# Size of variable arrays: sizeAlgebraic = 25 sizeStates = 7 sizeConstants = 30 from math import * from numpy import * def createLegends(): legend_states = [""] * sizeStates legend_rates = [""] * sizeStates legend_algebraic = [""] * sizeAlgebraic legend_voi = "" legend_constants = [""] * sizeConstants legend_constants[0] = "concentration in component Subtilin (nM)" legend_constants[1] = "RNA1 in component SpeciesInitialConcentrations (nM)" legend_constants[2] = "RNA2 in component SpeciesInitialConcentrations (nM)" legend_constants[3] = "spaK in component SpeciesInitialConcentrations (nM)" legend_constants[4] = "spaR in component SpeciesInitialConcentrations (nM)" legend_constants[5] = "spaKactive in component SpeciesInitialConcentrations (nM)" legend_constants[6] = "spaRactive in component SpeciesInitialConcentrations (nM)" legend_constants[7] = "GFP in component SpeciesInitialConcentrations (nM)" legend_constants[29] = "JRNA in component Template_Promoter_Constitutive (nM_per_s)" legend_algebraic[4] = "JGain in component RNA1_interface (nM_per_s)" legend_algebraic[0] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[11] = "J in component Template_ProteinCDS (nM_per_s)" legend_algebraic[18] = "J in component Template_RxR2P1 (nM_per_s)" legend_algebraic[15] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[13] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[14] = "J in component Template_RxR2P1 (nM_per_s)" legend_algebraic[19] = "JGain in component spaK_interface (nM_per_s)" legend_algebraic[16] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[20] = "JGain in component spaKactive_interface (nM_per_s)" legend_algebraic[5] = "J in component Template_ProteinCDS (nM_per_s)" legend_algebraic[17] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[21] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[22] = "JGain in component spaR_interface (nM_per_s)" legend_algebraic[23] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[24] = "JGain in component spaRactive_interface (nM_per_s)" legend_algebraic[2] = "JRNA in component Template_Promoter_Inductive (nM_per_s)" legend_algebraic[9] = "JGain in component RNA2_interface (nM_per_s)" legend_algebraic[6] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[7] = "J in component Template_ProteinCDS (nM_per_s)" legend_algebraic[12] = "JGain in component GFP_interface (nM_per_s)" legend_algebraic[10] = "J in component Template_RxR1P1 (nM_per_s)" legend_constants[8] = "cellVolume in component Chassis_Bacillus (femtoliter)" legend_voi = "time in component Time (second)" legend_constants[9] = "k in component Bugbuster_Promoter1 (PoPs)" legend_states[0] = "concentration in component Template_Species (nM)" legend_constants[10] = "kDecay in component Bioenvironment_Degradation_BugbusterRNA1 (per_s)" legend_algebraic[1] = "RNARiPs in component Template_RBS (RiPsInAttoMoles)" legend_constants[11] = "k in component Bugbuster_RBS_spaR (RiPs)" legend_algebraic[8] = "RNARiPs in component Template_RBS (RiPsInAttoMoles)" legend_constants[12] = "k in component Bugbuster_RBS_spaK (RiPs)" legend_states[1] = "concentration in component Template_Species (nM)" legend_constants[13] = "kDecay in component Bioenvironment_Degradation_spaK (per_s)" legend_constants[14] = "k in component Bioenvironment_RxR2P1_spaKActivation (per_nM_per_s)" legend_states[2] = "concentration in component Template_Species (nM)" legend_constants[15] = "k in component Bioenvironment_Dephosphorylation_spaKactive (per_s)" legend_constants[16] = "kDecay in component Bioenvironment_Degradation_spaKactive (per_s)" legend_states[3] = "concentration in component Template_Species (nM)" legend_constants[17] = "kDecay in component Bioenvironment_Degradation_spaR (per_s)" legend_constants[18] = "k in component Bioenvironment_RxR2P1_spaRActivation (per_nM_per_s)" legend_states[4] = "concentration in component Template_Species (nM)" legend_constants[19] = "k in component Bioenvironment_Dephosphorylation_spaRactive (per_s)" legend_constants[20] = "kDecay in component Bioenvironment_Degradation_spaRactive (per_s)" legend_constants[21] = "k in component Bugbuster_Promoter2 (PoPs)" legend_constants[22] = "n in component Bugbuster_Promoter2 (dimensionless)" legend_constants[23] = "Km in component Bugbuster_Promoter2 (nM)" legend_states[5] = "concentration in component Template_Species (nM)" legend_constants[24] = "kDecay in component Bioenvironment_Degradation_BugbusterRNA2 (per_s)" legend_algebraic[3] = "RNARiPs in component Template_RBS (RiPsInAttoMoles)" legend_constants[25] = "k in component Bugbuster_RBS_GFP (RiPs)" legend_states[6] = "concentration in component Template_Species (nM)" legend_constants[26] = "kDecay in component Bioenvironment_Degradation_GFP (per_s)" legend_constants[27] = "avogadrosConstant in component Template_Promoter_Constitutive (per_mole)" legend_constants[28] = "avogadrosConstant in component Template_Promoter_Inductive (per_mole)" legend_rates[0] = "d/dt concentration in component Template_Species (nM)" legend_rates[1] = "d/dt concentration in component Template_Species (nM)" legend_rates[2] = "d/dt concentration in component Template_Species (nM)" legend_rates[3] = "d/dt concentration in component Template_Species (nM)" legend_rates[4] = "d/dt concentration in component Template_Species (nM)" legend_rates[5] = "d/dt concentration in component Template_Species (nM)" legend_rates[6] = "d/dt concentration in component Template_Species (nM)" return (legend_states, legend_algebraic, legend_voi, legend_constants) def initConsts(): constants = [0.0] * sizeConstants; states = [0.0] * sizeStates; constants[0] = 1000 constants[1] = 0 constants[2] = 0 constants[3] = 0 constants[4] = 0 constants[5] = 0 constants[6] = 0 constants[7] = 0 constants[8] = 1 constants[9] = 0.04 constants[10] = 0.0058 constants[11] = 0.1 constants[12] = 0.1818 constants[13] = 0.0012 constants[14] = 1e-4 constants[15] = 0.1 constants[16] = 0.0012 constants[17] = 0.0012 constants[18] = 1e-4 constants[19] = 0.1 constants[20] = 0.0012 constants[21] = 0.04 constants[22] = 2 constants[23] = 320 constants[24] = 0.0058 constants[25] = 0.145 constants[26] = 0.0012 constants[27] = 6.0221415e23 constants[28] = 6.0221415e23 constants[29] = constants[9]*1.00000e+09/(constants[8]*1.00000e-15*constants[27]) states[0] = constants[1] states[1] = constants[3] states[2] = constants[5] states[3] = constants[4] states[4] = constants[6] states[5] = constants[2] states[6] = constants[7] return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic algebraic[0] = constants[10]*states[0] algebraic[4] = constants[29]-algebraic[0] rates[0] = algebraic[4] algebraic[2] = constants[21]*states[4]**constants[22]/(constants[23]**constants[22]+states[4]**constants[22])*1.00000e+09/(constants[8]*1.00000e-15*constants[28]) algebraic[6] = constants[24]*states[5] algebraic[9] = algebraic[2]-algebraic[6] rates[5] = algebraic[9] algebraic[3] = 1.00000e+09*constants[25]*states[5]*constants[8]*1.00000e-15 algebraic[7] = 1.00000e+06*algebraic[3]/constants[8] algebraic[10] = constants[26]*states[6] algebraic[12] = algebraic[7]-algebraic[10] rates[6] = algebraic[12] algebraic[8] = 1.00000e+09*constants[12]*states[0]*constants[8]*1.00000e-15 algebraic[11] = 1.00000e+06*algebraic[8]/constants[8] algebraic[18] = states[2]*states[3]*constants[18] algebraic[15] = constants[15]*states[2] algebraic[13] = constants[13]*states[1] algebraic[14] = constants[0]*states[1]*constants[14] algebraic[19] = algebraic[11]+algebraic[18]+algebraic[15]-(algebraic[14]+algebraic[13]) rates[1] = algebraic[19] algebraic[16] = constants[16]*states[2] algebraic[20] = algebraic[14]-algebraic[16]+algebraic[15]+algebraic[18] rates[2] = algebraic[20] algebraic[1] = 1.00000e+09*constants[11]*states[0]*constants[8]*1.00000e-15 algebraic[5] = 1.00000e+06*algebraic[1]/constants[8] algebraic[17] = constants[17]*states[3] algebraic[21] = constants[19]*states[4] algebraic[22] = algebraic[5]+algebraic[21]-(algebraic[17]+algebraic[18]) rates[3] = algebraic[22] algebraic[23] = constants[20]*states[4] algebraic[24] = algebraic[18]-algebraic[23]+algebraic[21] rates[4] = algebraic[24] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[0] = constants[10]*states[0] algebraic[4] = constants[29]-algebraic[0] algebraic[2] = constants[21]*states[4]**constants[22]/(constants[23]**constants[22]+states[4]**constants[22])*1.00000e+09/(constants[8]*1.00000e-15*constants[28]) algebraic[6] = constants[24]*states[5] algebraic[9] = algebraic[2]-algebraic[6] algebraic[3] = 1.00000e+09*constants[25]*states[5]*constants[8]*1.00000e-15 algebraic[7] = 1.00000e+06*algebraic[3]/constants[8] algebraic[10] = constants[26]*states[6] algebraic[12] = algebraic[7]-algebraic[10] algebraic[8] = 1.00000e+09*constants[12]*states[0]*constants[8]*1.00000e-15 algebraic[11] = 1.00000e+06*algebraic[8]/constants[8] algebraic[18] = states[2]*states[3]*constants[18] algebraic[15] = constants[15]*states[2] algebraic[13] = constants[13]*states[1] algebraic[14] = constants[0]*states[1]*constants[14] algebraic[19] = algebraic[11]+algebraic[18]+algebraic[15]-(algebraic[14]+algebraic[13]) algebraic[16] = constants[16]*states[2] algebraic[20] = algebraic[14]-algebraic[16]+algebraic[15]+algebraic[18] algebraic[1] = 1.00000e+09*constants[11]*states[0]*constants[8]*1.00000e-15 algebraic[5] = 1.00000e+06*algebraic[1]/constants[8] algebraic[17] = constants[17]*states[3] algebraic[21] = constants[19]*states[4] algebraic[22] = algebraic[5]+algebraic[21]-(algebraic[17]+algebraic[18]) algebraic[23] = constants[20]*states[4] algebraic[24] = algebraic[18]-algebraic[23]+algebraic[21] 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)