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Public Member Functions | Protected Member Functions | List of all members
Mantid::CurveFitting::Functions::DeltaFunction Class Reference

Delta function. More...

#include <DeltaFunction.h>

Inheritance diagram for Mantid::CurveFitting::Functions::DeltaFunction:
Mantid::API::IPeakFunction Mantid::API::IFunctionWithLocation Mantid::API::ParamFunction Mantid::API::IFunction1D Mantid::API::IFunction Mantid::API::IFunction Mantid::CurveFitting::Functions::ElasticDiffRotDiscreteCircle Mantid::CurveFitting::Functions::ElasticDiffSphere Mantid::CurveFitting::Functions::ElasticIsoRotDiff

Public Member Functions

const std::string category () const override
 The categories the Fit function belong to. More...
 
double centre () const override
 overwrite IPeakFunction base class methods More...
 
 DeltaFunction ()
 Constructor. More...
 
double fwhm () const override
 Returns the peak FWHM. More...
 
double height () const override
 Returns the height of the function. More...
 
virtual double HeightPrefactor () const
 
std::string name () const override
 overwrite IFunction base class methods More...
 
void setCentre (const double c) override
 Sets the parameters such that centre == c. More...
 
void setFwhm (const double w) override
 Sets the parameters such that FWHM = w. More...
 
void setHeight (const double h) override
 Sets the parameters such that height == h. More...
 
- Public Member Functions inherited from Mantid::API::IPeakFunction
virtual void fixIntensity (bool isDefault=false)
 Fix a parameter or set up a tie such that value returned by intensity() is constant during fitting. More...
 
void function (const FunctionDomain &domain, FunctionValues &values) const override
 Evaluates the function for all arguments in the domain. More...
 
void function1D (double *out, const double *xValues, const size_t nData) const override
 General implementation of the method for all peaks. More...
 
void functionDeriv1D (Jacobian *out, const double *xValues, const size_t nData) override
 General implementation of the method for all peaks. More...
 
virtual void functionDerivLocal (Jacobian *jacobian, const double *xValues, const size_t nData)
 Derivative evaluation method. Default is to calculate numerically. More...
 
virtual void functionLocal (double *out, const double *xValues, const size_t nData) const =0
 Function evaluation method to be implemented in the inherited classes. More...
 
virtual double fwhm () const =0
 Returns the peak FWHM. More...
 
std::string getCentreParameterName () const
 Get name of parameter that is associated to centre. More...
 
virtual std::pair< double, double > getDomainInterval (double level=DEFAULT_SEARCH_LEVEL) const
 Get the interval on which the peak has all its values above a certain level. More...
 
virtual std::string getWidthParameterName () const
 Get the name of the parameter that is changed when the fwhm is changed. More...
 
virtual double intensity () const
 Returns the integral intensity of the peak. More...
 
virtual double intensityError () const
 Error in the integrated intensity of the peak due to uncertainties in the values of the fit parameters. More...
 
 IPeakFunction ()
 Constructor. More...
 
virtual void setFwhm (const double w)=0
 Sets the parameters such that FWHM = w. More...
 
virtual void setIntensity (const double newIntensity)
 Sets the integral intensity of the peak. More...
 
void setParameter (const std::string &name, const double &value, bool explicitlySet=true) override
 Override parent so that we may bust the cache when a parameter is set. More...
 
void setParameter (size_t, const double &value, bool explicitlySet=true) override
 Override parent so that we may bust the cache when a parameter is set. More...
 
virtual void unfixIntensity ()
 Free the intensity parameter. More...
 
- Public Member Functions inherited from Mantid::API::IFunctionWithLocation
virtual double centre () const =0
 Returns the centre of the function, which may be something as simple as the centre of the fitting range in the case of a background function or peak shape function this return value reflects the centre of the peak. More...
 
virtual void fixCentre (bool isDefault=false)
 Fix a parameter or set up a tie such that value returned by centre() is constant during fitting. More...
 
virtual double height () const =0
 Returns the height of the function. More...
 
virtual void setCentre (const double c)=0
 Sets the parameters such that centre == c. More...
 
virtual void setHeight (const double h)=0
 Sets the parameters such that height == h. More...
 
virtual void unfixCentre ()
 Free the centre parameter. More...
 
 ~IFunctionWithLocation () override=default
 Virtual destructor (avoids warnings about non-trivial move assignment in virtually inheriting classes) More...
 
- Public Member Functions inherited from Mantid::API::ParamFunction
IFunction_sptr getContainingFunction (const ParameterReference &ref) const
 Get the containing function. More...
 
IFunction_sptr getContainingFunction (IFunction_sptr fun)
 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 getParameter (const std::string &name) const override
 Get parameter by name. More...
 
double getParameter (size_t i) const override
 Get i-th parameter. More...
 
size_t getParameterIndex (const ParameterReference &ref) const override
 Return parameter index from a parameter reference. 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...
 
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...
 
std::string parameterName (size_t i) const override
 Returns the name of parameter i. More...
 
 ParamFunction ()
 Default constructor. 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...
 
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...
 
- 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< IFunctionclone () 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...
 
IFunctionoperator= (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...
 
virtual double activeParameter (size_t i) const
 Value of i-th active parameter. More...
 
virtual void setActiveParameter (size_t i, double value)
 Set new value of i-th active parameter. More...
 
virtual std::string nameOfActive (size_t i) const
 Returns the name of active parameter i. More...
 
virtual std::string descriptionOfActive (size_t i) const
 Returns the name of active parameter i. 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 void applyTies ()
 Apply the ties. More...
 
virtual void removeTie (const std::string &parName)
 Removes the tie off a parameter. More...
 
virtual void clearTies ()
 Remove all ties. More...
 
virtual bool removeTie (size_t i)
 Removes i-th parameter's tie. More...
 
virtual ParameterTiegetTie (size_t i) const
 Get the tie of i-th parameter. 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 IConstraintgetConstraint (size_t i) const
 Get constraint of i-th parameter. More...
 
virtual void removeConstraint (const std::string &parName)
 Remove a constraint. 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 size_t nAttributes () const
 Returns the number of attributes associated with the function. More...
 
virtual std::vector< std::string > getAttributeNames () const
 Returns a list of attribute names. More...
 
virtual std::string attributeName (size_t index) const
 Get name of ith attribute. More...
 
virtual Attribute getAttribute (const std::string &name) const
 Return a value of attribute attName. More...
 
virtual void setAttribute (const std::string &name, const Attribute &)
 Set a value to attribute attName. More...
 
virtual bool hasAttribute (const std::string &name) const
 Check if attribute attName exists. 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< IFunctiongetFunction (size_t i) const
 Returns the pointer to i-th child function. More...
 
virtual std::size_t nFunctions () const
 Number of child functions. More...
 
virtual void setUpForFit ()
 Set up the function for a fit. More...
 
virtual size_t getValuesSize (const FunctionDomain &domain) const
 Get number of values for a given domain. More...
 
virtual size_t getNumberDomains () const
 Get number of domains required by this function. More...
 
virtual std::vector< std::shared_ptr< IFunction > > createEquivalentFunctions () const
 Split this function (if needed) into a list of independent functions. 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...
 
FunctionHandlergetHandler () const
 Return the handler. More...
 
virtual void setStepSizeMethod (const StepSizeMethod method)
 Sets the StepSizeMethod to use when calculation the step size. More...
 
- Public Member Functions inherited from Mantid::API::IFunction1D
virtual void derivative (const FunctionDomain &domain, FunctionValues &values, const size_t order=1) const
 
virtual void derivative1D (double *out, const double *xValues, const size_t nData, const size_t order) const
 Function to calculate the derivatives of the data set. More...
 
void function (const FunctionDomain &domain, FunctionValues &values) const override
 Evaluates the function for all arguments in the domain. More...
 
virtual void function1D (double *out, const double *xValues, const size_t nData) const =0
 Function you want to fit to. More...
 
void functionDeriv (const FunctionDomain &domain, Jacobian &jacobian) override
 Derivatives of function with respect to active parameters. More...
 
virtual void functionDeriv1D (Jacobian *jacobian, const double *xValues, const size_t nData)
 Derivatives of function with respect to active parameters. More...
 

Protected Member Functions

void function1D (double *out, const double *xValues, const size_t nData) const override
 General implementation of the method for all peaks. More...
 
void functionDeriv1D (API::Jacobian *out, const double *xValues, const size_t nData) override
 General implementation of the method for all peaks. More...
 
void functionDerivLocal (API::Jacobian *out, const double *xValues, const size_t nData) override
 Derivative evaluation method. Default is to calculate numerically. More...
 
void functionLocal (double *out, const double *xValues, const size_t nData) const override
 Function evaluation method to be implemented in the inherited classes. More...
 
- Protected Member Functions inherited from Mantid::API::IPeakFunction
virtual IntegrationResultCache integrate () const
 
- Protected Member Functions inherited from Mantid::API::ParamFunction
void clearAllParameters ()
 Nonvirtual member which removes all declared parameters. More...
 
void declareParameter (const std::string &name, double initValue=0, const std::string &description="") override
 Declare a new parameter. More...
 
virtual double * getParameterAddress (size_t i)
 Get the address of the parameter. For use in UserFunction with mu::Parser. More...
 
ParameterStatus getParameterStatus (size_t i) const override
 Get status of parameter. More...
 
void setParameterStatus (size_t i, ParameterStatus status) override
 Change status of parameter. More...
 
- Protected Member Functions inherited from Mantid::API::IFunction
virtual void init ()
 Function initialization. Declare function parameters in this method. More...
 
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 ()
 
virtual std::string writeToString (const std::string &parentLocalAttributesStr="") const
 Writes itself into a string. More...
 
- Protected Member Functions inherited from Mantid::API::IFunction1D
template<typename EvaluationMethod >
void calcNumericalDerivative1D (Jacobian *jacobian, EvaluationMethod func1D, const double *xValues, const size_t nData)
 Calculate a numerical derivative for the 1D data. More...
 
virtual void histogram1D (double *out, double left, const double *right, const size_t nBins) const
 Calculate histogram data for the given bin boundaries. More...
 
virtual void histogramDerivative1D (Jacobian *jacobian, double left, const double *right, const size_t nBins) const
 Derivatives of the histogram1D with respect to active parameters. 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...
 
- Protected Types inherited from Mantid::API::IFunction1D
template<typename FunctionType >
using Function1DMethod = void(FunctionType::*)(double *, const double *, const size_t) const
 
- 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< FunctionHandlerm_handler
 Pointer to a function handler. More...
 
std::shared_ptr< Kernel::ProgressBasem_progReporter
 Pointer to the progress handler. More...
 
- Static Protected Attributes inherited from Mantid::API::IFunction1D
static Kernel::Logger g_log
 Logger instance. More...
 

Detailed Description

Delta function.

Makes sence in Convolution only.

Author
Roman Tolchenov, Tessella plc
Date
02/09/2010

Definition at line 27 of file DeltaFunction.h.

Constructor & Destructor Documentation

◆ DeltaFunction()

Mantid::CurveFitting::Functions::DeltaFunction::DeltaFunction ( )

Constructor.

Definition at line 24 of file DeltaFunction.cpp.

Member Function Documentation

◆ category()

const std::string Mantid::CurveFitting::Functions::DeltaFunction::category ( ) const
inlineoverridevirtual

The categories the Fit function belong to.

Categories must be listed as a semi colon separated list. For example: "General, Muon\\Custom" which adds a function to the category "General" and the sub-category "Muon\\Custom"

Reimplemented from Mantid::API::IFunction.

Reimplemented in Mantid::CurveFitting::Functions::ElasticDiffRotDiscreteCircle, Mantid::CurveFitting::Functions::ElasticDiffSphere, and Mantid::CurveFitting::Functions::ElasticIsoRotDiff.

Definition at line 42 of file DeltaFunction.h.

◆ centre()

double Mantid::CurveFitting::Functions::DeltaFunction::centre ( ) const
inlineoverridevirtual

overwrite IPeakFunction base class methods

Implements Mantid::API::IFunctionWithLocation.

Definition at line 33 of file DeltaFunction.h.

◆ function1D()

void Mantid::CurveFitting::Functions::DeltaFunction::function1D ( double *  out,
const double *  xValues,
const size_t  nData 
) const
overrideprotectedvirtual

General implementation of the method for all peaks.

Limits the peak evaluation to a certain number of FWHMs around the peak centre. The outside points are set to 0. Calls functionLocal() to compute the actual values

Parameters
out:: Output function values
xValues:: X values for data points
nData:: Number of data points

Reimplemented from Mantid::API::IPeakFunction.

Definition at line 29 of file DeltaFunction.cpp.

References UNUSED_ARG.

◆ functionDeriv1D()

void Mantid::CurveFitting::Functions::DeltaFunction::functionDeriv1D ( API::Jacobian out,
const double *  xValues,
const size_t  nData 
)
overrideprotectedvirtual

General implementation of the method for all peaks.

Calculates derivatives only for a range of x values limited to a certain number of FWHM around the peak centre. For the points outside the range all derivatives are set to 0. Calls functionDerivLocal() to compute the actual values

Parameters
out:: Derivatives
xValues:: X values for data points
nData:: Number of data points

Reimplemented from Mantid::API::IPeakFunction.

Definition at line 34 of file DeltaFunction.cpp.

References UNUSED_ARG.

◆ functionDerivLocal()

void Mantid::CurveFitting::Functions::DeltaFunction::functionDerivLocal ( API::Jacobian jacobian,
const double *  xValues,
const size_t  nData 
)
inlineoverrideprotectedvirtual

Derivative evaluation method. Default is to calculate numerically.

Computes the function derivative numerically.

Parameters
jacobianAn output Jacobian to receive the calculated values
xValuesAn input array of X data
nDataThe number of X values provided

Reimplemented from Mantid::API::IPeakFunction.

Definition at line 52 of file DeltaFunction.h.

References UNUSED_ARG.

◆ functionLocal()

void Mantid::CurveFitting::Functions::DeltaFunction::functionLocal ( double *  out,
const double *  xValues,
const size_t  nData 
) const
inlineoverrideprotectedvirtual

Function evaluation method to be implemented in the inherited classes.

Implements Mantid::API::IPeakFunction.

Definition at line 47 of file DeltaFunction.h.

References UNUSED_ARG.

◆ fwhm()

double Mantid::CurveFitting::Functions::DeltaFunction::fwhm ( ) const
inlineoverridevirtual

Returns the peak FWHM.

Implements Mantid::API::IPeakFunction.

Definition at line 35 of file DeltaFunction.h.

◆ height()

double Mantid::CurveFitting::Functions::DeltaFunction::height ( ) const
inlineoverridevirtual

Returns the height of the function.

For a background function this may return an average height of the background. For a peak function this return value is the height of the peak

Implements Mantid::API::IFunctionWithLocation.

Definition at line 34 of file DeltaFunction.h.

◆ HeightPrefactor()

virtual double Mantid::CurveFitting::Functions::DeltaFunction::HeightPrefactor ( ) const
inlinevirtual

◆ name()

std::string Mantid::CurveFitting::Functions::DeltaFunction::name ( ) const
inlineoverridevirtual

◆ setCentre()

void Mantid::CurveFitting::Functions::DeltaFunction::setCentre ( const double  c)
inlineoverridevirtual

Sets the parameters such that centre == c.

Implements Mantid::API::IFunctionWithLocation.

Definition at line 36 of file DeltaFunction.h.

◆ setFwhm()

void Mantid::CurveFitting::Functions::DeltaFunction::setFwhm ( const double  w)
inlineoverridevirtual

Sets the parameters such that FWHM = w.

Implements Mantid::API::IPeakFunction.

Definition at line 38 of file DeltaFunction.h.

References UNUSED_ARG.

◆ setHeight()

void Mantid::CurveFitting::Functions::DeltaFunction::setHeight ( const double  h)
inlineoverridevirtual

Sets the parameters such that height == h.

Implements Mantid::API::IFunctionWithLocation.

Definition at line 37 of file DeltaFunction.h.


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