#include <SingleCrystalDiffractionTestHelper.h>

Public Member Functions
void	addBackground (const bool useBackground)

void	addPeakByHKL (const Mantid::Kernel::V3D &hkl, const int numEvents, const std::tuple< double, double, double > &sigmas)
	Add a HKL peak to the diffraction dataset. More...

std::tuple< Mantid::API::MatrixWorkspace_sptr, Mantid::DataObjects::PeaksWorkspace_sptr >	build ()
	Make a tuple of event workspace and peaks workspace. More...

void	outputAsHistogram (const bool outputAsHistogram)
	Set whether to create an event workspace or a histogram workspace. More...

void	setBackgroundParameters (const int nEvents, const double detRange, const double tofRange)
	Set the parameters for the uniform background. More...

void	setNumPixels (const int numPixels)
	Set the total number of peaks to use. More...

void	setRandomSeed (const int seed)
	Set the random seed for generating events. More...

void	setRebinParameters (const std::vector< double > &rebinParams)
	Set the rebin parameters to use. More...

	WorkspaceBuilder ()

Private Types
using	HKLPeakDescriptor = std::tuple< Mantid::Kernel::V3D, int, std::tuple< double, double, double > >

Private Member Functions
void	createBackground (const int peakIndex)
	Create a flat background for the workspace. More...

void	createEventWorkspace ()
	Create an empty event workspace with the instrument attached. More...

void	createInstrument ()
	Create a dummy instrument. More...

void	createNeighbourSearch ()
	Create a neighbour search tree for finding nearest neighbours. More...

void	createPeak (const HKLPeakDescriptor &descriptor)
	Create a single HKL peak in the event workspace. More...

void	createPeaks ()
	Create peaks at the requested HKL positions. More...

void	createPeaksWorkspace ()
	Create a peaks workspace with the request HKL peaks. More...

void	rebinWorkspace ()
	Rebin the event workspace to a histogram workspace. More...

Private Attributes
std::tuple< int, double, double >	m_backgroundParameters
	background parameters More...

std::unique_ptr< Mantid::Kernel::NearestNeighbours< 3 > >	m_detectorSearcher
	Nearest neighbour search tree for detectors. More...

Mantid::DataObjects::EventWorkspace_sptr	m_eventWorkspace
	Handle to the event workspace. More...

std::mt19937	m_generator
	Random generator for making events. More...

Mantid::Geometry::Instrument_sptr	m_instrument
	Handle to the instrument object. More...

int	m_numPixels
	number of pixels along a single axis on the detector bank More...

bool	m_outputAsHistogram
	whether to output event or histogram data More...

std::vector< HKLPeakDescriptor >	m_peakDescriptors
	List of peak descriptors for creating peaks. More...

Mantid::DataObjects::PeaksWorkspace_sptr	m_peaksWorkspace
	Handle to the peaks workspace. More...

std::vector< double >	m_rebinParams
	rebin parameters More...

int	m_totalNPixels
	total number of pixels in the detector bank More...

bool	m_useBackground
	whether to add a background More...

Mantid::API::MatrixWorkspace_sptr	m_workspace
	Handle to the final output workspace (event OR histogram) More...

Detailed Description

Definition at line 22 of file SingleCrystalDiffractionTestHelper.h.

Member Typedef Documentation

◆ HKLPeakDescriptor

using Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::HKLPeakDescriptor = std::tuple<Mantid::Kernel::V3D, int, std::tuple<double, double, double> >

private

Definition at line 47 of file SingleCrystalDiffractionTestHelper.h.

Constructor & Destructor Documentation

◆ WorkspaceBuilder()

Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::WorkspaceBuilder ( )

inline

Definition at line 25 of file SingleCrystalDiffractionTestHelper.h.

Member Function Documentation

◆ addBackground()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::addBackground ( const bool useBackground )

inline

Definition at line 33 of file SingleCrystalDiffractionTestHelper.h.

References m_useBackground.

◆ addPeakByHKL()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::addPeakByHKL	(	const Mantid::Kernel::V3D &	hkl,
		const int	numEvents,
		const std::tuple< double, double, double > &	sigmas
	)

Add a HKL peak to the diffraction dataset.

Add a peak to the data set to be generated.

This will create a peak in the event workspace at the given HKL postion.

The sigmas parameter is a tuple that controls the distribution of events in the workspace. The first two elements control the x and y variance on the detector bank face. The final element controls the variance in the time of flight spectrum.

Parameters

hkl	:: the HKL position of the peak
numEvents	:: the number of events to create for the peak
sigmas	:: tuple controlling the distribution of events

Definition at line 55 of file SingleCrystalDiffractionTestHelper.cpp.

References m_peakDescriptors, and Mantid::DataHandling::numEvents().

◆ build()

std::tuple< MatrixWorkspace_sptr, PeaksWorkspace_sptr > Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::build ( )

Make a tuple of event workspace and peaks workspace.

Build a new set of diffraction data.

This will use the configured parameters supplied by the user to create a new event workspace with events at the specified HKL peak positions.

This will return a tuple where the first element is a matrix workspace pointer that is either an event workspace or a histogram workspace depending on the options set. The second element will be a peaks workspace.

Returns: a tuple containing a matrix workspace and a peaks workspace

Definition at line 71 of file SingleCrystalDiffractionTestHelper.cpp.

References createEventWorkspace(), createInstrument(), createNeighbourSearch(), createPeaks(), createPeaksWorkspace(), m_outputAsHistogram, m_peaksWorkspace, m_workspace, and rebinWorkspace().

◆ createBackground()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::createBackground ( const int peakIndex )

private

Create a flat background for the workspace.

Create a uniform background around each peak in the workspace.

This will NOT add background to the entire workspace as that would cause the generator to take too long to be used in a unit test. Instead this will generate a uniform background in a "box" around a peak.

Parameters

peakIndex :: index of the peak to create a uniform background for

Definition at line 203 of file SingleCrystalDiffractionTestHelper.cpp.

References index, m_backgroundParameters, m_detectorSearcher, m_eventWorkspace, m_generator, and m_peaksWorkspace.

Referenced by createPeaks().

◆ createEventWorkspace()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::createEventWorkspace ( )

private

Create an empty event workspace with the instrument attached.

Create an empty event workspace.

This will create an empty event workspace with the instrument attached

Definition at line 116 of file SingleCrystalDiffractionTestHelper.cpp.

References m_eventWorkspace, m_instrument, m_totalNPixels, m_workspace, and Mantid::API::ISpectrum::setDetectorID().

Referenced by build().

◆ createInstrument()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::createInstrument ( )

private

Create a dummy instrument.

Create a new instrument.

This will create a simple rectangular instrument with the requested number of pixels

Definition at line 90 of file SingleCrystalDiffractionTestHelper.cpp.

References ComponentCreationHelper::createTestInstrumentRectangular(), m_instrument, and m_numPixels.

Referenced by build().

◆ createNeighbourSearch()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::createNeighbourSearch ( )

private

Create a neighbour search tree for finding nearest neighbours.

Create a KD-Tree of detector positions that can be used to find the closest detector to a given event position.

Definition at line 235 of file SingleCrystalDiffractionTestHelper.cpp.

References m_detectorSearcher, and m_eventWorkspace.

Referenced by build().

◆ createPeak()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::createPeak ( const HKLPeakDescriptor & descriptor )

private

Create a single HKL peak in the event workspace.

Create a single peak for a given HKL descriptor.

This will create a Gaussian distributed set of events located at the TOF position of a corresponding HKL value.

This distribution of events is controlled by the sigmas parameter of the HKL descriptor which describes the variance in the x, y, and TOF position.

Parameters

descriptor a HKLPeakDescriptor which describes the position, intensity and variance in a peak

Definition at line 156 of file SingleCrystalDiffractionTestHelper.cpp.

References index, m_detectorSearcher, m_eventWorkspace, m_generator, and m_peaksWorkspace.

Referenced by createPeaks().

◆ createPeaks()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::createPeaks ( )

private

Create peaks at the requested HKL positions.

Create peaks for all HKL descriptors passed to the builder.

Definition at line 135 of file SingleCrystalDiffractionTestHelper.cpp.

References createBackground(), createPeak(), index, m_peakDescriptors, and m_useBackground.

Referenced by build().

◆ createPeaksWorkspace()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::createPeaksWorkspace ( )

private

Create a peaks workspace with the request HKL peaks.

Create an empty peaks workspace.

This will create an empty peaks workspace with a oriented lattice and will also set the instrument.

Definition at line 101 of file SingleCrystalDiffractionTestHelper.cpp.

References m_instrument, and m_peaksWorkspace.

Referenced by build().

◆ outputAsHistogram()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::outputAsHistogram ( const bool outputAsHistogram )

inline

Set whether to create an event workspace or a histogram workspace.

Definition at line 30 of file SingleCrystalDiffractionTestHelper.h.

References m_outputAsHistogram, and outputAsHistogram().

Referenced by outputAsHistogram().

◆ rebinWorkspace()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::rebinWorkspace ( )

private

Rebin the event workspace to a histogram workspace.

Rebin the event workspace using the parameters provided.

Definition at line 247 of file SingleCrystalDiffractionTestHelper.cpp.

References Mantid::Kernel::SingletonHolder< T >::Instance(), m_eventWorkspace, m_rebinParams, and m_workspace.

Referenced by build().

◆ setBackgroundParameters()

void Mantid::SingleCrystalDiffractionTestHelper::WorkspaceBuilder::setBackgroundParameters	(	const int	nEvents,
		const double	detRange,
		const double	tofRange
	)