]/algebraic[0] 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)