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Public Member Functions | Private Member Functions | Private Attributes | Static Private Attributes | List of all members
Mantid::CurveFitting::Functions::TabulatedFunction Class Reference

A function which takes its values from a file or a workspace. More...

#include <TabulatedFunction.h>

Inheritance diagram for Mantid::CurveFitting::Functions::TabulatedFunction:
Mantid::API::ParamFunction Mantid::API::IFunction1D Mantid::API::IFunction Mantid::API::IFunction

Public Member Functions

const std::string category () const override
 The categories the Fit function belong to. More...
 
void function1D (double *out, const double *xValues, const size_t nData) const override
 Calculate the function values. More...
 
void functionDeriv1D (API::Jacobian *out, const double *xValues, const size_t nData) override
 function derivatives More...
 
Attribute getAttribute (const std::string &attName) const override
 Return a value of attribute attName. More...
 
std::vector< std::string > getAttributeNames () const override
 Returns a list of attribute names. More...
 
std::string name () const override
 overwrite IFunction base class methods More...
 
size_t nAttributes () const override
 Returns the number of attributes associated with the function. More...
 
void setAttribute (const std::string &attName, const IFunction::Attribute &value) override
 Set a value to attribute attName. More...
 
 TabulatedFunction ()
 Constructor. 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 std::string attributeName (size_t index) const
 Get name of ith attribute. 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...
 

Private Member Functions

void clear () const
 Clear all data. More...
 
void eval (double scaling, double xshift, double xscale, double *out, const double *xValues, const size_t nData) const
 Evaluate the function for a list of arguments and given scaling factor. More...
 
void load (const std::string &fname)
 Call the appropriate load function. More...
 
void loadWorkspace (const std::string &wsName) const
 Load the points from a MatrixWorkspace. More...
 
void loadWorkspace (std::shared_ptr< API::MatrixWorkspace > ws) const
 Load the points from a MatrixWorkspace. More...
 
void setupData () const
 Fill in the x and y value containers (m_xData and m_yData) More...
 
size_t size () const
 Size of the data. More...
 

Private Attributes

bool m_explicitXY
 Flag of explicit x-y data setup. More...
 
bool m_setupFinished
 Flag of completing data setup. More...
 
std::shared_ptr< API::MatrixWorkspacem_workspace
 Temporary workspace holder. More...
 
std::vector< double > m_xData
 Stores x-values. More...
 
std::vector< double > m_yData
 Stores y-values. More...
 

Static Private Attributes

static const int defaultIndexValue = 0
 The default value for the workspace index. 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 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...
 
- 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

A function which takes its values from a file or a workspace.

The values atr tabulated as x,y pairs. Liear interpolation is used for points between the tabulated values. The function returns zero for points outside the tabulated values.

The function has two attributes: FileName and Workspace. They define a data set to take the values from. Setting one of the attributes clears the other.

The files can be either ascii text files or nexus files. The ascii files must contain two column of real numbers separated by spaces. The first column are the x-values and the second one is for y.

If a nexus file is used its first spectrum provides the data for the function. The same is true for a workspace which must be a MatrixWorkspace.

The function has two parameters - a scaling factor "Scaling" and a shift factor along the abscissas 'Shift'

Author
Roman Tolchenov, Tessella plc
Date
4/09/2012

Definition at line 56 of file TabulatedFunction.h.

Constructor & Destructor Documentation

◆ TabulatedFunction()

Mantid::CurveFitting::Functions::TabulatedFunction::TabulatedFunction ( )

Member Function Documentation

◆ category()

const std::string Mantid::CurveFitting::Functions::TabulatedFunction::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.

Definition at line 63 of file TabulatedFunction.h.

◆ clear()

void Mantid::CurveFitting::Functions::TabulatedFunction::clear ( ) const
private

Clear all data.

Definition at line 155 of file TabulatedFunction.cpp.

References m_setupFinished, m_xData, and m_yData.

◆ eval()

void Mantid::CurveFitting::Functions::TabulatedFunction::eval ( double  scaling,
double  xshift,
double  xscale,
double *  out,
const double *  xValues,
const size_t  nData 
) const
private

Evaluate the function for a list of arguments and given scaling factor.

Definition at line 53 of file TabulatedFunction.cpp.

References m_xData, m_yData, setupData(), size(), and value.

Referenced by function1D(), and functionDeriv1D().

◆ function1D()

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

Calculate the function values.

Parameters
out:: The output buffer for the calculated values.
xValues:: The array of x-values.
nData:: The size of the data.

Implements Mantid::API::IFunction1D.

Definition at line 110 of file TabulatedFunction.cpp.

References eval(), and Mantid::API::ParamFunction::getParameter().

Referenced by Mantid::CurveFitting::Functions::Resolution::function1D().

◆ functionDeriv1D()

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

function derivatives

Parameters
out:: The output Jacobian matrix: function derivatives over its parameters.
xValues:: The function arguments
nData:: The size of xValues.

Reimplemented from Mantid::API::IFunction1D.

Definition at line 124 of file TabulatedFunction.cpp.

References eval(), Mantid::API::ParamFunction::getParameter(), Mantid::API::Jacobian::set(), and tmp.

◆ getAttribute()

IFunction::Attribute Mantid::CurveFitting::Functions::TabulatedFunction::getAttribute ( const std::string &  attName) const
overridevirtual

Return a value of attribute attName.

Parameters
attName:: The attribute name

Reimplemented from Mantid::API::IFunction.

Definition at line 241 of file TabulatedFunction.cpp.

References Mantid::API::IFunction::getAttribute(), m_explicitXY, m_xData, and m_yData.

Referenced by Mantid::CurveFitting::Functions::Resolution::getAttribute(), and setupData().

◆ getAttributeNames()

std::vector< std::string > Mantid::CurveFitting::Functions::TabulatedFunction::getAttributeNames ( ) const
overridevirtual

Returns a list of attribute names.

Reimplemented from Mantid::API::IFunction.

Definition at line 237 of file TabulatedFunction.cpp.

References Mantid::API::IFunction::getAttributeNames().

Referenced by Mantid::CurveFitting::Functions::Resolution::getAttributeNames().

◆ load()

void Mantid::CurveFitting::Functions::TabulatedFunction::load ( const std::string &  fname)
private

Call the appropriate load function.

Load input file as a Nexus file.

Parameters
fname:: The file name

Definition at line 253 of file TabulatedFunction.cpp.

References Mantid::Kernel::SingletonHolder< T >::Instance(), and loadWorkspace().

Referenced by setAttribute().

◆ loadWorkspace() [1/2]

void Mantid::CurveFitting::Functions::TabulatedFunction::loadWorkspace ( const std::string &  wsName) const
private

Load the points from a MatrixWorkspace.

Parameters
wsName:: The workspace to load from

Definition at line 275 of file TabulatedFunction.cpp.

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

Referenced by load(), loadWorkspace(), setAttribute(), and setupData().

◆ loadWorkspace() [2/2]

void Mantid::CurveFitting::Functions::TabulatedFunction::loadWorkspace ( std::shared_ptr< API::MatrixWorkspace ws) const
private

Load the points from a MatrixWorkspace.

Parameters
ws:: The workspace to load from

Definition at line 287 of file TabulatedFunction.cpp.

References m_setupFinished, and m_workspace.

◆ name()

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

overwrite IFunction base class methods

Implements Mantid::API::IFunction.

Definition at line 62 of file TabulatedFunction.h.

Referenced by setupData().

◆ nAttributes()

size_t Mantid::CurveFitting::Functions::TabulatedFunction::nAttributes ( ) const
overridevirtual

Returns the number of attributes associated with the function.

Reimplemented from Mantid::API::IFunction.

Definition at line 234 of file TabulatedFunction.cpp.

References Mantid::API::IFunction::nAttributes().

Referenced by Mantid::CurveFitting::Functions::Resolution::nAttributes().

◆ setAttribute()

void Mantid::CurveFitting::Functions::TabulatedFunction::setAttribute ( const std::string &  attName,
const IFunction::Attribute value 
)
overridevirtual

Set a value to attribute attName.

Parameters
attName:: The attribute name
value:: The new value

Reimplemented from Mantid::API::IFunction.

Definition at line 165 of file TabulatedFunction.cpp.

References error, load(), loadWorkspace(), m_explicitXY, m_setupFinished, m_xData, m_yData, Mantid::API::IFunction::setAttribute(), Mantid::API::IFunction::storeAttributeValue(), and value.

Referenced by Mantid::CurveFitting::Functions::Resolution::setAttribute().

◆ setupData()

void Mantid::CurveFitting::Functions::TabulatedFunction::setupData ( ) const
private

◆ size()

size_t Mantid::CurveFitting::Functions::TabulatedFunction::size ( ) const
inlineprivate

Size of the data.

Definition at line 88 of file TabulatedFunction.h.

Referenced by eval().

Member Data Documentation

◆ defaultIndexValue

const int Mantid::CurveFitting::Functions::TabulatedFunction::defaultIndexValue = 0
staticprivate

The default value for the workspace index.

Definition at line 100 of file TabulatedFunction.h.

Referenced by TabulatedFunction().

◆ m_explicitXY

bool Mantid::CurveFitting::Functions::TabulatedFunction::m_explicitXY
mutableprivate

Flag of explicit x-y data setup.

Definition at line 115 of file TabulatedFunction.h.

Referenced by getAttribute(), and setAttribute().

◆ m_setupFinished

bool Mantid::CurveFitting::Functions::TabulatedFunction::m_setupFinished
mutableprivate

Flag of completing data setup.

Definition at line 112 of file TabulatedFunction.h.

Referenced by clear(), loadWorkspace(), setAttribute(), and setupData().

◆ m_workspace

std::shared_ptr<API::MatrixWorkspace> Mantid::CurveFitting::Functions::TabulatedFunction::m_workspace
mutableprivate

Temporary workspace holder.

Definition at line 103 of file TabulatedFunction.h.

Referenced by loadWorkspace(), and setupData().

◆ m_xData

std::vector<double> Mantid::CurveFitting::Functions::TabulatedFunction::m_xData
mutableprivate

Stores x-values.

Definition at line 106 of file TabulatedFunction.h.

Referenced by clear(), eval(), getAttribute(), setAttribute(), and setupData().

◆ m_yData

std::vector<double> Mantid::CurveFitting::Functions::TabulatedFunction::m_yData
mutableprivate

Stores y-values.

Definition at line 109 of file TabulatedFunction.h.

Referenced by clear(), eval(), getAttribute(), setAttribute(), and setupData().


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