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# Size of variable arrays: sizeAlgebraic = 3 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 = "time in component environment (minute)" legend_constants[0] = "VM2 in component parameters (micromolar_min)" legend_constants[1] = "VM3 in component parameters (micromolar_min)" legend_constants[2] = "KR in component parameters (micromolar)" legend_constants[3] = "KA in component parameters (micromolar)" legend_constants[4] = "KP in component parameters (micromolar)" legend_constants[5] = "n in component parameters (dimensionless)" legend_constants[6] = "m in component parameters (dimensionless)" legend_constants[7] = "p in component parameters (dimensionless)" legend_constants[8] = "kf in component parameters (per_minute)" legend_constants[9] = "k in component parameters (per_minute)" legend_states[0] = "Y in component insensitive_pool (micromolar)" legend_states[1] = "Z in component cytosol (micromolar)" legend_algebraic[0] = "v2 in component parameters (micromolar_min)" legend_algebraic[2] = "v3 in component parameters (micromolar_min)" legend_constants[10] = "v0 in component cytosol (micromolar_min)" legend_constants[11] = "v1beta in component cytosol (micromolar_min)" legend_constants[12] = "K1 in component phosphorylation (dimensionless)" legend_constants[13] = "K2 in component phosphorylation (dimensionless)" legend_constants[14] = "WT in component phosphorylation (micromolar)" legend_constants[18] = "vP in component phosphorylation (micromolar_min)" legend_algebraic[1] = "vK in component kinase_reaction (micromolar_min)" legend_constants[15] = "vMK in component kinase_reaction (micromolar_min)" legend_states[2] = "Wstar in component phosphorylation (dimensionless)" legend_constants[16] = "Ka in component kinase_reaction (micromolar)" legend_constants[17] = "q in component kinase_reaction (dimensionless)" legend_rates[1] = "d/dt Z in component cytosol (micromolar)" legend_rates[0] = "d/dt Y in component insensitive_pool (micromolar)" legend_rates[2] = "d/dt Wstar in component phosphorylation (dimensionless)" return (legend_states, legend_algebraic, legend_voi, legend_constants) def initConsts(): constants = [0.0] * sizeConstants; states = [0.0] * sizeStates; constants[0] = 65 constants[1] = 500 constants[2] = 2 constants[3] = 0.9 constants[4] = 1 constants[5] = 2 constants[6] = 2 constants[7] = 4 constants[8] = 1 constants[9] = 10 states[0] = 1.454 states[1] = 0.2281 constants[10] = 1 constants[11] = 2.4 constants[12] = 0.01 constants[13] = 0.01 constants[14] = 10 constants[15] = 100 states[2] = 0.8916 constants[16] = 1 constants[17] = 4 constants[18] = constants[15]*(0.890000/20.0000) return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic algebraic[1] = constants[15]*((power(states[1], constants[17]))/(power(constants[16], constants[17])+power(states[1], constants[17]))) rates[2] = (constants[18]/constants[14])*(((algebraic[1]/constants[18])*(1.00000-states[2]))/((constants[12]+1.00000)-states[2])-states[2]/(constants[13]+states[2])) algebraic[0] = (constants[0]*(power(states[1], constants[5])))/(power(constants[4], constants[5])+power(states[1], constants[5])) algebraic[2] = constants[1]*((power(states[0], constants[6]))/(power(constants[2], constants[6])+power(states[0], constants[6])))*((power(states[1], constants[7]))/(power(constants[3], constants[7])+power(states[1], constants[7]))) rates[1] = (((constants[10]+constants[11])-algebraic[0])+algebraic[2]+constants[8]*states[0])-constants[9]*states[1] rates[0] = (algebraic[0]-algebraic[2])-constants[8]*states[0] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[1] = constants[15]*((power(states[1], constants[17]))/(power(constants[16], constants[17])+power(states[1], constants[17]))) algebraic[0] = (constants[0]*(power(states[1], constants[5])))/(power(constants[4], constants[5])+power(states[1], constants[5])) algebraic[2] = constants[1]*((power(states[0], constants[6]))/(power(constants[2], constants[6])+power(states[0], constants[6])))*((power(states[1], constants[7]))/(power(constants[3], constants[7])+power(states[1], constants[7]))) 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)