Structure describing a single-crystal peak. More...

#include <BasePeak.h>

Inheritance diagram for Mantid::DataObjects::BasePeak:

Public Member Functions
	BasePeak ()
	Default constructor. More...

	BasePeak (BasePeak &&) noexcept=default

	BasePeak (const BasePeak &other)
	Copy constructor. More...

	BasePeak (const Geometry::IPeak &ipeak)
	Constructor making a LeanPeak from IPeak interface. More...

	BasePeak (const Mantid::Kernel::Matrix< double > &goniometer)
	Constructor including goniometer. More...

double	getAbsorptionWeightedPathLength () const override
	Gets the absorption weighted path length. More...

double	getBinCount () const override
	Return the # of counts in the bin at its peak. More...

Mantid::Kernel::Matrix< double >	getGoniometerMatrix () const override
	Get the goniometer rotation matrix at which this peak was measured. More...

double	getH () const override
	Get the H index of the peak. More...

Mantid::Kernel::V3D	getHKL () const override
	Return the HKL vector. More...

double	getIntensity () const override
	Return the integrated peak intensity. More...

double	getIntensityOverSigma () const override
	Return the peak intensity divided by the error in the intensity. More...

Mantid::Kernel::V3D	getIntHKL () const override
	Return the int HKL vector. More...

Mantid::Kernel::V3D	getIntMNP () const override
	Return the int MNP vector. More...

Mantid::Kernel::Matrix< double >	getInverseGoniometerMatrix () const
	Get the goniometer rotation matrix at which this peak was measured. More...

double	getK () const override
	Get the K index of the peak. More...

double	getL () const override
	Get the L index of the peak. More...

double	getMonitorCount () const override
	Return the monitor count stored in this peak. More...

int	getPeakNumber () const override
	Returns the unique peak number Returns -1 if it could not find it. More...

const Mantid::Geometry::PeakShape &	getPeakShape () const override
	Get the peak shape. More...

int	getRunNumber () const override
	Return the run number this peak was measured at. More...

Mantid::Kernel::V3D	getSamplePos () const override
	Return the sample position vector. More...

double	getSigmaIntensity () const override
	Return the error on the integrated peak intensity. More...

virtual double	getValueByColName (std::string colName) const
	Helper function for displaying/sorting peaks. More...

bool	isIndexed () const override
	Return True if the peak has been indexed. More...

BasePeak &	operator= (BasePeak &&) noexcept=default

BasePeak &	operator= (const BasePeak &other)
	Assignment. More...

void	setAbsorptionWeightedPathLength (double pathLength) override
	Set the absorption weighted path length. More...

void	setBinCount (double m_binCount) override
	Set the # of counts in the bin at its peak. More...

void	setGoniometerMatrix (const Mantid::Kernel::Matrix< double > &goniometerMatrix) override
	Set the goniometer rotation matrix at which this peak was measured. More...

void	setH (double m_H) override
	Set the H index of this peak. More...

void	setHKL (const Mantid::Kernel::V3D &HKL) override
	Set all HKL. More...

void	setHKL (double H, double K, double L) override
	Set all three H,K,L indices of the peak. More...

void	setIntensity (double m_intensity) override
	Set the integrated peak intensity. More...

void	setIntHKL (const Kernel::V3D &HKL) override
	Set int HKL. More...

void	setIntMNP (const Mantid::Kernel::V3D &MNP) override
	Sets the modulated peak structure number. More...

void	setK (double m_K) override
	Set the K index of this peak. More...

void	setL (double m_L) override
	Set the L index of this peak. More...

void	setMonitorCount (double m_monitorCount) override
	Set the monitor count for this peak. More...

void	setPeakNumber (int m_peakNumber) override
	Sets the unique peak number. More...

void	setPeakShape (Mantid::Geometry::PeakShape *shape) override
	Set the PeakShape. More...

void	setPeakShape (Mantid::Geometry::PeakShape_const_sptr shape) override
	Set the PeakShape. More...

void	setRunNumber (int m_runNumber) override
	Set the run number that measured this peak. More...

void	setSamplePos (const Mantid::Kernel::V3D &XYZ) override
	Set sample position. More...

void	setSamplePos (double samX, double samY, double samZ) override
	Set sample position. More...

void	setSigmaIntensity (double m_sigmaIntensity) override
	Set the error on the integrated peak intensity. More...

Public Member Functions inherited from Mantid::Geometry::IPeak
virtual double	getAbsorptionWeightedPathLength () const =0

virtual double	getAzimuthal () const =0

virtual double	getBinCount () const =0

virtual int	getCol () const =0

virtual double	getDSpacing () const =0

virtual double	getEnergyTransfer () const =0

virtual double	getFinalEnergy () const =0

virtual Mantid::Kernel::Matrix< double >	getGoniometerMatrix () const =0

virtual double	getH () const =0

virtual Mantid::Kernel::V3D	getHKL () const =0

virtual double	getInitialEnergy () const =0

virtual double	getIntensity () const =0

virtual double	getIntensityOverSigma () const =0

virtual Mantid::Kernel::V3D	getIntHKL () const =0

virtual Mantid::Kernel::V3D	getIntMNP () const =0

virtual double	getK () const =0

virtual double	getL () const =0

virtual double	getL1 () const =0

virtual double	getL2 () const =0

virtual double	getMonitorCount () const =0

virtual int	getPeakNumber () const =0

virtual const Mantid::Geometry::PeakShape &	getPeakShape () const =0

virtual Mantid::Kernel::V3D	getQLabFrame () const =0

virtual Mantid::Kernel::V3D	getQSampleFrame () const =0

virtual std::shared_ptr< const Geometry::ReferenceFrame >	getReferenceFrame () const =0

virtual int	getRow () const =0

virtual int	getRunNumber () const =0

virtual Mantid::Kernel::V3D	getSamplePos () const =0

virtual double	getScattering () const =0

virtual double	getSigmaIntensity () const =0

virtual double	getTOF () const =0

virtual double	getWavelength () const =0

virtual bool	isIndexed () const =0

virtual void	setAbsorptionWeightedPathLength (double pathLength)=0

virtual void	setBinCount (double m_BinCount)=0

virtual void	setFinalEnergy (double m_FinalEnergy)=0

virtual void	setGoniometerMatrix (const Mantid::Kernel::Matrix< double > &m_GoniometerMatrix)=0

virtual void	setH (double m_H)=0

virtual void	setHKL (const Mantid::Kernel::V3D &HKL)=0

virtual void	setHKL (double H, double K, double L)=0

virtual void	setInitialEnergy (double m_InitialEnergy)=0

virtual void	setIntensity (double m_Intensity)=0

virtual void	setIntHKL (const Mantid::Kernel::V3D &HKL)=0

virtual void	setIntMNP (const Mantid::Kernel::V3D &MNP)=0

virtual void	setK (double m_K)=0

virtual void	setL (double m_L)=0

virtual void	setMonitorCount (double m_MonitorCount)=0

virtual void	setPeakNumber (int m_PeakNumber)=0

virtual void	setPeakShape (Mantid::Geometry::PeakShape *shape)=0

virtual void	setPeakShape (Mantid::Geometry::PeakShape_const_sptr shape)=0

virtual void	setQLabFrame (const Mantid::Kernel::V3D &QLabFrame, boost::optional< double > detectorDistance)=0

virtual void	setQSampleFrame (const Mantid::Kernel::V3D &QSampleFrame, boost::optional< double > detectorDistance)=0

virtual void	setRunNumber (int m_RunNumber)=0

virtual void	setSamplePos (const Mantid::Kernel::V3D &XYZ)=0

virtual void	setSamplePos (double samX, double samY, double samZ)=0

virtual void	setSigmaIntensity (double m_SigmaIntensity)=0

virtual void	setWavelength (double wavelength)=0

virtual	~IPeak ()=default

Protected Member Functions
double	calculateWavelengthFromQLab (const Mantid::Kernel::V3D &qLab)

Protected Attributes
std::string	m_convention

Mantid::Kernel::V3D	m_samplePos
	Cached sample position. More...

Private Attributes
double	m_absorptionWeightedPathLength
	absorption weighted path length (aka t bar) More...

double	m_binCount
	Count in the bin at the peak. More...

Mantid::Kernel::Matrix< double >	m_GoniometerMatrix
	Orientation matrix of the goniometer angles. More...

double	m_H
	H of the peak. More...

double	m_intensity
	Integrated peak intensity. More...

Mantid::Kernel::V3D	m_intHKL

Mantid::Kernel::V3D	m_intMNP

Mantid::Kernel::Matrix< double >	m_InverseGoniometerMatrix
	Inverse of the goniometer rotation matrix; used to go from Q in lab frame to Q in sample frame. More...

double	m_K
	K of the peak. More...

double	m_L
	L of the peak. More...

double	m_monitorCount
	Integrated monitor count over TOF range for this run. More...

int	m_peakNumber

Mantid::Geometry::PeakShape_const_sptr	m_peakShape
	Peak shape. More...

int	m_runNumber
	Originating run number for this peak. More...

double	m_sigmaIntensity
	Error (sigma) on peak intensity. More...

Static Private Attributes
static Mantid::Kernel::Logger	g_log
	Static logger. More...

Detailed Description

Structure describing a single-crystal peak.

This is a partial implementation of IPeak and should contain everything that is common to Peak and LeanPeak.

Definition at line 33 of file BasePeak.h.

Constructor & Destructor Documentation

◆ BasePeak() [1/5]

Mantid::DataObjects::BasePeak::BasePeak ( )

Default constructor.

Definition at line 31 of file BasePeak.cpp.

◆ BasePeak() [2/5]

Mantid::DataObjects::BasePeak::BasePeak ( const Mantid::Kernel::Matrix< double > & goniometer )

Constructor including goniometer.

Parameters

goniometer :: a 3x3 rotation matrix

Definition at line 42 of file BasePeak.cpp.

References fabs, Mantid::Kernel::Matrix< T >::Invert(), and m_InverseGoniometerMatrix.

◆ BasePeak() [3/5]

Mantid::DataObjects::BasePeak::BasePeak ( const BasePeak & other )

Copy constructor.

Definition at line 51 of file BasePeak.cpp.

◆ BasePeak() [4/5]

Mantid::DataObjects::BasePeak::BasePeak ( BasePeak && )

defaultnoexcept

◆ BasePeak() [5/5]

Mantid::DataObjects::BasePeak::BasePeak ( const Geometry::IPeak & ipeak )

explicit

Constructor making a LeanPeak from IPeak interface.

Parameters

ipeak :: const reference to an IPeak object

Definition at line 64 of file BasePeak.cpp.

References fabs, Mantid::Kernel::Matrix< T >::Invert(), and m_InverseGoniometerMatrix.

Member Function Documentation

◆ calculateWavelengthFromQLab()

double Mantid::DataObjects::BasePeak::calculateWavelengthFromQLab ( const Mantid::Kernel::V3D & qLab )

protected

Definition at line 342 of file BasePeak.cpp.

References Mantid::Geometry::IPeak::getReferenceFrame(), m_convention, Mantid::Kernel::V3D::norm(), and Mantid::Kernel::V3D::scalar_prod().

Referenced by Mantid::DataObjects::LeanElasticPeak::setQSampleFrame().

◆ getAbsorptionWeightedPathLength()

double Mantid::DataObjects::BasePeak::getAbsorptionWeightedPathLength ( ) const

overridevirtual

Gets the absorption weighted path length.

Implements Mantid::Geometry::IPeak.

Definition at line 340 of file BasePeak.cpp.

References m_absorptionWeightedPathLength.

Referenced by Mantid::Crystal::SaveHKL::exec(), getValueByColName(), Mantid::DataObjects::LeanElasticPeaksWorkspace::saveNexus(), and Mantid::DataObjects::PeaksWorkspace::saveNexus().

◆ getBinCount()

double Mantid::DataObjects::BasePeak::getBinCount ( ) const

overridevirtual

Return the # of counts in the bin at its peak.

Implements Mantid::Geometry::IPeak.

Definition at line 182 of file BasePeak.cpp.

References m_binCount.

Referenced by Mantid::Crystal::PeakHKLErrors::createNewPeak(), Mantid::Algorithms::CompareWorkspaces::doPeaksComparison(), Mantid::Crystal::SCDCalibratePanels::findL2(), getValueByColName(), Mantid::DataObjects::LeanElasticPeaksWorkspace::saveNexus(), and Mantid::DataObjects::PeaksWorkspace::saveNexus().

◆ getGoniometerMatrix()

Mantid::Kernel::Matrix< double > Mantid::DataObjects::BasePeak::getGoniometerMatrix ( ) const

overridevirtual

Get the goniometer rotation matrix at which this peak was measured.

Implements Mantid::Geometry::IPeak.

Definition at line 210 of file BasePeak.cpp.

References m_GoniometerMatrix.

Referenced by Mantid::Crystal::PeakHKLErrors::createNewPeak(), Mantid::Crystal::SCDPanelErrors::eval(), Mantid::Crystal::SaveHKL::exec(), Mantid::Crystal::SaveLauenorm::exec(), Mantid::Crystal::SCDCalibratePanels::exec(), Mantid::Crystal::PeakHKLErrors::function1D(), Mantid::Crystal::PeakHKLErrors::functionDeriv1D(), Mantid::DataObjects::LeanElasticPeak::getQLabFrame(), Mantid::DataObjects::PeaksWorkspace::peakInfo(), Mantid::DataObjects::LeanElasticPeaksWorkspace::saveNexus(), Mantid::DataObjects::PeaksWorkspace::saveNexus(), and Mantid::DataObjects::Peak::setQSampleFrame().

◆ getH()

double Mantid::DataObjects::BasePeak::getH ( ) const

overridevirtual

Get the H index of the peak.

Implements Mantid::Geometry::IPeak.

Definition at line 94 of file BasePeak.cpp.

References m_H.

Referenced by Mantid::Algorithms::CompareWorkspaces::doPeaksComparison(), Mantid::Crystal::SCDPanelErrors::eval(), Mantid::Crystal::SaveHKL::exec(), Mantid::Crystal::SaveLauenorm::exec(), getValueByColName(), Mantid::DataObjects::LeanElasticPeaksWorkspace::saveNexus(), and Mantid::DataObjects::PeaksWorkspace::saveNexus().

◆ getHKL()

Mantid::Kernel::V3D Mantid::DataObjects::BasePeak::getHKL ( ) const

overridevirtual

Return the HKL vector.

Implements Mantid::Geometry::IPeak.

Definition at line 103 of file BasePeak.cpp.

References m_H, m_K, and m_L.

Referenced by Mantid::Crystal::PeakHKLErrors::createNewPeak(), Mantid::Crystal::SCDCalibratePanels::exec(), and Mantid::MDAlgorithms::CentroidPeaksMD::integrate().

◆ getIntensity()

double Mantid::DataObjects::BasePeak::getIntensity ( ) const

overridevirtual

Return the integrated peak intensity.

Implements Mantid::Geometry::IPeak.

Definition at line 185 of file BasePeak.cpp.

References m_intensity.

Referenced by Mantid::Crystal::PeakHKLErrors::createNewPeak(), Mantid::Algorithms::CompareWorkspaces::doPeaksComparison(), Mantid::Crystal::SaveHKL::exec(), Mantid::Crystal::SaveLauenorm::exec(), Mantid::Crystal::SCDCalibratePanels::findL2(), getValueByColName(), Mantid::DataObjects::LeanElasticPeaksWorkspace::saveNexus(), and Mantid::DataObjects::PeaksWorkspace::saveNexus().

◆ getIntensityOverSigma()

double Mantid::DataObjects::BasePeak::getIntensityOverSigma ( ) const

overridevirtual

Return the peak intensity divided by the error in the intensity.

Implements Mantid::Geometry::IPeak.

Definition at line 191 of file BasePeak.cpp.

References m_intensity, and m_sigmaIntensity.

Referenced by getValueByColName().

◆ getIntHKL()

Mantid::Kernel::V3D Mantid::DataObjects::BasePeak::getIntHKL ( ) const

overridevirtual

Return the int HKL vector.

Implements Mantid::Geometry::IPeak.

Definition at line 113 of file BasePeak.cpp.

References m_intHKL.

◆ getIntMNP()

V3D Mantid::DataObjects::BasePeak::getIntMNP ( ) const

overridevirtual

Return the int MNP vector.

Implements Mantid::Geometry::IPeak.

Definition at line 116 of file BasePeak.cpp.

References m_intMNP.

Referenced by Mantid::Crystal::SaveIsawPeaks::exec().

◆ getInverseGoniometerMatrix()

Mantid::Kernel::Matrix< double > Mantid::DataObjects::BasePeak::getInverseGoniometerMatrix ( ) const

Get the goniometer rotation matrix at which this peak was measured.

Definition at line 214 of file BasePeak.cpp.

References m_InverseGoniometerMatrix.

Referenced by Mantid::DataObjects::Peak::getQSampleFrame(), and Mantid::DataObjects::LeanElasticPeak::setQLabFrame().

◆ getK()

double Mantid::DataObjects::BasePeak::getK ( ) const

overridevirtual

Get the K index of the peak.

Implements Mantid::Geometry::IPeak.

Definition at line 97 of file BasePeak.cpp.

References m_K.

Referenced by Mantid::Algorithms::CompareWorkspaces::doPeaksComparison(), Mantid::Crystal::SCDPanelErrors::eval(), Mantid::Crystal::SaveHKL::exec(), Mantid::Crystal::SaveLauenorm::exec(), getValueByColName(), Mantid::DataObjects::LeanElasticPeaksWorkspace::saveNexus(), and Mantid::DataObjects::PeaksWorkspace::saveNexus().

◆ getL()

double Mantid::DataObjects::BasePeak::getL ( ) const

overridevirtual

Get the L index of the peak.

Implements Mantid::Geometry::IPeak.

Definition at line 100 of file BasePeak.cpp.

References m_L.

Referenced by Mantid::Algorithms::CompareWorkspaces::doPeaksComparison(), Mantid::Crystal::SCDPanelErrors::eval(), Mantid::Crystal::SaveHKL::exec(), Mantid::Crystal::SaveLauenorm::exec(), getValueByColName(), Mantid::DataObjects::LeanElasticPeaksWorkspace::saveNexus(), and Mantid::DataObjects::PeaksWorkspace::saveNexus().

◆ getMonitorCount()

double Mantid::DataObjects::BasePeak::getMonitorCount ( ) const

overridevirtual

Return the monitor count stored in this peak.

Implements Mantid::Geometry::IPeak.

Definition at line 86 of file BasePeak.cpp.

References m_monitorCount.

Referenced by Mantid::Crystal::SaveHKL::exec().

◆ getPeakNumber()

int Mantid::DataObjects::BasePeak::getPeakNumber ( ) const

overridevirtual

Returns the unique peak number Returns -1 if it could not find it.

Implements Mantid::Geometry::IPeak.

Definition at line 234 of file BasePeak.cpp.

References m_peakNumber.

Referenced by Mantid::Crystal::SaveHKL::exec(), getValueByColName(), Mantid::DataObjects::LeanElasticPeaksWorkspace::saveNexus(), and Mantid::DataObjects::PeaksWorkspace::saveNexus().

◆ getPeakShape()

const PeakShape & Mantid::DataObjects::BasePeak::getPeakShape ( ) const

overridevirtual

Get the peak shape.

Returns: : const ref to current peak shape.

Implements Mantid::Geometry::IPeak.

Definition at line 290 of file BasePeak.cpp.

References m_peakShape.

Referenced by Mantid::DataObjects::LeanElasticPeaksWorkspace::saveNexus(), and Mantid::DataObjects::PeaksWorkspace::saveNexus().

◆ getRunNumber()

int Mantid::DataObjects::BasePeak::getRunNumber ( ) const

overridevirtual

Return the run number this peak was measured at.

Implements Mantid::Geometry::IPeak.

Definition at line 78 of file BasePeak.cpp.

References m_runNumber.

Referenced by Mantid::Crystal::PeakHKLErrors::createNewPeak(), Mantid::MDAlgorithms::IntegratePeaksCWSD::createOutputs(), Mantid::Algorithms::CompareWorkspaces::doPeaksComparison(), Mantid::Crystal::PeakIntegration::exec(), Mantid::Crystal::SaveHKL::exec(), Mantid::Crystal::SaveIsawPeaks::exec(), Mantid::Crystal::SaveLauenorm::exec(), Mantid::Crystal::ShowPeakHKLOffsets::exec(), Mantid::Crystal::StatisticsOfPeaksWorkspace::exec(), Mantid::Crystal::PeakHKLErrors::function1D(), Mantid::Crystal::PeakHKLErrors::functionDeriv1D(), Mantid::MDAlgorithms::IntegratePeaksCWSD::getPeakInformation(), getValueByColName(), Mantid::Crystal::CentroidPeaks::integrate(), Mantid::DataObjects::PeaksWorkspace::peakInfo(), Mantid::DataObjects::LeanElasticPeaksWorkspace::saveNexus(), and Mantid::DataObjects::PeaksWorkspace::saveNexus().

◆ getSamplePos()

Mantid::Kernel::V3D Mantid::DataObjects::BasePeak::getSamplePos ( ) const

overridevirtual

Return the sample position vector.

Implements Mantid::Geometry::IPeak.

Definition at line 156 of file BasePeak.cpp.

References m_samplePos.

Referenced by Mantid::Crystal::PeakHKLErrors::function1D(), and Mantid::Crystal::PeakHKLErrors::functionDeriv1D().

◆ getSigmaIntensity()

double Mantid::DataObjects::BasePeak::getSigmaIntensity ( ) const

overridevirtual

Return the error on the integrated peak intensity.

Implements Mantid::Geometry::IPeak.

Definition at line 188 of file BasePeak.cpp.

References m_sigmaIntensity.

Referenced by Mantid::Crystal::PeakHKLErrors::createNewPeak(), Mantid::Algorithms::CompareWorkspaces::doPeaksComparison(), Mantid::Crystal::SaveHKL::exec(), Mantid::Crystal::SaveLauenorm::exec(), Mantid::Crystal::SCDCalibratePanels::findL2(), getValueByColName(), Mantid::DataObjects::LeanElasticPeaksWorkspace::saveNexus(), and Mantid::DataObjects::PeaksWorkspace::saveNexus().

◆ getValueByColName()

double Mantid::DataObjects::BasePeak::getValueByColName ( std::string name ) const

virtual

Helper function for displaying/sorting peaks.

Parameters

name	:: name of the column in the table workspace. The matching is case-insensitive.

Returns: a double representing that value (if that's possible)

Exceptions

std::runtime_error if you asked for a column that can't convert to double.

Reimplemented in Mantid::DataObjects::Peak.

Definition at line 250 of file BasePeak.cpp.

References getAbsorptionWeightedPathLength(), getBinCount(), Mantid::Geometry::IPeak::getDSpacing(), getH(), Mantid::Geometry::IPeak::getInitialEnergy(), getIntensity(), getIntensityOverSigma(), getK(), getL(), getPeakNumber(), getRunNumber(), getSigmaIntensity(), Mantid::Geometry::IPeak::getTOF(), and Mantid::Geometry::IPeak::getWavelength().

Referenced by Mantid::DataObjects::Peak::getValueByColName(), and Mantid::DataObjects::PeakComparator::operator()().

◆ isIndexed()

bool Mantid::DataObjects::BasePeak::isIndexed ( ) const

overridevirtual

Return True if the peak has been indexed.

Implements Mantid::Geometry::IPeak.

Definition at line 106 of file BasePeak.cpp.

References m_H, m_K, and m_L.

◆ operator=() [1/2]

BasePeak & Mantid::DataObjects::BasePeak::operator= ( BasePeak && )

defaultnoexcept

Referenced by Mantid::DataObjects::LeanElasticPeak::operator=(), and Mantid::DataObjects::Peak::operator=().

◆ operator=() [2/2]

BasePeak & Mantid::DataObjects::BasePeak::operator= ( const BasePeak & other )

Assignment.

Assignement operator overload.

Parameters

other : Other peak object to assign from

Returns: this

Definition at line 309 of file BasePeak.cpp.

References m_absorptionWeightedPathLength, m_binCount, m_convention, m_GoniometerMatrix, m_H, m_intensity, m_intHKL, m_intMNP, m_InverseGoniometerMatrix, m_K, m_L, m_monitorCount, m_peakNumber, m_peakShape, m_runNumber, and m_sigmaIntensity.

◆ setAbsorptionWeightedPathLength()

void Mantid::DataObjects::BasePeak::setAbsorptionWeightedPathLength ( double pathLength )

overridevirtual

Set the absorption weighted path length.

Parameters

pathLength : Desired path length

Implements Mantid::Geometry::IPeak.

Definition at line 335 of file BasePeak.cpp.

References m_absorptionWeightedPathLength.

◆ setBinCount()

void Mantid::DataObjects::BasePeak::setBinCount ( double m_binCount )

overridevirtual

Set the # of counts in the bin at its peak.

Parameters

m_binCount :: counts

Implements Mantid::Geometry::IPeak.

Definition at line 202 of file BasePeak.cpp.

References m_binCount.

Referenced by Mantid::Crystal::PeakHKLErrors::createNewPeak(), and Mantid::Crystal::LoadIsawPeaks::readPeak().

◆ setGoniometerMatrix()

void Mantid::DataObjects::BasePeak::setGoniometerMatrix ( const Mantid::Kernel::Matrix< double > & goniometerMatrix )

overridevirtual

Set the goniometer rotation matrix at which this peak was measured.

Parameters

goniometerMatrix :: 3x3 matrix that represents the rotation matrix of the goniometer

Exceptions

std::invalid_argument if matrix is not 3x3

Implements Mantid::Geometry::IPeak.

Definition at line 220 of file BasePeak.cpp.

References fabs, Mantid::Kernel::Matrix< T >::Invert(), m_GoniometerMatrix, m_InverseGoniometerMatrix, Mantid::Kernel::Matrix< T >::numCols(), and Mantid::Kernel::Matrix< T >::numRows().

Referenced by Mantid::Crystal::LoadIsawPeaks::appendFile(), Mantid::MDAlgorithms::IntegratePeaksCWSD::createPeakworkspace(), Mantid::Crystal::PeakHKLErrors::function1D(), Mantid::Crystal::PeakHKLErrors::functionDeriv1D(), Mantid::DataHandling::LoadNexusProcessed::loadLeanElasticPeaksEntry(), Mantid::DataHandling::LoadNexusProcessed::loadPeaksEntry(), and Mantid::DataObjects::LeanElasticPeak::setQSampleFrame().

◆ setH()

void Mantid::DataObjects::BasePeak::setH ( double m_H )

overridevirtual

Set the H index of this peak.

Parameters

m_H	:: index to set

Implements Mantid::Geometry::IPeak.

Definition at line 121 of file BasePeak.cpp.

References m_H.

◆ setHKL() [1/2]

void Mantid::DataObjects::BasePeak::setHKL ( const Mantid::Kernel::V3D & HKL )

overridevirtual

Set all HKL.

Parameters

HKL	:: vector with x,y,z -> h,k,l

Implements Mantid::Geometry::IPeak.

Definition at line 142 of file BasePeak.cpp.

References setHKL(), and Mantid::Kernel::V3D::X().

◆ setHKL() [2/2]

void Mantid::DataObjects::BasePeak::setHKL	(	double	H,
		double	K,
		double	L
	)

overridevirtual

Set all three H,K,L indices of the peak.

Implements Mantid::Geometry::IPeak.

Definition at line 132 of file BasePeak.cpp.

References m_H, m_K, and m_L.

Referenced by Mantid::Crystal::LoadHKL::exec(), Mantid::Crystal::CountReflections::getPeaksWorkspace(), Mantid::MDAlgorithms::CentroidPeaksMD::integrate(), Mantid::DataObjects::Peak::Peak(), Mantid::Crystal::LoadIsawPeaks::readPeak(), and setHKL().

◆ setIntensity()

void Mantid::DataObjects::BasePeak::setIntensity ( double m_intensity )

overridevirtual

Set the integrated peak intensity.

Parameters

m_intensity :: intensity value

Implements Mantid::Geometry::IPeak.

Definition at line 198 of file BasePeak.cpp.

References m_intensity.

Referenced by Mantid::Crystal::PeakHKLErrors::createNewPeak(), Mantid::MDAlgorithms::IntegratePeaksCWSD::createOutputs(), Mantid::MDAlgorithms::IntegratePeaksCWSD::createPeakworkspace(), Mantid::Crystal::LoadHKL::exec(), Mantid::Crystal::SaveHKL::exec(), Mantid::Crystal::PeakIntegration::fitneighbours(), and Mantid::Crystal::LoadIsawPeaks::readPeak().

◆ setIntHKL()

void Mantid::DataObjects::BasePeak::setIntHKL ( const Kernel::V3D & HKL )

overridevirtual

Set int HKL.

Parameters

HKL	:: vector with integer x,y,z -> h,k,l

Implements Mantid::Geometry::IPeak.

Definition at line 148 of file BasePeak.cpp.

References m_intHKL.

Referenced by Mantid::Crystal::LoadIsawPeaks::readPeak().

◆ setIntMNP()

void Mantid::DataObjects::BasePeak::setIntMNP ( const Mantid::Kernel::V3D & MNP )

overridevirtual

Sets the modulated peak structure number.

Parameters

MNP	:: modulated peak structure value

Implements Mantid::Geometry::IPeak.

Definition at line 153 of file BasePeak.cpp.

References m_intMNP.

Referenced by Mantid::Crystal::LoadIsawPeaks::readPeak().

◆ setK()

void Mantid::DataObjects::BasePeak::setK ( double m_K )

overridevirtual

Set the K index of this peak.

Parameters

m_K	:: index to set

Implements Mantid::Geometry::IPeak.

Definition at line 125 of file BasePeak.cpp.

References m_K.

◆ setL()

void Mantid::DataObjects::BasePeak::setL ( double m_L )

overridevirtual

Set the L index of this peak.

Parameters

m_L	:: index to set

Implements Mantid::Geometry::IPeak.

Definition at line 129 of file BasePeak.cpp.

References m_L.

◆ setMonitorCount()

void Mantid::DataObjects::BasePeak::setMonitorCount ( double m_monitorCount )

overridevirtual

Set the monitor count for this peak.

Parameters

m_monitorCount :: the monitor count

Implements Mantid::Geometry::IPeak.

Definition at line 90 of file BasePeak.cpp.

References m_monitorCount.

Referenced by Mantid::Crystal::LoadIsawPeaks::appendFile().

◆ setPeakNumber()

void Mantid::DataObjects::BasePeak::setPeakNumber ( int m_peakNumber )

overridevirtual

Sets the unique peak number.

Parameters

m_peakNumber :: unique peak number value

Implements Mantid::Geometry::IPeak.

Definition at line 239 of file BasePeak.cpp.

References m_peakNumber.

Referenced by Mantid::Crystal::LoadHKL::exec(), and Mantid::Crystal::LoadIsawPeaks::readPeak().

◆ setPeakShape() [1/2]

void Mantid::DataObjects::BasePeak::setPeakShape ( Mantid::Geometry::PeakShape * shape )

overridevirtual

Set the PeakShape.

Set the peak shape.

Parameters

shape : Desired shape

Implements Mantid::Geometry::IPeak.

Definition at line 296 of file BasePeak.cpp.

References m_peakShape.

◆ setPeakShape() [2/2]

void Mantid::DataObjects::BasePeak::setPeakShape ( Mantid::Geometry::PeakShape_const_sptr shape )

overridevirtual

Set the PeakShape.

Set the peak shape.

Parameters

shape : Desired shape

Implements Mantid::Geometry::IPeak.

Definition at line 302 of file BasePeak.cpp.

References m_peakShape.

◆ setRunNumber()

void Mantid::DataObjects::BasePeak::setRunNumber ( int m_runNumber )

overridevirtual

Set the run number that measured this peak.

Parameters

m_runNumber :: the run number

Implements Mantid::Geometry::IPeak.

Definition at line 82 of file BasePeak.cpp.

References m_runNumber.

Referenced by Mantid::Crystal::LoadIsawPeaks::appendFile(), Mantid::Crystal::PeakHKLErrors::createNewPeak(), Mantid::MDAlgorithms::IntegratePeaksCWSD::createPeakworkspace(), Mantid::Crystal::LoadHKL::exec(), Mantid::DataHandling::LoadNexusProcessed::loadLeanElasticPeaksEntry(), and Mantid::DataHandling::LoadNexusProcessed::loadPeaksEntry().

◆ setSamplePos() [1/2]

void Mantid::DataObjects::BasePeak::setSamplePos ( const Mantid::Kernel::V3D & XYZ )

overridevirtual

Set sample position.

Parameters

XYZ	:: vector x,y,z-> m_samplePos(x), m_samplePos(y), m_samplePos(z)

Implements Mantid::Geometry::IPeak.

Definition at line 173 of file BasePeak.cpp.

References m_samplePos.

◆ setSamplePos() [2/2]

void Mantid::DataObjects::BasePeak::setSamplePos	(	double	samX,
		double	samY,
		double	samZ
	)

overridevirtual

Set sample position.

@ doubles x,y,z-> m_samplePos(x), m_samplePos(y), m_samplePos(z)

Implements Mantid::Geometry::IPeak.

Definition at line 162 of file BasePeak.cpp.

References m_samplePos.

Referenced by Mantid::Crystal::PeakHKLErrors::function1D(), and Mantid::Crystal::PeakHKLErrors::functionDeriv1D().

◆ setSigmaIntensity()

void Mantid::DataObjects::BasePeak::setSigmaIntensity ( double m_sigmaIntensity )

overridevirtual

Set the error on the integrated peak intensity.

Parameters

m_sigmaIntensity :: intensity error value

Implements Mantid::Geometry::IPeak.

Definition at line 206 of file BasePeak.cpp.

References m_sigmaIntensity.

Referenced by Mantid::Crystal::PeakHKLErrors::createNewPeak(), Mantid::Crystal::LoadHKL::exec(), Mantid::Crystal::SaveHKL::exec(), Mantid::Crystal::PeakIntegration::fitneighbours(), and Mantid::Crystal::LoadIsawPeaks::readPeak().

Member Data Documentation

◆ g_log

Mantid::Kernel::Logger Mantid::DataObjects::BasePeak::g_log

staticprivate

Static logger.

Definition at line 167 of file BasePeak.h.

◆ m_absorptionWeightedPathLength

double Mantid::DataObjects::BasePeak::m_absorptionWeightedPathLength

private

absorption weighted path length (aka t bar)

Definition at line 144 of file BasePeak.h.

Referenced by getAbsorptionWeightedPathLength(), operator=(), and setAbsorptionWeightedPathLength().

◆ m_binCount

double Mantid::DataObjects::BasePeak::m_binCount

private

Count in the bin at the peak.

Definition at line 141 of file BasePeak.h.

Referenced by getBinCount(), operator=(), and setBinCount().

◆ m_convention

std::string Mantid::DataObjects::BasePeak::m_convention

protected

Definition at line 119 of file BasePeak.h.

Referenced by calculateWavelengthFromQLab(), Mantid::DataObjects::LeanElasticPeak::getAzimuthal(), Mantid::DataObjects::Peak::getQLabFrame(), operator=(), and Mantid::DataObjects::Peak::setQLabFrame().

◆ m_GoniometerMatrix

Mantid::Kernel::Matrix<double> Mantid::DataObjects::BasePeak::m_GoniometerMatrix

private

Orientation matrix of the goniometer angles.

Definition at line 147 of file BasePeak.h.

Referenced by getGoniometerMatrix(), operator=(), and setGoniometerMatrix().

◆ m_H

double Mantid::DataObjects::BasePeak::m_H

private

H of the peak.

Definition at line 126 of file BasePeak.h.

Referenced by getH(), getHKL(), isIndexed(), operator=(), setH(), and setHKL().

◆ m_intensity

double Mantid::DataObjects::BasePeak::m_intensity

private

Integrated peak intensity.

Definition at line 135 of file BasePeak.h.

Referenced by getIntensity(), getIntensityOverSigma(), operator=(), and setIntensity().

◆ m_intHKL

Mantid::Kernel::V3D Mantid::DataObjects::BasePeak::m_intHKL

private

Definition at line 160 of file BasePeak.h.

Referenced by getIntHKL(), operator=(), and setIntHKL().

◆ m_intMNP

Mantid::Kernel::V3D Mantid::DataObjects::BasePeak::m_intMNP

private

Definition at line 161 of file BasePeak.h.

Referenced by getIntMNP(), operator=(), and setIntMNP().

◆ m_InverseGoniometerMatrix

Mantid::Kernel::Matrix<double> Mantid::DataObjects::BasePeak::m_InverseGoniometerMatrix

private

Inverse of the goniometer rotation matrix; used to go from Q in lab frame to Q in sample frame.

Definition at line 151 of file BasePeak.h.

Referenced by BasePeak(), getInverseGoniometerMatrix(), operator=(), and setGoniometerMatrix().

◆ m_K

double Mantid::DataObjects::BasePeak::m_K

private

K of the peak.

Definition at line 129 of file BasePeak.h.

Referenced by getHKL(), getK(), isIndexed(), operator=(), setHKL(), and setK().

◆ m_L

double Mantid::DataObjects::BasePeak::m_L

private

L of the peak.

Definition at line 132 of file BasePeak.h.

Referenced by getHKL(), getL(), isIndexed(), operator=(), setHKL(), and setL().

◆ m_monitorCount

double Mantid::DataObjects::BasePeak::m_monitorCount

private

Integrated monitor count over TOF range for this run.

Definition at line 157 of file BasePeak.h.

Referenced by getMonitorCount(), operator=(), and setMonitorCount().

◆ m_peakNumber

int Mantid::DataObjects::BasePeak::m_peakNumber

private

Definition at line 159 of file BasePeak.h.

Referenced by getPeakNumber(), operator=(), and setPeakNumber().

◆ m_peakShape

Mantid::Geometry::PeakShape_const_sptr Mantid::DataObjects::BasePeak::m_peakShape

private

Peak shape.

Definition at line 164 of file BasePeak.h.

Referenced by getPeakShape(), operator=(), and setPeakShape().

◆ m_runNumber

int Mantid::DataObjects::BasePeak::m_runNumber

private

Originating run number for this peak.

Definition at line 154 of file BasePeak.h.

Referenced by getRunNumber(), operator=(), and setRunNumber().

◆ m_samplePos

Mantid::Kernel::V3D Mantid::DataObjects::BasePeak::m_samplePos

protected

Cached sample position.

Definition at line 122 of file BasePeak.h.

◆ m_sigmaIntensity

double Mantid::DataObjects::BasePeak::m_sigmaIntensity

private

Error (sigma) on peak intensity.

Definition at line 138 of file BasePeak.h.

Referenced by getIntensityOverSigma(), getSigmaIntensity(), operator=(), and setSigmaIntensity().

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

Framework/DataObjects/inc/MantidDataObjects/BasePeak.h
Framework/DataObjects/src/BasePeak.cpp

Public Member Functions

Protected Member Functions

Protected Attributes

Private Attributes

Static Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ BasePeak() [1/5]

◆ BasePeak() [2/5]

◆ BasePeak() [3/5]

◆ BasePeak() [4/5]

◆ BasePeak() [5/5]

Member Function Documentation

◆ calculateWavelengthFromQLab()

◆ getAbsorptionWeightedPathLength()

◆ getBinCount()

◆ getGoniometerMatrix()

◆ getH()

◆ getHKL()

◆ getIntensity()

◆ getIntensityOverSigma()

◆ getIntHKL()

◆ getIntMNP()

◆ getInverseGoniometerMatrix()

◆ getK()

◆ getL()

◆ getMonitorCount()

◆ getPeakNumber()

◆ getPeakShape()

◆ getRunNumber()

◆ getSamplePos()

◆ getSigmaIntensity()

◆ getValueByColName()

◆ isIndexed()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ setAbsorptionWeightedPathLength()

◆ setBinCount()

◆ setGoniometerMatrix()

◆ setH()

◆ setHKL() [1/2]

◆ setHKL() [2/2]

◆ setIntensity()

◆ setIntHKL()

◆ setIntMNP()

◆ setK()

◆ setL()

◆ setMonitorCount()

◆ setPeakNumber()

◆ setPeakShape() [1/2]

◆ setPeakShape() [2/2]

◆ setRunNumber()

◆ setSamplePos() [1/2]

◆ setSamplePos() [2/2]

◆ setSigmaIntensity()

Member Data Documentation

◆ g_log

◆ m_absorptionWeightedPathLength

◆ m_binCount

◆ m_convention

◆ m_GoniometerMatrix

◆ m_H

◆ m_intensity

◆ m_intHKL

◆ m_intMNP

◆ m_InverseGoniometerMatrix

◆ m_K

◆ m_L

◆ m_monitorCount

◆ m_peakNumber

◆ m_peakShape

◆ m_runNumber

◆ m_samplePos

◆ m_sigmaIntensity