Implementing Simplex by wrapping the IFuncMinimizer interface around the GSL implementation of this algorithm. More...

#include <SimplexMinimizer.h>

Inheritance diagram for Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer:

Public Member Functions
double	costFunctionVal () override
	Return current value of the cost function.

void	initialize (API::ICostFunction_sptr function, size_t maxIterations=0) override
	Initialize minimizer, i.e. pass a function to minimize.

bool	iterate (size_t) override
	Do one iteration.

std::string	name () const override
	Overloading base class methods.

	SimplexMinimizer (const double epsabs=1e-2)
	Constructor setting a value for the relative error acceptance (default=0.01)

	~SimplexMinimizer () override
	Destructor.

Public Member Functions inherited from Mantid::API::IFuncMinimizer
virtual void	finalize ()
	Finalize minimization, eg store additional outputs.

virtual std::string	getError () const
	Get the error string.

virtual bool	minimize (size_t maxIterations=1000)
	Perform iteration with minimizer and return true if successful.

Public Member Functions inherited from Mantid::Kernel::PropertyManager
::Json::Value	asJson (bool withDefaultValues=false) const override
	Return the property manager serialized as a json object.

std::string	asString (bool withDefaultValues=false) const override
	Return the property manager serialized as a string.

void	clear () override final
	Clears the whole property map.

PropertyManager *	cloneInTimeROI (const Kernel::TimeROI &timeROI)
	Create a partial copy of this object such that every time series property is cloned according to the input TimeROI.

void	declareOrReplaceProperty (std::unique_ptr< Property > p, const std::string &doc="") override
	Add or replace a property in the list of managed properties.

void	declareProperty (const std::string &name, const char *value, const std::string &doc, IValidator_sptr validator=std::make_shared< NullValidator >(), const unsigned int direction=Direction::Input)
	Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string).

void	declareProperty (const std::string &name, const char *value, const unsigned int direction)
	Add a property of string type to the list of managed properties.

void	declareProperty (const std::string &name, const char *value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc=std::string(), const unsigned int direction=Direction::Input)
	Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string).

template<typename T >
void	declareProperty (const std::string &name, T value, const std::string &doc, const unsigned int direction=Direction::Input)
	Add a property to the list of managed properties with no validator.

template<typename T >
void	declareProperty (const std::string &name, T value, const unsigned int direction)
	Add a property of the template type to the list of managed properties.

template<typename T >
void	declareProperty (const std::string &name, T value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc="", const unsigned int direction=Direction::Input)
	Add a property of the template type to the list of managed properties.

void	declareProperty (std::unique_ptr< Property > p, const std::string &doc="") override
	Add a property to the list of managed properties.

virtual void	declareProperty (std::unique_ptr< Property > p, const std::string &doc="")=0
	Function to declare properties (i.e. store them)

bool	existsProperty (const std::string &name) const override
	Checks whether the named property is already in the list of managed property.

void	filterByProperty (Mantid::Kernel::LogFilter *logFilter, const std::vector< std::string > &excludedFromFiltering=std::vector< std::string >()) override
	Filter the managed properties by the given boolean property mask.

std::vector< std::string >	getDeclaredPropertyNames () const noexcept override
	Return the list of declared property names.

Property *	getPointerToProperty (const std::string &name) const override
	Get a property by name.

const std::vector< Property * > &	getProperties () const override
	Get the list of managed properties.

TypedValue	getProperty (const std::string &name) const override
	Get the value of a property.

std::string	getPropertyValue (const std::string &name) const override
	Get the value of a property as a string.

bool	operator!= (const PropertyManager &other) const

PropertyManager &	operator+= (const PropertyManager &rhs)
	Addition operator.

PropertyManager &	operator= (const PropertyManager &)
	Assignment operator - performs a deep copy.

bool	operator== (const PropertyManager &other) const

size_t	propertyCount () const override
	Count the number of properties under management.

	PropertyManager ()
	Default constructor.

	PropertyManager (const PropertyManager &)
	copy constructor

void	removeDataOutsideTimeROI (const Kernel::TimeROI &timeROI)
	For time series properties, remove time values outside of TimeROI regions, each defined as [roi_begin,roi_end].

void	removeProperty (const std::string &name, const bool delproperty=true) override
	removes the property from properties map

void	resetProperties () override
	Reset property values back to initial values (blank or default values)

void	setProperties (const ::Json::Value &jsonValue, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false) override
	Set the ordered list of properties by a json value collection.

void	setProperties (const ::Json::Value &jsonValue, IPropertyManager *targetPropertyManager, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false)
	Set the ordered list of properties by a json value collection.

void	setProperties (const std::string &propertiesJson, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false) override
	Set the ordered list of properties by one string of values, separated by semicolons.

void	setProperties (const std::string &propertiesJson, IPropertyManager *targetPropertyManager, const std::unordered_set< std::string > &ignoreProperties, bool createMissing=false)
	Set the ordered list of properties by one string of values, separated by semicolons.

void	setPropertiesWithString (const std::string &propertiesString, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >()) override
	Sets all the declared properties from a string.

void	setPropertyOrdinal (const int &index, const std::string &value) override
	Set the value of a property by an index N.B.

void	setPropertyValue (const std::string &name, const std::string &value) override
	Set the value of a property by string N.B.

void	setPropertyValueFromJson (const std::string &name, const Json::Value &value) override
	Set the value of a property by Json::Value.

std::unique_ptr< Property >	takeProperty (const size_t index) override
	removes the property from the properties map and returns a pointer to it

bool	validateProperties () const override
	Validates all the properties in the collection.

virtual	~PropertyManager () override
	Virtual destructor.

Public Member Functions inherited from Mantid::Kernel::IPropertyManager
void	declareProperty (const std::string &name, const char *value, const std::string &doc, IValidator_sptr validator=std::make_shared< NullValidator >(), const unsigned int direction=Direction::Input)
	Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string).

void	declareProperty (const std::string &name, const char *value, const unsigned int direction)
	Add a property of string type to the list of managed properties.

void	declareProperty (const std::string &name, const char *value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc=std::string(), const unsigned int direction=Direction::Input)
	Specialised version of declareProperty template method to prevent the creation of a PropertyWithValue of type const char* if an argument in quotes is passed (it will be converted to a string).

template<typename T >
void	declareProperty (const std::string &name, T value, const std::string &doc, const unsigned int direction=Direction::Input)
	Add a property to the list of managed properties with no validator.

template<typename T >
void	declareProperty (const std::string &name, T value, const unsigned int direction)
	Add a property of the template type to the list of managed properties.

template<typename T >
void	declareProperty (const std::string &name, T value, IValidator_sptr validator=std::make_shared< NullValidator >(), const std::string &doc="", const unsigned int direction=Direction::Input)
	Add a property of the template type to the list of managed properties.

std::vector< Property * >	getPropertiesInGroup (const std::string &group) const
	Get the list of managed properties in a given group.

IPropertyManager *	setProperty (const std::string &name, const char *value)
	Specialised version of setProperty template method to handle const char *.

IPropertyManager *	setProperty (const std::string &name, const std::string &value)
	Specialised version of setProperty template method to handle std::string.

template<typename T >
IPropertyManager *	setProperty (const std::string &name, const T &value)
	Templated method to set the value of a PropertyWithValue.

template<typename T >
IPropertyManager *	setProperty (const std::string &name, std::unique_ptr< T > value)
	Templated method to set the value of a PropertyWithValue from a std::unique_ptr.

void	setPropertyGroup (const std::string &name, const std::string &group)
	Set the group for a given property.

void	setPropertySettings (const std::string &name, std::unique_ptr< IPropertySettings > settings)

void	updatePropertyValues (const IPropertyManager &other)
	Update values of the existing properties.

virtual	~IPropertyManager ()=default

Protected Member Functions
void	resetSize (const double &size)
	resets the size

Protected Member Functions inherited from Mantid::Kernel::PropertyManager
Property *	getPointerToPropertyOrdinal (const int &index) const override
	Get a property by an index.

Property *	getPointerToPropertyOrNull (const std::string &name) const
	Get a property by name.

Protected Member Functions inherited from Mantid::Kernel::IPropertyManager
virtual void	afterPropertySet (const std::string &)
	Override this method to perform a custom action right after a property was set.

template<typename T >
T	getValue (const std::string &name) const
	Templated method to get the value of a property.

template<>
MANTID_KERNEL_DLL PropertyManager_sptr	getValue (const std::string &name) const

template<>
MANTID_KERNEL_DLL PropertyManager_const_sptr	getValue (const std::string &name) const

Private Member Functions
void	clearMemory ()
	clear memory

Static Private Member Functions
static double	fun (const gsl_vector x, void params)
	Used by the GSL to evaluate the function.

Private Attributes
gsl_multimin_function	gslContainer
	GSL simplex minimizer container.

API::ICostFunction_sptr	m_costFunction
	Function to minimize.

double	m_epsabs
	Absolute value of the error that is considered a fit.

gsl_multimin_fminimizer *	m_gslSolver
	pointer to the GSL solver doing the work

gsl_vector *	m_simplexStepSize
	used by GSL

double	m_size
	size of simplex

gsl_vector *	m_startGuess
	Starting parameter values.

Additional Inherited Members
Static Public Member Functions inherited from Mantid::Kernel::PropertyManager
static std::string	getInvalidValuesFilterLogName (const std::string &logName)
	Gets the correct log name for the matching invalid values log for a given log name.

static std::string	getLogNameFromInvalidValuesFilter (const std::string &logName)

static bool	isAnInvalidValuesFilterLog (const std::string &logName)
	Determine if the log's name has a substring indicating it should not be filtered.

Static Public Attributes inherited from Mantid::Kernel::PropertyManager
static const std::string	INVALID_VALUES_SUFFIX = "_invalid_values"

Protected Attributes inherited from Mantid::API::IFuncMinimizer
std::string	m_errorString
	Error string.

Detailed Description

Implementing Simplex by wrapping the IFuncMinimizer interface around the GSL implementation of this algorithm.

Author: Anders Markvardsen, ISIS, RAL

Date: 8/1/2010

Definition at line 26 of file SimplexMinimizer.h.

Constructor & Destructor Documentation

◆ SimplexMinimizer()

Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::SimplexMinimizer ( const double epsabs = 1e-2 )

Constructor setting a value for the relative error acceptance (default=0.01)

Definition at line 47 of file SimplexMinimizer.cpp.

References gslContainer.

◆ ~SimplexMinimizer()

Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::~SimplexMinimizer ( )

override

Destructor.

Definition at line 107 of file SimplexMinimizer.cpp.

References clearMemory().

Member Function Documentation

◆ clearMemory()

void Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::clearMemory ( )

private

clear memory

Definition at line 110 of file SimplexMinimizer.cpp.

References m_gslSolver, m_simplexStepSize, and m_startGuess.

Referenced by resetSize(), and ~SimplexMinimizer().

◆ costFunctionVal()

double Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::costFunctionVal ( )

overridevirtual

Return current value of the cost function.

Implements Mantid::API::IFuncMinimizer.

Definition at line 122 of file SimplexMinimizer.cpp.

References m_gslSolver.

◆ fun()

double Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::fun	(	const gsl_vector *	x,
		void *	params
	)

staticprivate

Used by the GSL to evaluate the function.

Calculating cost function.

Parameters

x	:: Input function arguments
params	:: Pointer to a SimplexMinimizer

Returns: Value of the cost function

Definition at line 31 of file SimplexMinimizer.cpp.

References m_costFunction, and Mantid::Geometry::x.

Referenced by initialize().

◆ initialize()

void Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::initialize	(	API::ICostFunction_sptr	function,
		size_t	maxIterations = `0`
	)

overridevirtual

Initialize minimizer, i.e. pass a function to minimize.

Implements Mantid::API::IFuncMinimizer.

Definition at line 55 of file SimplexMinimizer.cpp.

References fun(), gslContainer, m_costFunction, m_gslSolver, m_simplexStepSize, m_size, and m_startGuess.

Referenced by resetSize().

◆ iterate()

bool Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::iterate ( size_t )

overridevirtual

Do one iteration.

Returns: :: true if iterations to be continued, false if they can stop

Implements Mantid::API::IFuncMinimizer.

Definition at line 85 of file SimplexMinimizer.cpp.

References m_epsabs, Mantid::API::IFuncMinimizer::m_errorString, and m_gslSolver.

◆ name()

std::string Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::name ( ) const

inlineoverridevirtual

Overloading base class methods.

Implements Mantid::API::IFuncMinimizer.

Definition at line 35 of file SimplexMinimizer.h.

◆ resetSize()

void Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::resetSize ( const double & size )

protected

resets the size

Definition at line 101 of file SimplexMinimizer.cpp.

References clearMemory(), initialize(), m_costFunction, and m_size.

Member Data Documentation

◆ gslContainer

gsl_multimin_function Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::gslContainer

private

GSL simplex minimizer container.

Definition at line 72 of file SimplexMinimizer.h.

Referenced by initialize(), and SimplexMinimizer().

◆ m_costFunction

API::ICostFunction_sptr Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::m_costFunction

private

Function to minimize.

Definition at line 57 of file SimplexMinimizer.h.

Referenced by fun(), initialize(), and resetSize().

◆ m_epsabs

double Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::m_epsabs

private

Absolute value of the error that is considered a fit.

Definition at line 54 of file SimplexMinimizer.h.

Referenced by iterate().

◆ m_gslSolver

gsl_multimin_fminimizer* Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::m_gslSolver

private

pointer to the GSL solver doing the work

Definition at line 69 of file SimplexMinimizer.h.

Referenced by clearMemory(), costFunctionVal(), initialize(), and iterate().

◆ m_simplexStepSize

gsl_vector* Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::m_simplexStepSize

private

used by GSL

Definition at line 63 of file SimplexMinimizer.h.

Referenced by clearMemory(), and initialize().

◆ m_size

double Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::m_size

private

size of simplex

Definition at line 60 of file SimplexMinimizer.h.

Referenced by initialize(), and resetSize().

◆ m_startGuess

gsl_vector* Mantid::CurveFitting::FuncMinimisers::SimplexMinimizer::m_startGuess

private

Starting parameter values.

Definition at line 66 of file SimplexMinimizer.h.

Referenced by clearMemory(), and initialize().

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

Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/SimplexMinimizer.h
Framework/CurveFitting/src/FuncMinimizers/SimplexMinimizer.cpp

Public Member Functions

Protected Member Functions

Private Member Functions

Static Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ SimplexMinimizer()

◆ ~SimplexMinimizer()

Member Function Documentation

◆ clearMemory()

◆ costFunctionVal()

◆ fun()

◆ initialize()

◆ iterate()

◆ name()

◆ resetSize()

Member Data Documentation

◆ gslContainer

◆ m_costFunction

◆ m_epsabs

◆ m_gslSolver

◆ m_simplexStepSize

◆ m_size

◆ m_startGuess