FitObjective Class Reference

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

Public Member Functions
	FitObjective ()
virtual	~FitObjective ()
SimulationResult	absoluteDifference (size_t i_item=0) const
	Returns absolute value of difference between simulation and experimental data in the form of SimulationResult. 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...
template<class T >
void	addSimulationAndData (PyBuilderCallback &callback, const T &data, double weight=1.0)
	Constructs simulation/data pair for later fit. More...
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...
bool	allPairsHaveUncertainties () const
	Returns true if all the data pairs in FitObjective instance contain uncertainties. More...
bool	containsUncertainties (size_t i_item) const
	Returns true if the specified DataPair element contains uncertainties. More...
const SimDataPair &	dataPair (size_t i_item=0) const
	Returns a reference to i-th SimDataPair. More...
virtual double	evaluate (const mumufit::Parameters &params)
virtual std::vector< double >	evaluate_residuals (const mumufit::Parameters &params)
std::vector< double >	experimental_array () const
	Returns one dimensional array representing merged experimental data. More...
SimulationResult	experimentalData (size_t i_item=0) const
	Returns experimental data in the form of SimulationResult. More...
void	finalize (const mumufit::MinimizerResult &result)
	Should be explicitely called on last iteration to notify all observers. More...
unsigned	fitObjectCount () const
void	initPlot (int every_nth, fit_observer_t observer)
void	initPlot (int every_nth, PyObserverCallback &callback)
	Initializes observer callback to be called on every_nth fit iteration. More...
void	initPrint (int every_nth)
	Initializes printing to standard output on every_nth fit iteration. More...
void	interruptFitting ()
bool	isCompleted () const
bool	isFirstIteration () const
bool	isInterrupted () const
IterationInfo	iterationInfo () const
mumufit::MinimizerResult	minimizerResult () const
size_t	numberOfFitElements () const
SimulationResult	relativeDifference (size_t i_item=0) const
	Returns relative difference between simulation and experimental data in the form of SimulationResult. More...
void	run_simulations (const mumufit::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...
void	setObjectiveMetric (std::unique_ptr< ObjectiveMetric > metric)
std::vector< double >	simulation_array () const
	Returns one dimensional array representing merged simulated intensities data. More...
SimulationResult	simulationResult (size_t i_item=0) const
	Returns simulation result in the form of SimulationResult. More...
std::vector< double >	uncertainties () const
	Returns one-dimensional array representing merged data uncertainties. More...
SimulationResult	uncertaintyData (size_t i_item=0) const
	Returns experimental data uncertainties in the form of SimulationResult. More...
std::vector< double >	weights_array () const
	Returns one-dimensional array representing merged user weights. More...

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

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

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

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

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

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 134 of file FitObjective.h.

Constructor & Destructor Documentation

FitObjective()

FitObjective::FitObjective

(

)

Definition at line 59 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

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 134 of file FitObjective.cpp.

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

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

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addSimulationAndData() [1/3]

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 62 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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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 50 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]

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 73 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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allPairsHaveUncertainties()

bool FitObjective::allPairsHaveUncertainties

(

)

const

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

Definition at line 276 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 285 of file FitObjective.cpp.

{
    return ObjectiveMetricUtils::availableMetricOptions();
}

References ObjectiveMetricUtils::availableMetricOptions().

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check_index()

size_t FitObjective::check_index ( size_t  index ) const

private

Definition at line 307 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().

composeArray()

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

private

Definition at line 290 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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containsUncertainties()

bool FitObjective::containsUncertainties

(

size_t

i_item

)

const

Returns true if the specified DataPair element contains uncertainties.

Definition at line 270 of file FitObjective.cpp.

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

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

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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 167 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(), uncertaintyData(), and GUIFitObserver::update().

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evaluate()

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

virtual

Definition at line 81 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 mumufit::Parameters::size().

Referenced by evaluate_residuals().

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evaluate_residuals()

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

virtual

Definition at line 89 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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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 141 of file FitObjective.cpp.

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

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

Referenced by evaluate_residuals().

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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 114 of file FitObjective.cpp.

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

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

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finalize()

void FitObjective::finalize

(

const mumufit::MinimizerResult &

result

)

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

Definition at line 203 of file FitObjective.cpp.

{
    m_fit_status->finalize(result);
}

References m_fit_status.

fitObjectCount()

unsigned FitObjective::fitObjectCount

(

)

const

Definition at line 208 of file FitObjective.cpp.

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

References m_fit_objects.

Referenced by allPairsHaveUncertainties().

initPlot() [1/2]

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

Definition at line 177 of file FitObjective.cpp.

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

References m_fit_status.

initPlot() [2/2]

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

Initializes observer callback to be called on every_nth fit iteration.

Definition at line 182 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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initPrint()

void FitObjective::initPrint

(

int

every_nth

)

Initializes printing to standard output on every_nth fit iteration.

Definition at line 172 of file FitObjective.cpp.

{
    m_fit_status->initPrint(every_nth);
}

References m_fit_status.

interruptFitting()

void FitObjective::interruptFitting

(

)

Definition at line 213 of file FitObjective.cpp.

{
    m_fit_status->setInterrupted();
}

References m_fit_status.

isCompleted()

bool FitObjective::isCompleted

(

)

const

Definition at line 188 of file FitObjective.cpp.

{
    return m_fit_status->isCompleted();
}

References m_fit_status.

Referenced by GUIFitObserver::is_obligatory_iteration(), GUIFitObserver::is_suitable_iteration(), FitPrintService::print(), and GUIFitObserver::update().

isFirstIteration()

bool FitObjective::isFirstIteration

(

)

const

Definition at line 223 of file FitObjective.cpp.

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

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

Referenced by GUIFitObserver::is_suitable_iteration(), and FitPrintService::print().

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isInterrupted()

bool FitObjective::isInterrupted

(

)

const

Definition at line 218 of file FitObjective.cpp.

{
    return m_fit_status->isInterrupted();
}

References m_fit_status.

Referenced by GUIFitObserver::is_suitable_iteration().

iterationInfo()

IterationInfo FitObjective::iterationInfo

(

)

const

Definition at line 193 of file FitObjective.cpp.

{
    return m_fit_status->iterationInfo();
}

References m_fit_status.

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

minimizerResult()

mumufit::MinimizerResult FitObjective::minimizerResult

(

)

const

Definition at line 198 of file FitObjective.cpp.

{
    return m_fit_status->minimizerResult();
}

References m_fit_status.

Referenced by FitPrintService::fitResultString(), and GUIFitObserver::update().

numberOfFitElements()

size_t FitObjective::numberOfFitElements

(

)

const

Definition at line 100 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().

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 127 of file FitObjective.cpp.

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

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

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run_simulations()

void FitObjective::run_simulations

(

const mumufit::Parameters &

params

)

Definition at line 228 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 241 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 257 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 263 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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setObjectiveMetric() [3/3]

void FitObjective::setObjectiveMetric

(

std::unique_ptr< ObjectiveMetric >

metric

)

Definition at line 252 of file FitObjective.cpp.

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

References m_metric_module.

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 148 of file FitObjective.cpp.

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

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

Referenced by evaluate_residuals().

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simulationBuilder()

simulation_builder_t FitObjective::simulationBuilder ( PyBuilderCallback &  callback )

staticprivate

Definition at line 49 of file FitObjective.cpp.

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

References PyBuilderCallback::build_simulation().

Referenced by addSimulationAndData().

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simulationResult()

SimulationResult FitObjective::simulationResult

(

size_t

i_item = 0

)

const

Returns simulation result in the form of SimulationResult.

Definition at line 108 of file FitObjective.cpp.

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

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

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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 155 of file FitObjective.cpp.

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

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

Referenced by addSimulationAndData().

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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 120 of file FitObjective.cpp.

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

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

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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 162 of file FitObjective.cpp.

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

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

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Member Data Documentation

m_fit_objects

std::vector<SimDataPair> FitObjective::m_fit_objects

private

Definition at line 139 of file FitObjective.h.

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

m_fit_status

std::unique_ptr<FitStatus> FitObjective::m_fit_status

private

Definition at line 141 of file FitObjective.h.

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

m_metric_module

std::unique_ptr<IMetricWrapper> FitObjective::m_metric_module

private

Definition at line 140 of file FitObjective.h.

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

---

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