Holds vector of SimDataPairs (experimental data and simulation results) for use in fitting. More...

Public Member Functions
void	addSimulationAndData (simulation_builder_t builder, const OutputData< double > &data, std::unique_ptr< OutputData< double >> uncertainties, double weight=1.0)
	Constructs simulation/data pair for later fit. More...

template<class T >
void	addSimulationAndData (PyBuilderCallback &callback, const T &data, double weight=1.0)
	Constructs simulation/data pair for later fit. More...

template<class T >
void	addSimulationAndData (PyBuilderCallback &callback, const T &data, const T &uncertainties, double weight=1.0)
	Constructs simulation/data pair for later fit. More...

virtual double	evaluate (const Fit::Parameters &params)

virtual std::vector< double >	evaluate_residuals (const Fit::Parameters &params)

size_t	numberOfFitElements () const

SimulationResult	simulationResult (size_t i_item=0) const
	Returns simulation result in the form of SimulationResult.

SimulationResult	experimentalData (size_t i_item=0) const
	Returns experimental data in the form of SimulationResult.

SimulationResult	uncertaintyData (size_t i_item=0) const
	Returns experimental data uncertainties in the form of SimulationResult.

SimulationResult	relativeDifference (size_t i_item=0) const
	Returns relative difference between simulation and experimental data in the form of SimulationResult.

SimulationResult	absoluteDifference (size_t i_item=0) const
	Returns absolute value of difference between simulation and experimental data in the form of SimulationResult.

std::vector< double >	experimental_array () const
	Returns one dimensional array representing merged experimental data. More...

std::vector< double >	simulation_array () const
	Returns one dimensional array representing merged simulated intensities data. More...

std::vector< double >	uncertainties () const
	Returns one-dimensional array representing merged data uncertainties. More...

std::vector< double >	weights_array () const
	Returns one-dimensional array representing merged user weights. More...

void	initPrint (int every_nth)
	Initializes printing to standard output on every_nth fit iteration.

void	initPlot (int every_nth, PyObserverCallback &callback)
	Initializes observer callback to be called on every_nth fit iteration.

IterationInfo	iterationInfo () const

Fit::MinimizerResult	minimizerResult () const

void	finalize (const Fit::MinimizerResult &result)
	Should be explicitely called on last iteration to notify all observers.

unsigned	fitObjectCount () const

void	run_simulations (const Fit::Parameters &params)

void	setChiSquaredModule (const IChiSquaredModule &module)

void	setObjectiveMetric (const std::string &metric)

void	setObjectiveMetric (const std::string &metric, const std::string &norm)
	Sets objective metric to the FitObjective. More...

bool	containsUncertainties (size_t i_item) const
	Returns true if the specified DataPair element contains uncertainties.

bool	allPairsHaveUncertainties () const
	Returns true if all the data pairs in FitObjective instance contain uncertainties.

const SimDataPair &	dataPair (size_t i_item=0) const
	Returns a reference to i-th SimDataPair.

void	initPlot (int every_nth, fit_observer_t observer)

bool	isCompleted () const

void	interruptFitting ()

bool	isInterrupted () const

bool	isFirstIteration () const

void	setObjectiveMetric (std::unique_ptr< ObjectiveMetric > metric)

Static Public Member Functions
static std::string	availableMetricOptions ()
	Returns available metrics and norms.

Detailed Description

Holds vector of SimDataPairs (experimental data and simulation results) for use in fitting.

Definition at line 33 of file FitObjective.h.

Member Function Documentation

◆ addSimulationAndData() [1/3]

void FitObjective::addSimulationAndData	(	simulation_builder_t	builder,
		const OutputData< double > &	data,
		std::unique_ptr< OutputData< double >>	uncertainties,
		double	weight = `1.0`
	)

Constructs simulation/data pair for later fit.

Parameters

builder	simulation builder capable of producing simulations
data	experimental data array
uncertainties	data uncertainties array
weight	weight of dataset in metric calculations

Definition at line 76 of file FitObjective.cpp.

◆ addSimulationAndData() [2/3]

template<class T >

void FitObjective::addSimulationAndData	(	PyBuilderCallback &	callback,
		const T &	data,
		double	weight = `1.0`
	)

inline

Constructs simulation/data pair for later fit.

Parameters

callback	simulation builder capable of producing simulations
data	experimental data array
weight	weight of dataset in metric calculations

Definition at line 51 of file FitObjective.h.

◆ addSimulationAndData() [3/3]

template<class T >

void FitObjective::addSimulationAndData	(	PyBuilderCallback &	callback,
		const T &	data,
		const T &	uncertainties,
		double	weight = `1.0`
	)

inline

Constructs simulation/data pair for later fit.

Parameters

callback	simulation builder capable of producing simulations
data	experimental data array
uncertainties	data uncertainties array
weight	weight of dataset in metric calculations

Definition at line 63 of file FitObjective.h.

◆ experimental_array()

std::vector< double > FitObjective::experimental_array ( ) const

Returns one dimensional array representing merged experimental data.

The area outside of the region of interest is not included, masked data is nullified.

Definition at line 144 of file FitObjective.cpp.

◆ simulation_array()

std::vector< double > FitObjective::simulation_array ( ) const

Returns one dimensional array representing merged simulated intensities data.

The area outside of the region of interest is not included, masked data is nullified.

Definition at line 151 of file FitObjective.cpp.

◆ uncertainties()

std::vector< double > FitObjective::uncertainties ( ) const

Returns one-dimensional array representing merged data uncertainties.

The area outside of the region of interest is not included, masked data is nullified.

Definition at line 158 of file FitObjective.cpp.

◆ weights_array()

std::vector< double > FitObjective::weights_array ( ) const

Returns one-dimensional array representing merged user weights.

The area outside of the region of interest is not included, masked data is nullified.

Definition at line 165 of file FitObjective.cpp.

◆ setObjectiveMetric()

void FitObjective::setObjectiveMetric	(	const std::string &	metric,
		const std::string &	norm
	)

Sets objective metric to the FitObjective.

Parameters

metric	metric name
norm	metric norm name (defaults to L2-norm)

Definition at line 266 of file FitObjective.cpp.

The documentation for this class was generated from the following files:

/home/www/ba/Core/Fitting/FitObjective.h
/home/www/ba/Core/Fitting/FitObjective.cpp

Public Member Functions

Static Public Member Functions

Detailed Description

Member Function Documentation

◆ addSimulationAndData() [1/3]

◆ addSimulationAndData() [2/3]

◆ addSimulationAndData() [3/3]

◆ experimental_array()

◆ simulation_array()

◆ uncertainties()

◆ weights_array()

◆ setObjectiveMetric()