#include <PeakFunctionIntegrator.h>

Public Member Functions
IntegrationResult	integrate (const IPeakFunction &peakFunction, double lowerLimit, double upperLimit) const
	Integration of peak function on the interval [a, b]. More...

double	integrateError (const IPeakFunction &peakFunction, double lowerLimit, double upperLimit) const
	Error in the integrated intensity within an continuous interval due to uncertainties in the values of the fit parameters. More...

IntegrationResult	integrateInfinity (const IPeakFunction &peakFunction) const
	Integration of peak function on the interval [-Inf, +Inf]. More...

IntegrationResult	integrateNegativeInfinity (const IPeakFunction &peakFunction, double upperLimit) const
	Integration of peak function on the interval [-Inf, b]. More...

IntegrationResult	integratePositiveInfinity (const IPeakFunction &peakFunction, double lowerLimit) const
	Integration of peak function on the interval [a, +Inf]. More...

	PeakFunctionIntegrator (double requiredRelativePrecision=1e-8)
	Constructor with required relative precision argument. More...

double	requiredRelativePrecision () const
	Returns the currently set precision. More...

void	setRequiredRelativePrecision (double newPrecision)
	This method sets the desired numerical relative precision that's passed on to the GSL integration-routines. More...

virtual	~PeakFunctionIntegrator ()

Protected Member Functions
gsl_function	getGSLFunction (const IPeakFunction &peakFunction) const
	Method that wraps an IPeakFunction for use with GSL functions. More...

Protected Attributes
gsl_integration_workspace *	m_integrationWorkspace

double	m_relativePrecision

Detailed Description

Definition at line 37 of file PeakFunctionIntegrator.h.

Constructor & Destructor Documentation

◆ PeakFunctionIntegrator()

Mantid::API::PeakFunctionIntegrator::PeakFunctionIntegrator ( double requiredRelativePrecision = 1e-8 )

Constructor with required relative precision argument.

The default is 1e-8. See also PeakFunctionIntegrator::setRequiredRelativePrecision.

Parameters

requiredRelativePrecision :: Desired relative precision of the integral estimations.

Definition at line 20 of file PeakFunctionIntegrator.cpp.

◆ ~PeakFunctionIntegrator()

Mantid::API::PeakFunctionIntegrator::~PeakFunctionIntegrator ( )

virtual

Definition at line 29 of file PeakFunctionIntegrator.cpp.

References m_integrationWorkspace.

Member Function Documentation

◆ getGSLFunction()

gsl_function Mantid::API::PeakFunctionIntegrator::getGSLFunction ( const IPeakFunction & peakFunction ) const

protected

Method that wraps an IPeakFunction for use with GSL functions.

Parameters

peakFunction :: Peak function to wrap.

Definition at line 181 of file PeakFunctionIntegrator.cpp.

References Mantid::API::gsl_peak_wrapper().

Referenced by integrate(), integrateInfinity(), integrateNegativeInfinity(), and integratePositiveInfinity().

◆ integrate()

IntegrationResult Mantid::API::PeakFunctionIntegrator::integrate	(	const IPeakFunction &	peakFunction,
		double	lowerLimit,
		double	upperLimit
	)		const

Integration of peak function on the interval [a, b].

Internally, gsl_integration_qags is used for this.

Parameters

peakFunction	:: Peak function to integrate.
lowerLimit	:: Lower limit of the integration.
upperLimit	:: Upper limit of the integration.

Definition at line 109 of file PeakFunctionIntegrator.cpp.

References Mantid::API::IntegrationResult::error, Mantid::API::IntegrationResult::errorCode, getGSLFunction(), Mantid::API::IntegrationResult::intervals, m_integrationWorkspace, m_relativePrecision, Mantid::API::IntegrationResult::result, and Mantid::API::IntegrationResult::success.

Referenced by Mantid::API::IPeakFunction::integrate(), integrateError(), and Mantid::CurveFitting::Functions::IkedaCarpenterPV::intensity().

◆ integrateError()

double Mantid::API::PeakFunctionIntegrator::integrateError	(	const IPeakFunction &	peakFunction,
		double	lowerLimit,
		double	upperLimit
	)		const

Error in the integrated intensity within an continuous interval due to uncertainties in the values of the fit parameters.

if the peak function contains no fit-parameter uncertainties, then the integration error is set to NaN. Also, this function assumes no correlation between the fit parameters, so that their corresponding errors are summed up in quadrature.

Parameters

peakFunction	the peak function to integrate
lowerLimit	lower limit of the interval over which we integrate
upperLimit	upper limit of the interval over which we integrate

Definition at line 132 of file PeakFunctionIntegrator.cpp.

References Mantid::API::IFunction::clone(), error, Mantid::API::ParamFunction::getError(), Mantid::API::ParamFunction::getParameter(), integrate(), and Mantid::API::ParamFunction::nParams().

Referenced by Mantid::API::IPeakFunction::intensityError().

◆ integrateInfinity()

IntegrationResult Mantid::API::PeakFunctionIntegrator::integrateInfinity ( const IPeakFunction & peakFunction ) const

Integration of peak function on the interval [-Inf, +Inf].

Internally, gsl_integration_qagi is used for this. The results are returned as IntegrationResult-struct, which contains the approximation of the integral along with other information such as an error estimate (absolute).

Parameters

peakFunction :: Peak function to integrate.

Definition at line 49 of file PeakFunctionIntegrator.cpp.

References Mantid::API::IntegrationResult::error, Mantid::API::IntegrationResult::errorCode, getGSLFunction(), Mantid::API::IntegrationResult::intervals, m_integrationWorkspace, m_relativePrecision, Mantid::API::IntegrationResult::result, and Mantid::API::IntegrationResult::success.

◆ integrateNegativeInfinity()

IntegrationResult Mantid::API::PeakFunctionIntegrator::integrateNegativeInfinity	(	const IPeakFunction &	peakFunction,
		double	upperLimit
	)		const

Integration of peak function on the interval [-Inf, b].

Internally, gsl_integration_qagil is used for this.

Parameters

peakFunction	:: Peak function to integrate.
upperLimit	:: Upper limit of the integration.

Definition at line 88 of file PeakFunctionIntegrator.cpp.

References Mantid::API::IntegrationResult::error, Mantid::API::IntegrationResult::errorCode, getGSLFunction(), Mantid::API::IntegrationResult::intervals, m_integrationWorkspace, m_relativePrecision, Mantid::API::IntegrationResult::result, and Mantid::API::IntegrationResult::success.

◆ integratePositiveInfinity()

IntegrationResult Mantid::API::PeakFunctionIntegrator::integratePositiveInfinity	(	const IPeakFunction &	peakFunction,
		double	lowerLimit
	)		const

Integration of peak function on the interval [a, +Inf].

Internally, gsl_integration_qagiu is used for this.

Parameters

peakFunction	:: Peak function to integrate.
lowerLimit	:: Lower limit of the integration.

Definition at line 68 of file PeakFunctionIntegrator.cpp.

References Mantid::API::IntegrationResult::error, Mantid::API::IntegrationResult::errorCode, getGSLFunction(), Mantid::API::IntegrationResult::intervals, m_integrationWorkspace, m_relativePrecision, Mantid::API::IntegrationResult::result, and Mantid::API::IntegrationResult::success.

◆ requiredRelativePrecision()

double Mantid::API::PeakFunctionIntegrator::requiredRelativePrecision ( ) const

Returns the currently set precision.

Definition at line 40 of file PeakFunctionIntegrator.cpp.

References m_relativePrecision.

◆ setRequiredRelativePrecision()

void Mantid::API::PeakFunctionIntegrator::setRequiredRelativePrecision ( double newPrecision )

This method sets the desired numerical relative precision that's passed on to the GSL integration-routines.

Parameters

newPrecision :: Desired relative precision for integrations.

Definition at line 36 of file PeakFunctionIntegrator.cpp.

References m_relativePrecision.

Member Data Documentation

◆ m_integrationWorkspace

gsl_integration_workspace* Mantid::API::PeakFunctionIntegrator::m_integrationWorkspace

protected

Definition at line 54 of file PeakFunctionIntegrator.h.

Referenced by integrate(), integrateInfinity(), integrateNegativeInfinity(), integratePositiveInfinity(), and ~PeakFunctionIntegrator().

◆ m_relativePrecision

double Mantid::API::PeakFunctionIntegrator::m_relativePrecision

protected

Definition at line 56 of file PeakFunctionIntegrator.h.

Referenced by integrate(), integrateInfinity(), integrateNegativeInfinity(), integratePositiveInfinity(), requiredRelativePrecision(), and setRequiredRelativePrecision().

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

Framework/API/inc/MantidAPI/PeakFunctionIntegrator.h
Framework/API/src/PeakFunctionIntegrator.cpp

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ PeakFunctionIntegrator()

◆ ~PeakFunctionIntegrator()

Member Function Documentation

◆ getGSLFunction()

◆ integrate()

◆ integrateError()

◆ integrateInfinity()

◆ integrateNegativeInfinity()

◆ integratePositiveInfinity()

◆ requiredRelativePrecision()

◆ setRequiredRelativePrecision()

Member Data Documentation

◆ m_integrationWorkspace

◆ m_relativePrecision