FitObjective Class Reference

Collaboration diagram for FitObjective:

Public Member Functions
	FitObjective ()
virtual	~FitObjective ()
void	addSimulationAndData (simulation_builder_t builder, const OutputData< double > &data, std::unique_ptr< OutputData< double >> uncertainties, double weight=1.0)
template<class T >
void	addSimulationAndData (PyBuilderCallback &callback, const T &data, double weight=1.0)
template<class T >
void	addSimulationAndData (PyBuilderCallback &callback, const T &data, const T &uncertainties, double weight=1.0)
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
SimulationResult	experimentalData (size_t i_item=0) const
SimulationResult	uncertaintyData (size_t i_item=0) const
SimulationResult	relativeDifference (size_t i_item=0) const
SimulationResult	absoluteDifference (size_t i_item=0) const
std::vector< double >	experimental_array () const
std::vector< double >	simulation_array () const
std::vector< double >	uncertainties () const
std::vector< double >	weights_array () const
void	initPrint (int every_nth)
void	initPlot (int every_nth, PyObserverCallback &callback)
IterationInfo	iterationInfo () const
Fit::MinimizerResult	minimizerResult () const
void	finalize (const Fit::MinimizerResult &result)
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)
bool	containsUncertainties (size_t i_item) const
bool	allPairsHaveUncertainties () const
const SimDataPair &	dataPair (size_t i_item=0) const
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 ()

Private Types
typedef std::vector< double >(SimDataPair::*	DataPairAccessor) () const

Private Member Functions
std::vector< double >	composeArray (DataPairAccessor getter) const
size_t	check_index (size_t index) const

Static Private Member Functions
static simulation_builder_t	simulationBuilder (PyBuilderCallback &callback)

Private Attributes
std::vector< SimDataPair >	m_fit_objects
std::unique_ptr< IMetricWrapper >	m_metric_module
std::unique_ptr< FitStatus >	m_fit_status

Detailed Description

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

Definition at line 33 of file FitObjective.h.

Member Typedef Documentation

DataPairAccessor

typedef std::vector<double>(SimDataPair::* FitObjective::DataPairAccessor) () const

private

Definition at line 135 of file FitObjective.h.

Constructor & Destructor Documentation

FitObjective()

FitObjective::FitObjective

(

)

Definition at line 62 of file FitObjective.cpp.

    : m_metric_module(
        std::make_unique<ObjectiveMetricWrapper>(std::make_unique<PoissonLikeMetric>())),
      m_fit_status(std::make_unique<FitStatus>(this))
{
}

~FitObjective()

FitObjective::~FitObjective ( )

virtualdefault

Member Function Documentation

simulationBuilder()

simulation_builder_t FitObjective::simulationBuilder ( PyBuilderCallback &  callback )

staticprivate

Definition at line 52 of file FitObjective.cpp.

{
    return [&callback](const Fit::Parameters& params) {
        auto simulation = callback.build_simulation(params);
        std::unique_ptr<Simulation> clone(simulation->clone());
        delete simulation; // deleting Python object
        return clone;
    };
}

References PyBuilderCallback::build_simulation().

Referenced by addSimulationAndData().

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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.

{
    m_fit_objects.emplace_back(builder, data, std::move(uncertainties), weight);
}

References m_fit_objects, and uncertainties().

Referenced by addSimulationAndData().

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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(simulationBuilder(callback), *ArrayUtils::createData(data), nullptr,
                             weight);
    }

References addSimulationAndData(), ArrayUtils::createData(), and simulationBuilder().

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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.

    {
        addSimulationAndData(simulationBuilder(callback), *ArrayUtils::createData(data),
                             ArrayUtils::createData(uncertainties), weight);
    }

References addSimulationAndData(), ArrayUtils::createData(), simulationBuilder(), and uncertainties().

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evaluate()

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

virtual

Definition at line 84 of file FitObjective.cpp.

{
    run_simulations(params);
    const double metric_value = m_metric_module->compute(m_fit_objects, params.size());
    m_fit_status->update(params, metric_value);
    return metric_value;
}

References m_fit_objects, m_fit_status, m_metric_module, run_simulations(), and Fit::Parameters::size().

Referenced by evaluate_residuals().

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evaluate_residuals()

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

virtual

Definition at line 92 of file FitObjective.cpp.

{
    evaluate(params);
 
    std::vector<double> result = experimental_array(); // init result with experimental data values
    const std::vector<double> sim_values = simulation_array();
    std::transform(result.begin(), result.end(), sim_values.begin(), result.begin(),
                   [](double lhs, double rhs) { return lhs - rhs; });
    return result;
}

References evaluate(), experimental_array(), and simulation_array().

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numberOfFitElements()

size_t FitObjective::numberOfFitElements

(

)

const

Definition at line 103 of file FitObjective.cpp.

{
    return std::accumulate(
        m_fit_objects.begin(), m_fit_objects.end(), 0u,
        [](size_t acc, auto& obj) -> size_t { return acc + obj.numberOfFitElements(); });
}

References m_fit_objects.

Referenced by composeArray().

simulationResult()

SimulationResult FitObjective::simulationResult

(

size_t

i_item = 0

)

const

Returns simulation result in the form of SimulationResult.

Definition at line 111 of file FitObjective.cpp.

{
    return dataPair(i_item).simulationResult();
}

References dataPair(), and SimDataPair::simulationResult().

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experimentalData()

SimulationResult FitObjective::experimentalData

(

size_t

i_item = 0

)

const

Returns experimental data in the form of SimulationResult.

Definition at line 117 of file FitObjective.cpp.

{
    return dataPair(i_item).experimentalData();
}

References dataPair(), and SimDataPair::experimentalData().

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uncertaintyData()

SimulationResult FitObjective::uncertaintyData

(

size_t

i_item = 0

)

const

Returns experimental data uncertainties in the form of SimulationResult.

Definition at line 123 of file FitObjective.cpp.

{
    return dataPair(i_item).uncertainties();
}

References dataPair(), and SimDataPair::uncertainties().

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relativeDifference()

SimulationResult FitObjective::relativeDifference

(

size_t

i_item = 0

)

const

Returns relative difference between simulation and experimental data in the form of SimulationResult.

Definition at line 130 of file FitObjective.cpp.

{
    return dataPair(i_item).relativeDifference();
}

References dataPair(), and SimDataPair::relativeDifference().

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absoluteDifference()

SimulationResult FitObjective::absoluteDifference

(

size_t

i_item = 0

)

const

Returns absolute value of difference between simulation and experimental data in the form of SimulationResult.

Definition at line 137 of file FitObjective.cpp.

{
    return dataPair(i_item).absoluteDifference();
}

References SimDataPair::absoluteDifference(), and dataPair().

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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.

{
    return composeArray(&SimDataPair::experimental_array);
}

References composeArray(), and SimDataPair::experimental_array().

Referenced by evaluate_residuals().

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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.

{
    return composeArray(&SimDataPair::simulation_array);
}

References composeArray(), and SimDataPair::simulation_array().

Referenced by evaluate_residuals().

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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.

{
    return composeArray(&SimDataPair::uncertainties_array);
}

References composeArray(), and SimDataPair::uncertainties_array().

Referenced by addSimulationAndData().

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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.

{
    return composeArray(&SimDataPair::user_weights_array);
}

References composeArray(), and SimDataPair::user_weights_array().

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initPrint()

void FitObjective::initPrint

(

int

every_nth

)

Initializes printing to standard output on every_nth fit iteration.

Definition at line 175 of file FitObjective.cpp.

{
    m_fit_status->initPrint(every_nth);
}

References m_fit_status.

initPlot() [1/2]

void FitObjective::initPlot	(	int	every_nth,
		PyObserverCallback &	callback
	)

Initializes observer callback to be called on every_nth fit iteration.

Definition at line 185 of file FitObjective.cpp.

{
    fit_observer_t observer = [&](const FitObjective& objective) { callback.update(objective); };
    m_fit_status->addObserver(every_nth, observer);
}

References m_fit_status, and PyObserverCallback::update().

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iterationInfo()

IterationInfo FitObjective::iterationInfo

(

)

const

Definition at line 196 of file FitObjective.cpp.

{
    return m_fit_status->iterationInfo();
}

References m_fit_status.

Referenced by isFirstIteration(), FitPrintService::iterationHeaderString(), and FitPrintService::parameterString().

minimizerResult()

Fit::MinimizerResult FitObjective::minimizerResult

(

)

const

Definition at line 201 of file FitObjective.cpp.

{
    return m_fit_status->minimizerResult();
}

References m_fit_status.

Referenced by FitPrintService::fitResultString().

finalize()

void FitObjective::finalize

(

const Fit::MinimizerResult &

result

)

Should be explicitely called on last iteration to notify all observers.

Definition at line 206 of file FitObjective.cpp.

{
    m_fit_status->finalize(result);
}

References m_fit_status.

fitObjectCount()

unsigned FitObjective::fitObjectCount

(

)

const

Definition at line 211 of file FitObjective.cpp.

{
    return static_cast<unsigned>(m_fit_objects.size());
}

References m_fit_objects.

Referenced by allPairsHaveUncertainties().

run_simulations()

void FitObjective::run_simulations

(

const Fit::Parameters &

params

)

Definition at line 231 of file FitObjective.cpp.

{
    if (m_fit_status->isInterrupted())
        throw std::runtime_error("Fitting was interrupted by the user.");
 
    if (m_fit_objects.empty())
        throw std::runtime_error("FitObjective::run_simulations() -> Error. "
                                 "No simulation/data defined.");
 
    for (auto& obj : m_fit_objects)
        obj.runSimulation(params);
}

References m_fit_objects, and m_fit_status.

Referenced by evaluate().

setChiSquaredModule()

void FitObjective::setChiSquaredModule

(

const IChiSquaredModule &

module

)

Definition at line 244 of file FitObjective.cpp.

{
    std::cout << "Warning in FitObjective::setChiSquaredModule: setChiSquaredModule is deprecated "
                 "and will be removed in future versions. Please use "
                 "FitObjective::setObjectiveMetric instead."
              << std::endl;
 
    std::unique_ptr<IChiSquaredModule> chi_module(module.clone());
    m_metric_module = std::make_unique<ChiModuleWrapper>(std::move(chi_module));
}

References IChiSquaredModule::clone(), and m_metric_module.

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setObjectiveMetric() [1/3]

void FitObjective::setObjectiveMetric

(

const std::string &

metric

)

Definition at line 260 of file FitObjective.cpp.

{
    m_metric_module = std::make_unique<ObjectiveMetricWrapper>(
        ObjectiveMetricUtils::createMetric(metric, ObjectiveMetricUtils::defaultNormName()));
}

References ObjectiveMetricUtils::createMetric(), ObjectiveMetricUtils::defaultNormName(), and m_metric_module.

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setObjectiveMetric() [2/3]

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.

{
    m_metric_module =
        std::make_unique<ObjectiveMetricWrapper>(ObjectiveMetricUtils::createMetric(metric, norm));
}

References ObjectiveMetricUtils::createMetric(), and m_metric_module.

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containsUncertainties()

bool FitObjective::containsUncertainties

(

size_t

i_item

)

const

Returns true if the specified DataPair element contains uncertainties.

Definition at line 273 of file FitObjective.cpp.

{
    return dataPair(i_item).containsUncertainties();
}

References SimDataPair::containsUncertainties(), and dataPair().

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allPairsHaveUncertainties()

bool FitObjective::allPairsHaveUncertainties

(

)

const

Returns true if all the data pairs in FitObjective instance contain uncertainties.

Definition at line 279 of file FitObjective.cpp.

{
    bool result = true;
    for (size_t i = 0, size = fitObjectCount(); i < size; ++i)
        result = result && dataPair(i).containsUncertainties();
    return result;
}

References SimDataPair::containsUncertainties(), dataPair(), and fitObjectCount().

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availableMetricOptions()

std::string FitObjective::availableMetricOptions ( )

static

Returns available metrics and norms.

Definition at line 288 of file FitObjective.cpp.

{
    return ObjectiveMetricUtils::availableMetricOptions();
}

References ObjectiveMetricUtils::availableMetricOptions().

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dataPair()

const SimDataPair & FitObjective::dataPair

(

size_t

i_item = 0

)

const

Returns a reference to i-th SimDataPair.

Definition at line 170 of file FitObjective.cpp.

{
    return m_fit_objects[check_index(i_item)];
}

References check_index(), and m_fit_objects.

Referenced by absoluteDifference(), allPairsHaveUncertainties(), containsUncertainties(), experimentalData(), relativeDifference(), simulationResult(), and uncertaintyData().

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initPlot() [2/2]

void FitObjective::initPlot	(	int	every_nth,
		fit_observer_t	observer
	)

Definition at line 180 of file FitObjective.cpp.

{
    m_fit_status->addObserver(every_nth, observer);
}

References m_fit_status.

isCompleted()

bool FitObjective::isCompleted

(

)

const

Definition at line 191 of file FitObjective.cpp.

{
    return m_fit_status->isCompleted();
}

References m_fit_status.

Referenced by FitPrintService::print().

interruptFitting()

void FitObjective::interruptFitting

(

)

Definition at line 216 of file FitObjective.cpp.

{
    m_fit_status->setInterrupted();
}

References m_fit_status.

isInterrupted()

bool FitObjective::isInterrupted

(

)

const

Definition at line 221 of file FitObjective.cpp.

{
    return m_fit_status->isInterrupted();
}

References m_fit_status.

isFirstIteration()

bool FitObjective::isFirstIteration

(

)

const

Definition at line 226 of file FitObjective.cpp.

{
    return iterationInfo().iterationCount() == 1;
}

References IterationInfo::iterationCount(), and iterationInfo().

Referenced by FitPrintService::print().

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setObjectiveMetric() [3/3]

void FitObjective::setObjectiveMetric

(

std::unique_ptr< ObjectiveMetric >

metric

)

Definition at line 255 of file FitObjective.cpp.

{
    m_metric_module = std::make_unique<ObjectiveMetricWrapper>(std::move(metric));
}

References m_metric_module.

composeArray()

std::vector< double > FitObjective::composeArray ( DataPairAccessor  getter ) const

private

Definition at line 293 of file FitObjective.cpp.

{
    const size_t n_objs = m_fit_objects.size();
    if (n_objs == 0)
        return {};
    if (n_objs == 1)
        return (m_fit_objects[0].*getter)();
 
    std::vector<double> result;
    result.reserve(numberOfFitElements());
    for (auto& pair : m_fit_objects) {
        std::vector<double> array = (pair.*getter)();
        std::move(array.begin(), array.end(), std::back_inserter(result));
    }
    return result;
}

References m_fit_objects, and numberOfFitElements().

Referenced by experimental_array(), simulation_array(), uncertainties(), and weights_array().

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check_index()

size_t FitObjective::check_index ( size_t  index ) const

private

Definition at line 310 of file FitObjective.cpp.

{
    if (index >= m_fit_objects.size())
        throw std::runtime_error("FitObjective::check_index() -> Index outside of range");
    return index;
}

References m_fit_objects.

Referenced by dataPair().

Member Data Documentation

m_fit_objects

std::vector<SimDataPair> FitObjective::m_fit_objects

private

Definition at line 140 of file FitObjective.h.

Referenced by addSimulationAndData(), check_index(), composeArray(), dataPair(), evaluate(), fitObjectCount(), numberOfFitElements(), and run_simulations().

m_metric_module

std::unique_ptr<IMetricWrapper> FitObjective::m_metric_module

private

Definition at line 141 of file FitObjective.h.

Referenced by evaluate(), setChiSquaredModule(), and setObjectiveMetric().

m_fit_status

std::unique_ptr<FitStatus> FitObjective::m_fit_status

private

Definition at line 142 of file FitObjective.h.

Referenced by evaluate(), finalize(), initPlot(), initPrint(), interruptFitting(), isCompleted(), isInterrupted(), iterationInfo(), minimizerResult(), and run_simulations().

---

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