Implements a specialized function that encapsulates the combination of ComptonProfile functions that give the Neutron count rate. More...

#include <ComptonScatteringCountRate.h>

Inheritance diagram for Mantid::CurveFitting::Functions::ComptonScatteringCountRate:

Public Member Functions
	ComptonScatteringCountRate ()
	Constructor. More...

Public Member Functions inherited from Mantid::API::CompositeFunction
double	activeParameter (size_t i) const override
	Value of i-th active parameter. More...

virtual size_t	addFunction (IFunction_sptr f)
	Add a function at the back of the internal function list. More...

void	applyTies () override
	Apply the ties. More...

std::size_t	attributeFunctionIndex (std::size_t i) const
	Get the index of the function to which parameter i belongs. More...

std::string	attributeName (size_t i) const override
	Returns the name of attribute i. More...

void	checkFunction ()
	Check the function. More...

void	clear ()
	Remove all member functions. More...

void	clearTies () override
	Remove all ties. More...

	CompositeFunction ()
	Default constructor. More...

std::vector< std::shared_ptr< IFunction > >	createEquivalentFunctions () const override
	Split this function (if needed) into a list of independent functions. More...

std::string	descriptionOfActive (size_t i) const override
	Returns the name of active parameter i. More...

void	function (const FunctionDomain &domain, FunctionValues &values) const override
	Function you want to fit to. More...

void	functionDeriv (const FunctionDomain &domain, Jacobian &jacobian) override
	Derivatives of function with respect to active parameters. More...

std::size_t	functionIndex (const std::string &functionName) const
	Get the first function index with a matching function name. More...

std::size_t	functionIndex (std::size_t i) const
	Get the function index. More...

Attribute	getAttribute (const std::string &name) const override
	Return a value of attribute attName. More...

IConstraint *	getConstraint (size_t i) const override
	Get constraint of i-th parameter. More...

IFunction_sptr	getContainingFunction (const ParameterReference &ref) const
	Get the containing function. More...

double	getError (const std::string &name) const override
	Get the fitting error for a parameter by name. More...

double	getError (size_t i) const override
	Get the fitting error for a parameter. More...

double	getError (size_t i, size_t j) const
	Get the fitting error for i-th function's j-th parameter. More...

IFunction_sptr	getFunction (std::size_t i) const override
	Returns the pointer to i-th function. More...

virtual Attribute	getLocalAttribute (size_t i, const std::string &attName) const
	Return a value of attribute attName. More...

virtual std::vector< std::string >	getLocalAttributeNames () const
	Returns a list of attribute names. More...

size_t	getNumberDomains () const override
	Get number of domains required by this function. More...

double	getParameter (const std::string &name) const override
	Get parameter by name. More...

double	getParameter (size_t i) const override
	Get i-th parameter. More...

double	getParameter (size_t i, size_t j) const
	Get parameter from i-th function, j-th local parameter index. More...

size_t	getParameterIndex (const ParameterReference &ref) const override
	Return parameter index from a parameter reference. More...

ParameterStatus	getParameterStatus (size_t i) const override
	Get status of parameter. More...

ParameterTie *	getTie (size_t i) const override
	Get the tie of i-th parameter. More...

bool	hasAttribute (const std::string &name) const override
	Check if a function has an attribute with this name. More...

bool	hasFunction (const std::string &functionName) const
	Returns true if the composite has at least one of this function. More...

virtual bool	hasLocalAttribute (const std::string &) const
	Check if attribute attName exists. More...

bool	hasParameter (const std::string &name) const override
	Check if function has a parameter with this name. More...

bool	isExplicitlySet (size_t i) const override
	Checks if a parameter has been set explicitly. More...

std::string	name () const override
	Returns the function's name. More...

std::string	nameOfActive (size_t i) const override
	Returns the name of active parameter i. More...

size_t	nAttributes () const override
	Returns the number of attributes associated with the function. More...

std::size_t	nFunctions () const override
	Number of functions. More...

size_t	nGlobalAttributes () const noexcept

virtual size_t	nLocalAttributes () const
	Returns the number of attributes associated with the function. More...

size_t	nParams () const override
	Total number of parameters. More...

std::string	parameterDescription (size_t i) const override
	Returns the description of parameter i. More...

size_t	parameterIndex (const std::string &name) const override
	Returns the index of parameter name. More...

size_t	parameterLocalIndex (size_t i, bool recursive=false) const
	Returns the index of parameter i as it declared in its function. More...

std::string	parameterLocalName (size_t i, bool recursive=false) const
	Returns the name of parameter i as it declared in its function. More...

std::string	parameterName (size_t i) const override
	Returns the name of parameter i. More...

std::string	parameterName (size_t i, size_t j) const
	Returns the name of i-th function's j-th parameter. More...

void	registerFunctionUsage (bool internal) override
	Registers the usage of the function with the UsageService. More...

void	removeConstraint (const std::string &parName) override
	Remove a constraint. More...

void	removeFunction (size_t i)
	Remove a function. More...

virtual void	removeTie (const std::string &parName)
	Removes the tie off a parameter. More...

virtual bool	removeTie (size_t i)
	Removes i-th parameter's tie. More...

bool	removeTie (size_t i) override
	Removes i-th parameter's tie. More...

void	replaceFunction (size_t functionIndex, const IFunction_sptr &f)
	Replace a function. More...

void	replaceFunctionPtr (const IFunction_sptr &f_old, const IFunction_sptr &f_new)
	Replace a function. More...

void	setActiveParameter (size_t i, double value) override
	Set new value of i-th active parameter. More...

void	setAttribute (const std::string &name, const API::IFunction::Attribute &value) override
	Set a value of a named attribute. More...

void	setError (const std::string &name, double err) override
	Set the fitting error for a parameter by name. More...

void	setError (size_t i, double err) override
	Set the fitting error for a parameter. More...

virtual void	setLocalAttribute (size_t i, const std::string &attName, const Attribute &)
	Set a value to attribute attName. More...

void	setLocalAttributeValue (size_t i, const std::string &attName, const char *value)

template<typename T >
void	setLocalAttributeValue (size_t i, const std::string &attName, const T &value)

void	setMatrixWorkspace (std::shared_ptr< const API::MatrixWorkspace > workspace, size_t wi, double startX, double endX) override
	Set matrix workspace. More...

void	setParameter (const std::string &name, const double &value, bool explicitlySet=true) override
	Set parameter by name. More...

void	setParameter (size_t, const double &value, bool explicitlySet=true) override
	Set i-th parameter. More...

void	setParameterDescription (const std::string &name, const std::string &description) override
	Set description of parameter by name. More...

void	setParameterDescription (size_t, const std::string &description) override
	Set i-th parameter description. More...

void	setParameterStatus (size_t i, ParameterStatus status) override
	Change status of parameter. More...

void	setStepSizeMethod (const StepSizeMethod stepSizeMethod) override
	Sets the function to use when calculating the step size. More...

void	setUpForFit () override
	Prepare function for a fit. More...

void	setWorkspace (std::shared_ptr< const Workspace > ws) override
	Sets the workspace for each member function. More...

void	updateActive (const double *in)
	Update parameters after a fitting iteration. More...

Public Member Functions inherited from Mantid::API::IFunction
std::string	asString () const
	Writes itself into a string. More...

bool	cancellationRequestReceived () const
	Returns true if a progress reporter is set & evalaution has been requested to stop. More...

virtual const std::vector< std::string >	categories () const
	Function to return all of the categories that contain this algorithm. More...

virtual const std::string	category () const
	The categories the Fit function belong to. More...

virtual const std::string	categorySeparator () const
	Function to return the sperator token for the category string. More...

virtual std::shared_ptr< IFunction >	clone () const
	Virtual copy constructor. More...

virtual int64_t	estimateNoProgressCalls () const
	Returns an estimate of the number of progress reports a single evaluation of the function will have. More...

virtual void	function (const FunctionDomain &domain, FunctionValues &values) const =0
	Evaluates the function for all arguments in the domain. More...

virtual void	functionDeriv (const FunctionDomain &domain, Jacobian &jacobian)
	Derivatives of function with respect to active parameters. More...

	IFunction ()
	Constructor. More...

	IFunction (const IFunction &)=delete
	No copying. More...

virtual void	initialize ()
	Iinialize the function. More...

virtual void	iterationFinished ()
	Called at the end of an iteration. More...

virtual void	iterationStarting ()
	Called at the start of each iteration. More...

virtual std::string	name () const =0
	Returns the function's name. More...

IFunction &	operator= (const IFunction &)=delete
	No copying. More...

virtual void	registerFunctionUsage (bool internal)
	Registers the usage of the algorithm with the UsageService. More...

void	reportProgress (const std::string &msg="") const
	Reports progress with an optional message. More...

virtual void	setMatrixWorkspace (std::shared_ptr< const API::MatrixWorkspace > workspace, size_t wi, double startX, double endX)
	Set matrix workspace. More...

void	setProgressReporter (std::shared_ptr< Kernel::ProgressBase > reporter)
	Attach a progress reporter. More...

virtual void	setWorkspace (std::shared_ptr< const Workspace > ws)
	Set the workspace. More...

virtual	~IFunction ()
	Virtual destructor. More...

bool	isFixed (size_t i) const
	Check if a parameter i is fixed. More...

bool	isFixedByDefault (size_t i) const
	Check if a parameter i is fixed by default (not by user). More...

void	fix (size_t i, bool isDefault=false)
	Removes a parameter i from the list of active. More...

void	unfix (size_t i)
	Restores a declared parameter i to the active status. More...

void	fixParameter (const std::string &name, bool isDefault=false)
	Fix a parameter. More...

void	unfixParameter (const std::string &name)
	Free a parameter. More...

void	fixAll (bool isDefault=false)
	Fix all parameters. More...

void	unfixAll ()
	Free all parameters. More...

void	unfixAllDefault ()
	Free all parameters fixed by default. More...

void	fixAllActive (bool isDefault=false)
	Fix all active parameters. More...

std::vector< std::string >	getParameterNames () const
	Return a vector with all parameter names. More...

bool	isActive (size_t i) const
	Check if an active parameter i is actually active. More...

virtual void	tie (const std::string &parName, const std::string &expr, bool isDefault=false)
	Tie a parameter to other parameters (or a constant) More...

virtual void	addTies (const std::string &ties, bool isDefault=false)
	Add several ties. More...

virtual bool	ignoreTie (const ParameterTie &) const
	Ignore a tie. More...

void	sortTies ()
	Put all ties in order in which they will be applied correctly. More...

std::string	writeTies () const
	Write a parameter tie to a string. More...

virtual void	addConstraints (const std::string &str, bool isDefault=false)
	Add a list of conatraints from a string. More...

virtual void	addConstraint (std::unique_ptr< IConstraint > ic)
	Add a constraint to function. More...

virtual void	setConstraintPenaltyFactor (const std::string &parName, const double &c)
	Set a constraint penalty. More...

std::string	writeConstraints () const
	Write a parameter constraint to a string. More...

virtual void	clearConstraints ()
	Remove all constraints. More...

virtual std::vector< std::string >	getAttributeNames () const
	Returns a list of attribute names. More...

template<typename T >
void	setAttributeValue (const std::string &attName, const T &value)
	Set an attribute value. More...

void	setAttributeValue (const std::string &attName, const char *value)
	Overload for const char* values. More...

void	setAttributeValue (const std::string &attName, const std::string &value)
	Set string attribute by value. More...

virtual std::shared_ptr< IFunction >	getFunction (size_t i) const
	Returns the pointer to i-th child function. More...

virtual size_t	getValuesSize (const FunctionDomain &domain) const
	Get number of values for a given domain. More...

void	calNumericalDeriv (const FunctionDomain &domain, Jacobian &jacobian)
	Calculate numerical derivatives. More...

double	calculateStepSize (const double parameterValue) const
	Calculate step size for the given parameter value. More...

void	setCovarianceMatrix (const std::shared_ptr< Kernel::Matrix< double > > &covar)
	Set the covariance matrix. More...

std::shared_ptr< const Kernel::Matrix< double > >	getCovarianceMatrix () const
	Get the covariance matrix. More...

void	setReducedChiSquared (double chi2)
	Set the reduced chi^2. More...

double	getReducedChiSquared () const
	Get the reduced chi^2. More...

void	setParallel (bool on)
	Set the parallel hint. More...

bool	isParallel () const
	Get the parallel hint. More...

void	setHandler (std::unique_ptr< FunctionHandler > handler)
	Set a function handler. More...

FunctionHandler *	getHandler () const
	Return the handler. More...

Private Member Functions
void	cacheBackground (const API::IFunction1D_sptr &function1D, const size_t paramsOffset)
	Cache parameters positions for background function. More...

void	cacheComptonProfile (const std::shared_ptr< ComptonProfile > &profile, const size_t paramsOffset)
	Cache ptr to the individual profile and its parameters. More...

void	cacheFunctions ()
	Cache ptrs to the individual profiles and their parameters. More...

void	createConstraintMatrices ()
	Set up the constraint matrices. More...

void	createEqualityCM (const size_t nmasses)
	Set up equality constraint matrix. More...

void	createPositivityCM ()
	Set up positivity constraint matrix. More...

void	iterationStarting () override
	Called by the framework just before an iteration is starting. More...

std::string	name () const override
	String identifier. More...

void	parseIntensityConstraintMatrix (const std::string &value)
	Takes the string & constructs the constraint matrix. More...

void	setAttribute (const std::string &name, const Attribute &value) override
	Set an attribute value (and possibly cache its value) More...

void	setFixedParameterValues (const std::vector< double > &values)
	Set the fixed parameters to the given values. More...

void	setMatrixWorkspace (std::shared_ptr< const API::MatrixWorkspace > matrix, size_t wsIndex, double startX, double endX) override
	Cache reference to workspace for use in setupForFit. More...

void	updateCMatrixValues () const
	Refresh the values of the C matrix for this evaluation. More...

Private Attributes
std::string	m_bkgdOrderAttr
	Name of order attribute on background function. More...

int	m_bkgdPolyN
	The order of the background. More...

Kernel::DblMatrix	m_cmatrix
	Positivity constraints on J(y) More...

std::vector< double >	m_dataErrorRatio
	Ratio of data & errors. More...

Kernel::DblMatrix	m_eqMatrix
	Intensity equality constraints. More...

std::vector< size_t >	m_fixedParamIndices
	Store parameter indices of intensity parameters that are fixed. More...

std::shared_ptr< HistogramData::Histogram >	m_hist
	The histogram of the matrix workspace being cached for use. More...

std::vector< ComptonProfile * >	m_profiles
	Holder for non-owning functions cast as ComptonProfiles. More...

size_t	wsIndex
	The workspace index being worked on. More...

Additional Inherited Members
Public Types inherited from Mantid::API::IFunction
enum	ParameterStatus { Active , Fixed , FixedByDefault , Tied }
	Describe parameter status in relation to fitting: Active: Fit varies such parameter directly. More...

enum class	StepSizeMethod { DEFAULT , SQRT_EPSILON }
	Describes the method in which the step size will be calculated: DEFAULT: Uses the traditional Mantid method of calculating the step size. More...

Static Public Member Functions inherited from Mantid::API::CompositeFunction
static std::pair< std::string, size_t >	parseName (const std::string &varName)
	Extract function index and parameter name from a variable name. More...

Protected Member Functions inherited from Mantid::API::CompositeFunction
void	declareAttribute (const std::string &name, const API::IFunction::Attribute &defaultValue)
	Declare a single attribute. More...

void	declareAttribute (const std::string &name, const API::IFunction::Attribute &defaultValue, const Kernel::IValidator &validator)
	Declare a single attribute, with a validator. More...

void	declareParameter (const std::string &name, double initValue=0, const std::string &description="") override
	Declare a new parameter. More...

void	init () override
	Function initialization. Declare function parameters in this method. More...

size_t	paramOffset (size_t i) const

std::string	writeToString (const std::string &parentLocalAttributesStr="") const override
	Writes itself into a string. More...

Protected Member Functions inherited from Mantid::API::IFunction
double	convertValue (double value, Kernel::Unit_sptr &outUnit, const std::shared_ptr< const MatrixWorkspace > &ws, size_t wsIndex) const
	Convert a value from one unit (inUnit) to unit defined in workspace (ws) More...

void	convertValue (std::vector< double > &values, Kernel::Unit_sptr &outUnit, const std::shared_ptr< const MatrixWorkspace > &ws, size_t wsIndex) const
	Convert values from unit defined in workspace (ws) to outUnit. More...

virtual void	declareAttributes ()
	Override to declare function attributes. More...

virtual void	declareParameters ()
	Override to declare function parameters. More...

void	declareAttribute (const std::string &name, const API::IFunction::Attribute &defaultValue)
	Declare a single attribute. More...

void	declareAttribute (const std::string &name, const API::IFunction::Attribute &defaultValue, const Kernel::IValidator &validator)
	Declare a single attribute with validator. More...

void	checkAttributeName (const std::string &name)
	Check Attribute to declare does not already exist. More...

void	storeAttributeValue (const std::string &name, const API::IFunction::Attribute &value)
	Store an attribute's value. More...

void	storeReadOnlyAttribute (const std::string &name, const API::IFunction::Attribute &value) const
	A read-only ("mutable") attribute can be stored in a const method. More...

virtual void	addTie (std::unique_ptr< ParameterTie > tie)
	Add a new tie. Derived classes must provide storage for ties. More...

bool	hasOrderedTies () const

void	applyOrderedTies ()

Protected Attributes inherited from Mantid::API::IFunction
bool	m_isParallel
	Flag to hint that the function is being used in parallel computations. More...

std::unique_ptr< FunctionHandler >	m_handler
	Pointer to a function handler. More...

std::shared_ptr< Kernel::ProgressBase >	m_progReporter
	Pointer to the progress handler. More...

Detailed Description

Implements a specialized function that encapsulates the combination of ComptonProfile functions that give the Neutron count rate.

Definition at line 22 of file ComptonScatteringCountRate.h.

Constructor & Destructor Documentation

◆ ComptonScatteringCountRate()

Mantid::CurveFitting::Functions::ComptonScatteringCountRate::ComptonScatteringCountRate ( )

Constructor.

Definition at line 34 of file ComptonScatteringCountRate.cpp.

Member Function Documentation

◆ cacheBackground()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::cacheBackground	(	const API::IFunction1D_sptr &	function1D,
		const size_t	paramsOffset
	)

private

Cache parameters positions for background function.

Parameters

function1D	Function of type IFunction1D
paramsOffset	The offset of the given function's parameters within composite

Definition at line 312 of file ComptonScatteringCountRate.cpp.

References m_bkgdOrderAttr, m_bkgdPolyN, m_fixedParamIndices, Mantid::API::CompositeFunction::setParameterStatus(), and Mantid::API::IFunction::Tied.

Referenced by cacheFunctions().

◆ cacheComptonProfile()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::cacheComptonProfile	(	const std::shared_ptr< ComptonProfile > &	profile,
		const size_t	paramsOffset
	)

private

Cache ptr to the individual profile and its parameters.

Parameters

profile	Function of type ComptonProfile
paramsOffset	The offset of the given function's parameters within composite

Definition at line 296 of file ComptonScatteringCountRate.cpp.

References m_fixedParamIndices, m_profiles, Mantid::API::CompositeFunction::setParameterStatus(), and Mantid::API::IFunction::Tied.

Referenced by cacheFunctions().

◆ cacheFunctions()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::cacheFunctions ( )

private

Cache ptrs to the individual profiles and their parameters.

Definition at line 260 of file ComptonScatteringCountRate.cpp.

References cacheBackground(), cacheComptonProfile(), Mantid::API::CompositeFunction::getFunction(), m_fixedParamIndices, m_profiles, Mantid::API::CompositeFunction::nFunctions(), and Mantid::API::CompositeFunction::paramOffset().

Referenced by setMatrixWorkspace().

◆ createConstraintMatrices()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::createConstraintMatrices ( )

private

Set up the constraint matrices.

Definition at line 341 of file ComptonScatteringCountRate.cpp.

References createEqualityCM(), createPositivityCM(), Mantid::Kernel::Logger::debug(), Mantid::API::g_log, Mantid::Kernel::Logger::is(), m_eqMatrix, m_profiles, Mantid::Kernel::Matrix< T >::numCols(), and Mantid::Kernel::Matrix< T >::numRows().

Referenced by setMatrixWorkspace().

◆ createEqualityCM()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::createEqualityCM ( const size_t nmasses )

private

Set up equality constraint matrix.

Parameters

nmasses The number of distinct masses being fitted

Definition at line 402 of file ComptonScatteringCountRate.cpp.

References m_bkgdPolyN, m_cmatrix, m_eqMatrix, m_fixedParamIndices, Mantid::Kernel::Matrix< T >::numCols(), and Mantid::Kernel::Matrix< T >::numRows().

Referenced by createConstraintMatrices().

◆ createPositivityCM()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::createPositivityCM ( )

private

Set up positivity constraint matrix.

Definition at line 368 of file ComptonScatteringCountRate.cpp.

References m_bkgdPolyN, m_cmatrix, m_fixedParamIndices, m_hist, and nrows.

Referenced by createConstraintMatrices().

◆ iterationStarting()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::iterationStarting ( )

overrideprivatevirtual

Called by the framework just before an iteration is starting.

Calculates the new values for the intensity coefficents.

Before calling the functions that make up the composite perform a least-square minimization to compute the values of the intensity coefficients so that they can be taken out of the fit essentially. This also applies the intensity constraints supplied by the user. The required parameters have been fixed by setupForFit

It is required that we minimize 0.5*||Cx-d||^2, where C is a matrix of J*(y) values from each intensity coefficient. This minimization is subject to the following constraints:

Cx >= 0, where C is the same matrix of J(y) values above Ax = 0, where A is the intensity constraints supplied by the user

Reimplemented from Mantid::API::IFunction.

Definition at line 132 of file ComptonScatteringCountRate.cpp.

References m_bkgdPolyN, m_cmatrix, m_dataErrorRatio, m_eqMatrix, Mantid::Kernel::Math::SLSQPMinimizer::minimize(), Mantid::CurveFitting::AugmentedLagrangianOptimizer::minimize(), Mantid::Kernel::Matrix< T >::numCols(), setFixedParameterValues(), and updateCMatrixValues().

◆ name()

std::string Mantid::CurveFitting::Functions::ComptonScatteringCountRate::name ( ) const

inlineoverrideprivatevirtual

String identifier.

Reimplemented from Mantid::API::CompositeFunction.

Definition at line 29 of file ComptonScatteringCountRate.h.

Referenced by setAttribute().

◆ parseIntensityConstraintMatrix()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::parseIntensityConstraintMatrix ( const std::string & value )

private

Takes the string & constructs the constraint matrix.

Parameters

value The string is assumed to be of the form "[0 1 0][1 1 0]..." where each [] pair specifies the row and the number of columns is given by the number of entries within the brackets. The number of columns must ultimately match the total number of intensities within the problem

Definition at line 66 of file ComptonScatteringCountRate.cpp.

References Mantid::Kernel::fillFromStream(), m_eqMatrix, and value.

Referenced by setAttribute().

◆ setAttribute()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::setAttribute	(	const std::string &	name,
		const Attribute &	value
	)

overrideprivatevirtual

Set an attribute value (and possibly cache its value)

Parameters

name	The name of the attribute that is being set
value	The attribute's value

Reimplemented from Mantid::API::CompositeFunction.

Definition at line 50 of file ComptonScatteringCountRate.cpp.

References m_bkgdOrderAttr, name(), parseIntensityConstraintMatrix(), Mantid::API::CompositeFunction::setAttribute(), and value.

◆ setFixedParameterValues()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::setFixedParameterValues ( const std::vector< double > & values )

private

Set the fixed parameters to the given values.

Set the first N fixed parameters to the values given by the N values vector.

Parameters

values A new set of N values to set

Definition at line 179 of file ComptonScatteringCountRate.cpp.

References Mantid::Kernel::Logger::debug(), Mantid::API::g_log, Mantid::Kernel::Logger::is(), m_fixedParamIndices, and Mantid::API::CompositeFunction::setParameter().

Referenced by iterationStarting().

◆ setMatrixWorkspace()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::setMatrixWorkspace	(	std::shared_ptr< const API::MatrixWorkspace >	matrix,
		size_t	wsIndex,
		double	startX,
		double	endX
	)

overrideprivatevirtual

Cache reference to workspace for use in setupForFit.

Cache workspace reference.

Expects a MatrixWorkspace

Parameters

matrix	A shared_ptr to a Workspace
wsIndex	A workspace index
startX	Starting x-value (unused).
endX	Ending x-value (unused).

Reimplemented from Mantid::API::CompositeFunction.

Definition at line 231 of file ComptonScatteringCountRate.cpp.

References cacheFunctions(), createConstraintMatrices(), Mantid::Kernel::Logger::debug(), Mantid::API::g_log, Mantid::Kernel::Logger::is(), m_dataErrorRatio, m_hist, Mantid::API::CompositeFunction::setMatrixWorkspace(), and wsIndex.

◆ updateCMatrixValues()

void Mantid::CurveFitting::Functions::ComptonScatteringCountRate::updateCMatrixValues ( ) const

private

Refresh the values of the C matrix for this evaluation.

Fills the pre-allocated C matrix with the appropriate values.

Definition at line 198 of file ComptonScatteringCountRate.cpp.

References Mantid::Kernel::Logger::debug(), Mantid::API::g_log, Mantid::Kernel::Logger::is(), m_bkgdPolyN, m_cmatrix, m_hist, m_profiles, Mantid::Kernel::Matrix< T >::numCols(), and Mantid::Kernel::Matrix< T >::numRows().

Referenced by iterationStarting().

Member Data Documentation

◆ m_bkgdOrderAttr

std::string Mantid::CurveFitting::Functions::ComptonScatteringCountRate::m_bkgdOrderAttr

private

Name of order attribute on background function.

Definition at line 67 of file ComptonScatteringCountRate.h.

Referenced by cacheBackground(), and setAttribute().

◆ m_bkgdPolyN

int Mantid::CurveFitting::Functions::ComptonScatteringCountRate::m_bkgdPolyN

private

The order of the background.

Definition at line 69 of file ComptonScatteringCountRate.h.

Referenced by cacheBackground(), createEqualityCM(), createPositivityCM(), iterationStarting(), and updateCMatrixValues().

◆ m_cmatrix

Kernel::DblMatrix Mantid::CurveFitting::Functions::ComptonScatteringCountRate::m_cmatrix

mutableprivate

Positivity constraints on J(y)

Definition at line 63 of file ComptonScatteringCountRate.h.

Referenced by createEqualityCM(), createPositivityCM(), iterationStarting(), and updateCMatrixValues().

◆ m_dataErrorRatio

std::vector<double> Mantid::CurveFitting::Functions::ComptonScatteringCountRate::m_dataErrorRatio

private

Ratio of data & errors.

Definition at line 75 of file ComptonScatteringCountRate.h.

Referenced by iterationStarting(), and setMatrixWorkspace().

◆ m_eqMatrix

Kernel::DblMatrix Mantid::CurveFitting::Functions::ComptonScatteringCountRate::m_eqMatrix

private

Intensity equality constraints.

Definition at line 65 of file ComptonScatteringCountRate.h.

Referenced by createConstraintMatrices(), createEqualityCM(), iterationStarting(), and parseIntensityConstraintMatrix().

◆ m_fixedParamIndices

std::vector<size_t> Mantid::CurveFitting::Functions::ComptonScatteringCountRate::m_fixedParamIndices

private

Store parameter indices of intensity parameters that are fixed.

Definition at line 61 of file ComptonScatteringCountRate.h.

Referenced by cacheBackground(), cacheComptonProfile(), cacheFunctions(), createEqualityCM(), createPositivityCM(), and setFixedParameterValues().

◆ m_hist

std::shared_ptr<HistogramData::Histogram> Mantid::CurveFitting::Functions::ComptonScatteringCountRate::m_hist

private

The histogram of the matrix workspace being cached for use.

Definition at line 71 of file ComptonScatteringCountRate.h.

Referenced by createPositivityCM(), setMatrixWorkspace(), and updateCMatrixValues().

◆ m_profiles

std::vector<ComptonProfile *> Mantid::CurveFitting::Functions::ComptonScatteringCountRate::m_profiles

private

Holder for non-owning functions cast as ComptonProfiles.

Definition at line 59 of file ComptonScatteringCountRate.h.

Referenced by cacheComptonProfile(), cacheFunctions(), createConstraintMatrices(), and updateCMatrixValues().

◆ wsIndex

size_t Mantid::CurveFitting::Functions::ComptonScatteringCountRate::wsIndex

private

The workspace index being worked on.

Definition at line 73 of file ComptonScatteringCountRate.h.

Referenced by setMatrixWorkspace().

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

Framework/CurveFitting/inc/MantidCurveFitting/Functions/ComptonScatteringCountRate.h
Framework/CurveFitting/src/Functions/ComptonScatteringCountRate.cpp

Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ ComptonScatteringCountRate()

Member Function Documentation

◆ cacheBackground()

◆ cacheComptonProfile()

◆ cacheFunctions()

◆ createConstraintMatrices()

◆ createEqualityCM()

◆ createPositivityCM()

◆ iterationStarting()

◆ name()

◆ parseIntensityConstraintMatrix()

◆ setAttribute()

◆ setFixedParameterValues()

◆ setMatrixWorkspace()

◆ updateCMatrixValues()

Member Data Documentation

◆ m_bkgdOrderAttr

◆ m_bkgdPolyN

◆ m_cmatrix

◆ m_dataErrorRatio

◆ m_eqMatrix

◆ m_fixedParamIndices

◆ m_hist

◆ m_profiles

◆ wsIndex