SimDataPair Class Reference

Collaboration diagram for SimDataPair:

Public Member Functions
	SimDataPair (simulation_builder_t builder, const OutputData< double > &data, std::unique_ptr< OutputData< double >> uncertainties, double user_weight=1.0)
	SimDataPair (simulation_builder_t builder, const OutputData< double > &data, std::unique_ptr< OutputData< double >> uncertainties, std::unique_ptr< OutputData< double >> user_weights)
	SimDataPair (SimDataPair &&other)
	~SimDataPair ()
void	runSimulation (const Fit::Parameters &params)
bool	containsUncertainties () const
size_t	numberOfFitElements () const
SimulationResult	simulationResult () const
SimulationResult	experimentalData () const
SimulationResult	uncertainties () const
SimulationResult	userWeights () const
SimulationResult	relativeDifference () const
SimulationResult	absoluteDifference () const
std::vector< double >	simulation_array () const
std::vector< double >	experimental_array () const
std::vector< double >	uncertainties_array () const
std::vector< double >	user_weights_array () const

Private Member Functions
void	initResultArrays ()
void	validate () const

Private Attributes
simulation_builder_t	m_simulation_builder
std::unique_ptr< Simulation >	m_simulation
SimulationResult	m_sim_data
SimulationResult	m_exp_data
SimulationResult	m_uncertainties
SimulationResult	m_user_weights
std::unique_ptr< OutputData< double > >	m_raw_data
std::unique_ptr< OutputData< double > >	m_raw_uncertainties
std::unique_ptr< OutputData< double > >	m_raw_user_weights

Detailed Description

Holds pair of simulation/experimental data to fit.

Definition at line 25 of file SimDataPair.h.

Constructor & Destructor Documentation

SimDataPair() [1/3]

SimDataPair::SimDataPair	(	simulation_builder_t	builder,
		const OutputData< double > &	data,
		std::unique_ptr< OutputData< double >>	uncertainties,
		double	user_weight = 1.0
	)

Definition at line 39 of file SimDataPair.cpp.

    : m_simulation_builder(builder), m_raw_data(data.clone()),
      m_raw_uncertainties(std::move(uncertainties))
{
    m_raw_user_weights = initUserWeights(*m_raw_data, user_weight);
    validate();
}

References anonymous_namespace{SimDataPair.cpp}::initUserWeights(), m_raw_data, m_raw_user_weights, and validate().

Here is the call graph for this function:

SimDataPair() [2/3]

SimDataPair::SimDataPair	(	simulation_builder_t	builder,
		const OutputData< double > &	data,
		std::unique_ptr< OutputData< double >>	uncertainties,
		std::unique_ptr< OutputData< double >>	user_weights
	)

Definition at line 48 of file SimDataPair.cpp.

    : m_simulation_builder(builder), m_raw_data(data.clone()),
      m_raw_uncertainties(std::move(uncertainties)), m_raw_user_weights(std::move(user_weights))
{
    if (!m_raw_user_weights)
        m_raw_user_weights = initUserWeights(*m_raw_data, 1.0);
    validate();
}

References anonymous_namespace{SimDataPair.cpp}::initUserWeights(), m_raw_data, m_raw_user_weights, and validate().

Here is the call graph for this function:

SimDataPair() [3/3]

SimDataPair::SimDataPair

(

SimDataPair &&

other

)

Definition at line 59 of file SimDataPair.cpp.

    : m_simulation_builder(std::move(other.m_simulation_builder)),
      m_simulation(std::move(other.m_simulation)), m_sim_data(std::move(other.m_sim_data)),
      m_exp_data(std::move(other.m_exp_data)), m_uncertainties(std::move(other.m_uncertainties)),
      m_user_weights(std::move(other.m_user_weights)), m_raw_data(std::move(other.m_raw_data)),
      m_raw_uncertainties(std::move(other.m_raw_uncertainties)),
      m_raw_user_weights(std::move(other.m_raw_user_weights))
{
    validate();
}

References validate().

Here is the call graph for this function:

~SimDataPair()

SimDataPair::~SimDataPair ( )

default

Member Function Documentation

runSimulation()

void SimDataPair::runSimulation

(

const Fit::Parameters &

params

)

Definition at line 72 of file SimDataPair.cpp.

{
    m_simulation = m_simulation_builder(params);
    m_simulation->runSimulation();
    m_sim_data = m_simulation->result();
 
    initResultArrays();
}

References initResultArrays(), m_sim_data, m_simulation, and m_simulation_builder.

Here is the call graph for this function:

containsUncertainties()

bool SimDataPair::containsUncertainties

(

)

const

Definition at line 81 of file SimDataPair.cpp.

{
    return static_cast<bool>(m_raw_uncertainties);
}

References m_raw_uncertainties.

Referenced by FitObjective::allPairsHaveUncertainties(), ObjectiveMetric::compute(), FitObjective::containsUncertainties(), and initResultArrays().

numberOfFitElements()

size_t SimDataPair::numberOfFitElements

(

)

const

Returns the number of elements in the fit area.

Definition at line 86 of file SimDataPair.cpp.

{
    return m_simulation ? m_simulation->intensityMapSize() : 0;
}

References m_simulation.

simulationResult()

SimulationResult SimDataPair::simulationResult

(

)

const

Returns the result of last computed simulation.

Definition at line 91 of file SimDataPair.cpp.

{
    if (m_sim_data.empty())
        throwInitializationException("simulationResult");
    return m_sim_data;
}

References SimulationResult::empty(), m_sim_data, and anonymous_namespace{SimDataPair.cpp}::throwInitializationException().

Referenced by RQ4Metric::compute(), and FitObjective::simulationResult().

Here is the call graph for this function:

experimentalData()

SimulationResult SimDataPair::experimentalData

(

)

const

Returns the experimental data cut to the ROI area.

Definition at line 98 of file SimDataPair.cpp.

{
    if (m_exp_data.empty())
        throwInitializationException("experimentalData");
    return m_exp_data;
}

References SimulationResult::empty(), m_exp_data, and anonymous_namespace{SimDataPair.cpp}::throwInitializationException().

Referenced by RQ4Metric::compute(), and FitObjective::experimentalData().

Here is the call graph for this function:

uncertainties()

SimulationResult SimDataPair::uncertainties

(

)

const

Returns the data uncertainties cut to the ROI area If no uncertainties present, returns zero-filled SimulationResult.

Definition at line 105 of file SimDataPair.cpp.

{
    if (m_uncertainties.empty())
        throwInitializationException("uncertainties");
    return m_uncertainties;
}

References SimulationResult::empty(), m_uncertainties, and anonymous_namespace{SimDataPair.cpp}::throwInitializationException().

Referenced by FitObjective::uncertaintyData().

Here is the call graph for this function:

userWeights()

SimulationResult SimDataPair::userWeights

(

)

const

Returns the user uncertainties cut to the ROI area.

Definition at line 113 of file SimDataPair.cpp.

{
    if (m_user_weights.empty())
        throwInitializationException("userWeights");
    return m_user_weights;
}

References SimulationResult::empty(), m_user_weights, and anonymous_namespace{SimDataPair.cpp}::throwInitializationException().

Here is the call graph for this function:

relativeDifference()

SimulationResult SimDataPair::relativeDifference

(

)

const

Returns the relative difference between simulated and experimental data cut to the ROI area.

Returns relative difference between simulation and experimental data.

Definition at line 122 of file SimDataPair.cpp.

{
    if (m_sim_data.size() == 0 || m_exp_data.size() == 0)
        throwInitializationException("relativeDifference");
 
    SimulationResult result = m_sim_data;
    for (size_t i = 0, size = result.size(); i < size; ++i)
        result[i] = Numeric::GetRelativeDifference(result[i], m_exp_data[i]);
 
    return result;
}

References Numeric::GetRelativeDifference(), m_exp_data, m_sim_data, SimulationResult::size(), and anonymous_namespace{SimDataPair.cpp}::throwInitializationException().

Referenced by FitObjective::relativeDifference().

Here is the call graph for this function:

absoluteDifference()

SimulationResult SimDataPair::absoluteDifference

(

)

const

Returns the absolute difference between simulated and experimental data cut to the ROI area.

Definition at line 134 of file SimDataPair.cpp.

{
    if (m_sim_data.size() == 0 || m_exp_data.size() == 0)
        throwInitializationException("absoluteDifference");
 
    SimulationResult result = m_sim_data;
    for (size_t i = 0, size = result.size(); i < size; ++i)
        result[i] = Numeric::GetAbsoluteDifference(result[i], m_exp_data[i]);
 
    return result;
}

References Numeric::GetAbsoluteDifference(), m_exp_data, m_sim_data, SimulationResult::size(), and anonymous_namespace{SimDataPair.cpp}::throwInitializationException().

Referenced by FitObjective::absoluteDifference().

Here is the call graph for this function:

simulation_array()

std::vector< double > SimDataPair::simulation_array

(

)

const

Returns the flattened simulated intensities cut to the ROI area.

Definition at line 153 of file SimDataPair.cpp.

{
    if (m_sim_data.empty())
        throwInitializationException("simulation_array");
    return m_sim_data.data()->getRawDataVector();
}

References SimulationResult::data(), SimulationResult::empty(), m_sim_data, and anonymous_namespace{SimDataPair.cpp}::throwInitializationException().

Referenced by ObjectiveMetric::compute(), and FitObjective::simulation_array().

Here is the call graph for this function:

experimental_array()

std::vector< double > SimDataPair::experimental_array

(

)

const

Returns the flattened experimental data cut to the ROI area.

Definition at line 146 of file SimDataPair.cpp.

{
    if (m_exp_data.empty())
        throwInitializationException("experimental_array");
    return m_exp_data.data()->getRawDataVector();
}

References SimulationResult::data(), SimulationResult::empty(), m_exp_data, and anonymous_namespace{SimDataPair.cpp}::throwInitializationException().

Referenced by ObjectiveMetric::compute(), and FitObjective::experimental_array().

Here is the call graph for this function:

uncertainties_array()

std::vector< double > SimDataPair::uncertainties_array

(

)

const

Returns the flattened experimental uncertainties cut to the ROI area.

If no uncertainties are available, returns a zero-filled array sized to the ROI area.

Definition at line 160 of file SimDataPair.cpp.

{
    if (m_uncertainties.empty())
        throwInitializationException("uncertainties_array");
    return m_uncertainties.data()->getRawDataVector();
}

References SimulationResult::data(), SimulationResult::empty(), m_uncertainties, and anonymous_namespace{SimDataPair.cpp}::throwInitializationException().

Referenced by ObjectiveMetric::compute(), and FitObjective::uncertainties().

Here is the call graph for this function:

user_weights_array()

std::vector< double > SimDataPair::user_weights_array

(

)

const

Returns a flat array of user weights cut to the ROI area.

Definition at line 167 of file SimDataPair.cpp.

{
    if (m_user_weights.empty())
        throwInitializationException("user_weights_array");
    return m_user_weights.data()->getRawDataVector();
}

References SimulationResult::data(), SimulationResult::empty(), m_user_weights, and anonymous_namespace{SimDataPair.cpp}::throwInitializationException().

Referenced by ObjectiveMetric::compute(), RQ4Metric::compute(), and FitObjective::weights_array().

Here is the call graph for this function:

initResultArrays()

void SimDataPair::initResultArrays ( )

private

Definition at line 174 of file SimDataPair.cpp.

{
    if (m_exp_data.size() != 0 && m_uncertainties.size() != 0 && m_user_weights.size() != 0)
        return;
 
    if (!m_simulation || m_sim_data.size() == 0)
        throwInitializationException("initResultArrays");
 
    m_exp_data = m_simulation->convertData(*m_raw_data, true);
 
    if (containsUncertainties()) {
        m_uncertainties = m_simulation->convertData(*m_raw_uncertainties, true);
    } else {
        const IUnitConverter& converter = m_sim_data.converter();
        std::unique_ptr<OutputData<double>> dummy_array =
            UnitConverterUtils::createOutputData(converter, converter.defaultUnits());
        m_uncertainties = SimulationResult(*dummy_array, converter);
    }
 
    m_user_weights = m_simulation->convertData(*m_raw_user_weights, true);
}

References containsUncertainties(), SimulationResult::converter(), UnitConverterUtils::createOutputData(), IUnitConverter::defaultUnits(), m_exp_data, m_raw_data, m_raw_uncertainties, m_raw_user_weights, m_sim_data, m_simulation, m_uncertainties, m_user_weights, SimulationResult::size(), and anonymous_namespace{SimDataPair.cpp}::throwInitializationException().

Referenced by runSimulation().

Here is the call graph for this function:

validate()

void SimDataPair::validate ( ) const

private

Definition at line 196 of file SimDataPair.cpp.

{
    if (!m_simulation_builder)
        throw std::runtime_error("Error in SimDataPair: simulation builder is empty");
 
    if (!m_raw_data)
        throw std::runtime_error("Error in SimDataPair: passed experimental data array is empty");
 
    if (m_raw_uncertainties && !m_raw_uncertainties->hasSameShape(*m_raw_data))
        throw std::runtime_error(
            "Error in SimDataPair: experimental data and uncertainties have different shape.");
 
    if (!m_raw_user_weights || !m_raw_user_weights->hasSameShape(*m_raw_data))
        throw std::runtime_error(
            "Error in SimDataPair: user weights are not initialized or have invalid shape");
}

References m_raw_data, m_raw_uncertainties, m_raw_user_weights, and m_simulation_builder.

Referenced by SimDataPair().

Member Data Documentation

m_simulation_builder

simulation_builder_t SimDataPair::m_simulation_builder

private

Simulation builder from the user to construct simulation for given set of parameters.

Definition at line 86 of file SimDataPair.h.

Referenced by runSimulation(), and validate().

m_simulation

std::unique_ptr<Simulation> SimDataPair::m_simulation

private

Current simulation for given set of parameters.

Definition at line 89 of file SimDataPair.h.

Referenced by initResultArrays(), numberOfFitElements(), and runSimulation().

m_sim_data

SimulationResult SimDataPair::m_sim_data

private

Current simulation results. Masked areas are nullified.

Definition at line 92 of file SimDataPair.h.

Referenced by absoluteDifference(), initResultArrays(), relativeDifference(), runSimulation(), simulation_array(), and simulationResult().

m_exp_data

SimulationResult SimDataPair::m_exp_data

private

Experimental data cut to the ROI. Masked areas are nullified.

Definition at line 94 of file SimDataPair.h.

Referenced by absoluteDifference(), experimental_array(), experimentalData(), initResultArrays(), and relativeDifference().

m_uncertainties

SimulationResult SimDataPair::m_uncertainties

private

Weights from experimental data uncertainties. Masked areas are nullified.

Definition at line 96 of file SimDataPair.h.

Referenced by initResultArrays(), uncertainties(), and uncertainties_array().

m_user_weights

SimulationResult SimDataPair::m_user_weights

private

Manually defined (user) weights. Masked areas are nullified.

Definition at line 98 of file SimDataPair.h.

Referenced by initResultArrays(), user_weights_array(), and userWeights().

m_raw_data

std::unique_ptr<OutputData<double> > SimDataPair::m_raw_data

private

Raw experimental data as obtained from the user.

Definition at line 101 of file SimDataPair.h.

Referenced by initResultArrays(), SimDataPair(), and validate().

m_raw_uncertainties

std::unique_ptr<OutputData<double> > SimDataPair::m_raw_uncertainties

private

Data uncertainties as provided by the user.

Definition at line 103 of file SimDataPair.h.

Referenced by containsUncertainties(), initResultArrays(), and validate().

m_raw_user_weights

std::unique_ptr<OutputData<double> > SimDataPair::m_raw_user_weights

private

User-defined weights.

Definition at line 105 of file SimDataPair.h.

Referenced by initResultArrays(), SimDataPair(), and validate().

---

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

• /home/www/ba/Core/Fitting/SimDataPair.h
• /home/www/ba/Core/Fitting/SimDataPair.cpp