# Size of variable arrays: sizeAlgebraic = 26 sizeStates = 8 sizeConstants = 35 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] = "RNA_Device1 in component SpeciesInitialConcentrations (nM)" legend_constants[1] = "TF in component SpeciesInitialConcentrations (nM)" legend_constants[2] = "TFS in component SpeciesInitialConcentrations (nM)" legend_constants[3] = "RNA_Device2 in component SpeciesInitialConcentrations (nM)" legend_constants[4] = "IC in component SpeciesInitialConcentrations (nM)" legend_constants[5] = "PhzS in component SpeciesInitialConcentrations (nM)" legend_constants[6] = "PhzM in component SpeciesInitialConcentrations (nM)" legend_constants[7] = "PYO in component SpeciesInitialConcentrations (nM)" legend_constants[34] = "JRNA in component Template_Promoter_Constitutive (nM_per_s)" legend_algebraic[6] = "JGain in component RNA_Device1_interface (nM_per_s)" legend_algebraic[0] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[7] = "J in component Template_ProteinCDS (nM_per_s)" legend_algebraic[12] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[17] = "J in component Template_RxR2P1Rev (nM_per_s)" legend_algebraic[22] = "JGain in component TF_interface (nM_per_s)" legend_constants[8] = "concentration in component S (nM)" legend_algebraic[25] = "JGain in component TFS_interface (nM_per_s)" legend_algebraic[23] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[2] = "JRNA in component Template_Promoter_Inductive (nM_per_s)" legend_algebraic[13] = "JGain in component RNA_Device2_interface (nM_per_s)" legend_algebraic[8] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[9] = "J in component Template_ProteinCDS (nM_per_s)" legend_algebraic[18] = "JGain in component PhzM_interface (nM_per_s)" legend_algebraic[14] = "J in component Template_RxR1P1 (nM_per_s)" legend_constants[9] = "concentration in component PCA (nM)" legend_algebraic[4] = "J in component Template_RxR1P1MM (nM_per_s)" legend_algebraic[19] = "JGain in component IC_interface (nM_per_s)" legend_algebraic[10] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[15] = "J in component Template_RxR1P1MM (nM_per_s)" legend_algebraic[11] = "J in component Template_ProteinCDS (nM_per_s)" legend_algebraic[20] = "JGain in component PhzS_interface (nM_per_s)" legend_algebraic[16] = "J in component Template_RxR1P1 (nM_per_s)" legend_algebraic[24] = "JGain in component PYO_interface (nM_per_s)" legend_algebraic[21] = "J in component Template_RxR1P1 (nM_per_s)" legend_constants[10] = "cellVolume in component Chassis_EColi (femtoliter)" legend_voi = "time in component Time (second)" legend_constants[11] = "k in component ElectrEcoBluDevice1_Promoter (PoPs)" legend_states[0] = "concentration in component Template_Species (nM)" legend_constants[12] = "kDecay in component Bioenvironment_Degradation_ElectrEcoBluDevice1RNA (per_s)" legend_algebraic[1] = "RNARiPs in component Template_RBS (RiPsInAttoMoles)" legend_constants[13] = "k in component ElectrEcoBluDevice1_RBS (RiPs)" legend_states[1] = "concentration in component Template_Species (nM)" legend_constants[14] = "kDecay in component Bioenvironment_Degradation_TF (per_s)" legend_constants[15] = "kf in component Bioenvironment_RxR2P1Rev_TFSFormation (per_nM_per_s)" legend_constants[16] = "kb in component Bioenvironment_RxR2P1Rev_TFSFormation (per_s)" legend_states[2] = "concentration in component Template_Species (nM)" legend_constants[17] = "kDecay in component Bioenvironment_Degradation_TFS (per_s)" legend_constants[18] = "k in component ElectrEcoBluDevice2_Promoter (PoPs)" legend_constants[19] = "Km in component ElectrEcoBluDevice2_Promoter (nM)" legend_constants[20] = "n in component ElectrEcoBluDevice2_Promoter (dimensionless)" legend_states[3] = "concentration in component Template_Species (nM)" legend_constants[21] = "kDecay in component Bioenvironment_Degradation_ElectrEcoBluDevice2RNA (per_s)" legend_algebraic[3] = "RNARiPs in component Template_RBS (RiPsInAttoMoles)" legend_constants[22] = "k in component ElectrEcoBluDevice2_RBS_PhzM (RiPs)" legend_algebraic[5] = "RNARiPs in component Template_RBS (RiPsInAttoMoles)" legend_constants[23] = "k in component ElectrEcoBluDevice2_RBS_PhzS (RiPs)" legend_states[4] = "concentration in component Template_Species (nM)" legend_constants[24] = "kDecay in component Bioenvironment_Degradation_PhzM (per_s)" legend_constants[25] = "k in component Bioenvironment_RxR1P1MM_ICFormation (per_s)" legend_constants[26] = "Km in component Bioenvironment_RxR1P1MM_ICFormation (nM)" legend_states[5] = "concentration in component Template_Species (nM)" legend_constants[27] = "kDecay in component Bioenvironment_Degradation_IC (per_s)" legend_states[6] = "concentration in component Template_Species (nM)" legend_constants[28] = "kDecay in component Bioenvironment_Degradation_PhzS (per_s)" legend_constants[29] = "k in component Bioenvironment_RxR1P1MM_PYOFormation (per_s)" legend_constants[30] = "Km in component Bioenvironment_RxR1P1MM_PYOFormation (nM)" legend_states[7] = "concentration in component Template_Species (nM)" legend_constants[31] = "kDecay in component Bioenvironment_Degradation_PYO (per_s)" legend_constants[32] = "avogadrosConstant in component Template_Promoter_Constitutive (per_mole)" legend_constants[33] = "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)" legend_rates[7] = "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] = 0 constants[1] = 8621 constants[2] = 0 constants[3] = 0 constants[4] = 0 constants[5] = 0 constants[6] = 0 constants[7] = 0 constants[8] = 5000 constants[9] = 2 constants[10] = 1 constants[11] = 1.085 constants[12] = 0.05 constants[13] = 1.4 constants[14] = 5.8e-3 constants[15] = 1e3 constants[16] = 4e6 constants[17] = 3.851e-4 constants[18] = 89 constants[19] = 15000 constants[20] = 1 constants[21] = 8e-6 constants[22] = 40 constants[23] = 1 constants[24] = 8e-1 constants[25] = 0.2 constants[26] = 0.1 constants[27] = 5e-5 constants[28] = 8e-1 constants[29] = 1 constants[30] = 0.1 constants[31] = 5e-1 constants[32] = 6.0221415e23 constants[33] = 6.0221415e23 constants[34] = constants[11]*1.00000e+09/(constants[10]*1.00000e-15*constants[32]) states[0] = constants[0] states[1] = constants[1] states[2] = constants[2] states[3] = constants[3] states[4] = constants[6] states[5] = constants[4] states[6] = constants[5] states[7] = constants[7] return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic algebraic[0] = constants[12]*states[0] algebraic[6] = constants[34]-algebraic[0] rates[0] = algebraic[6] algebraic[2] = constants[18]*states[2]**constants[20]/(constants[19]**constants[20]+states[2]**constants[20])*1.00000e+09/(constants[10]*1.00000e-15*constants[33]) algebraic[8] = constants[21]*states[3] algebraic[13] = algebraic[2]-algebraic[8] rates[3] = algebraic[13] algebraic[3] = 1.00000e+09*constants[22]*states[3]*constants[10]*1.00000e-15 algebraic[9] = 1.00000e+06*algebraic[3]/constants[10] algebraic[14] = constants[24]*states[4] algebraic[18] = algebraic[9]-algebraic[14] rates[4] = algebraic[18] algebraic[4] = constants[25]*states[4]*constants[9]/(constants[9]+constants[26]) algebraic[10] = constants[27]*states[5] algebraic[15] = constants[29]*states[6]*states[5]/(states[5]+constants[30]) algebraic[19] = algebraic[4]-algebraic[10]-algebraic[15] rates[5] = algebraic[19] algebraic[5] = 1.00000e+09*constants[23]*states[3]*constants[10]*1.00000e-15 algebraic[11] = 1.00000e+06*algebraic[5]/constants[10] algebraic[16] = constants[28]*states[6] algebraic[20] = algebraic[11]-algebraic[16] rates[6] = algebraic[20] algebraic[1] = 1.00000e+09*constants[13]*states[0]*constants[10]*1.00000e-15 algebraic[7] = 1.00000e+06*algebraic[1]/constants[10] algebraic[12] = constants[14]*states[1] algebraic[17] = states[1]*constants[8]*constants[15]-constants[16]*states[2] algebraic[22] = algebraic[7]-algebraic[12]-algebraic[17] rates[1] = algebraic[22] algebraic[21] = constants[31]*states[7] algebraic[24] = algebraic[15]-algebraic[21] rates[7] = algebraic[24] algebraic[23] = constants[17]*states[2] algebraic[25] = algebraic[17]-algebraic[23] rates[2] = algebraic[25] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[0] = constants[12]*states[0] algebraic[6] = constants[34]-algebraic[0] algebraic[2] = constants[18]*states[2]**constants[20]/(constants[19]**constants[20]+states[2]**constants[20])*1.00000e+09/(constants[10]*1.00000e-15*constants[33]) algebraic[8] = constants[21]*states[3] algebraic[13] = algebraic[2]-algebraic[8] algebraic[3] = 1.00000e+09*constants[22]*states[3]*constants[10]*1.00000e-15 algebraic[9] = 1.00000e+06*algebraic[3]/constants[10] algebraic[14] = constants[24]*states[4] algebraic[18] = algebraic[9]-algebraic[14] algebraic[4] = constants[25]*states[4]*constants[9]/(constants[9]+constants[26]) algebraic[10] = constants[27]*states[5] algebraic[15] = constants[29]*states[6]*states[5]/(states[5]+constants[30]) algebraic[19] = algebraic[4]-algebraic[10]-algebraic[15] algebraic[5] = 1.00000e+09*constants[23]*states[3]*constants[10]*1.00000e-15 algebraic[11] = 1.00000e+06*algebraic[5]/constants[10] algebraic[16] = constants[28]*states[6] algebraic[20] = algebraic[11]-algebraic[16] algebraic[1] = 1.00000e+09*constants[13]*states[0]*constants[10]*1.00000e-15 algebraic[7] = 1.00000e+06*algebraic[1]/constants[10] algebraic[12] = constants[14]*states[1] algebraic[17] = states[1]*constants[8]*constants[15]-constants[16]*states[2] algebraic[22] = algebraic[7]-algebraic[12]-algebraic[17] algebraic[21] = constants[31]*states[7] algebraic[24] = algebraic[15]-algebraic[21] algebraic[23] = constants[17]*states[2] algebraic[25] = algebraic[17]-algebraic[23] 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)