def TPR_integerated_simulationFunctionWrapperNineParameters(
nineParametersDiscreteParameterVector
): #We will remove the first two parameters for use within this fucntion.
discreteParameterVectorListRatioFirst = list(
nineParametersDiscreteParameterVector
) #making the list, then will pop it until RatioFirst.
scalingFactor = discreteParameterVectorListRatioFirst.pop(
0) #This removes first item.
backgroundOffset = discreteParameterVectorListRatioFirst.pop(
0) #This removes first item.
simulationOutput = TPR_simulationFunctionWrapperRatioFirst(
discreteParameterVectorListRatioFirst)
#print("line 64", simulationOutput)
negRate = neg_sum_of_all_rates(simulationOutput)
#print("line 66", negRate)
negRate = negRate - (
backgroundOffset
) #we've already gone to negative rate, so subtract the background without a negative 1.
#print("line 67", negRate)
negRate = scalingFactor * negRate
global times
from CheKiPEUQ import littleEulerGivenArray
times, integrated_desorption, negRate = littleEulerGivenArray(
0, times, negRate)
return integrated_desorption
def TPR_integerated_simulationFunctionWrapperPiecewise(discreteParameterVector):
simulationOutput = TPR_simulationFunctionWrapperPiecewise(discreteParameterVector)
rate = neg_sum_of_all_rates(simulationOutput)
global times
from CheKiPEUQ import littleEulerGivenArray
times, integrated_desorption, rate = littleEulerGivenArray(0, times, rate)
return integrated_desorption
def TPR_integerated_simulationFunctionWrapper(discreteParameterVector):
simulationOutput = TPR_simulationFunctionWrapper(discreteParameterVector)
rate = no_log_wrapper_func(simulationOutput)
global times
from CheKiPEUQ import littleEulerGivenArray
times, integrated_desorption, rate = littleEulerGivenArray(0, times, rate)
return integrated_desorption
def import_integrals_settings(Filename):
times, experiment_rates, experiment_rates_uncertainties = import_experimental_settings(
Filename)
from CheKiPEUQ import littleEulerGivenArray, littleEulerUncertaintyPropagation
times, integrated_desorption, experiment_rates = littleEulerGivenArray(
0, times, experiment_rates)
integrated_desorption_uncertainties = littleEulerUncertaintyPropagation(
experiment_rates_uncertainties, times,
0) #The 0.2 is an initial coverage uncertainty.
return times, integrated_desorption, integrated_desorption_uncertainties
def integrated_cantera_simulation_wrapper_example6(discreteParameterVector):
simulationOutput = cantera_simulation_wrapper_example6(
discreteParameterVector)
rate = simulationOutput #This has already been interpolated to observed x values.
global times
global observed_x_values
from CheKiPEUQ import littleEulerGivenArray
times, integrated_desorption, rate = littleEulerGivenArray(
0, observed_x_values, rate)
return integrated_desorption
