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Mantid
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Trust Region minimizer class using the DTRS method of GALAHAD. More...
#include <TrustRegionMinimizer.h>
Public Member Functions | |
| double | costFunctionVal () override |
| Return current value of the cost function. More... | |
| void | initialize (API::ICostFunction_sptr costFunction, size_t maxIterations=0) override |
| Initialize minimizer, i.e. pass a function to minimize. More... | |
| bool | iterate (size_t) override |
| Do one iteration. More... | |
| std::string | name () const override |
| Name of the minimizer. More... | |
| TrustRegionMinimizer () | |
| constructor and destructor More... | |
Public Member Functions inherited from Mantid::API::IFuncMinimizer | |
| virtual double | costFunctionVal ()=0 |
| Get value of cost function. More... | |
| virtual void | finalize () |
| Finalize minimization, eg store additional outputs. More... | |
| virtual std::string | getError () const |
| Get the error string. More... | |
| virtual void | initialize (API::ICostFunction_sptr function, size_t maxIterations=1000)=0 |
| Initialize minimizer. More... | |
| virtual bool | iterate (size_t iteration)=0 |
| Do one iteration. More... | |
| virtual bool | minimize (size_t maxIterations=1000) |
| Perform iteration with minimizer and return true if successful. More... | |
| virtual std::string | name () const =0 |
| Get name of minimizer. More... | |
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. More... | |
| std::string | asString (bool withDefaultValues=false) const override |
| Return the property manager serialized as a string. More... | |
| void | clear () override |
| Clears the whole property map. More... | |
| void | declareOrReplaceProperty (std::unique_ptr< Property > p, const std::string &doc="") override |
| Add or replace a property in the list of managed properties. More... | |
| 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). More... | |
| 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. More... | |
| 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). More... | |
| 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. More... | |
| 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. More... | |
| 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. More... | |
| void | declareProperty (std::unique_ptr< Property > p, const std::string &doc="") override |
| Add a property to the list of managed properties. More... | |
| virtual void | declareProperty (std::unique_ptr< Property > p, const std::string &doc="")=0 |
| Function to declare properties (i.e. store them) More... | |
| bool | existsProperty (const std::string &name) const override |
| Checks whether the named property is already in the list of managed property. More... | |
| void | filterByProperty (const TimeSeriesProperty< bool > &filter, const std::vector< std::string > &excludedFromFiltering=std::vector< std::string >()) override |
| Filter the managed properties by the given boolean property mask. More... | |
| void | filterByTime (const Types::Core::DateAndTime &start, const Types::Core::DateAndTime &stop) override |
| Filter out a run by time. More... | |
| std::vector< std::string > | getDeclaredPropertyNames () const noexcept override |
| Return the list of declared property names. More... | |
| Property * | getPointerToProperty (const std::string &name) const override |
| Get a property by name. More... | |
| const std::vector< Property * > & | getProperties () const override |
| Get the list of managed properties. More... | |
| TypedValue | getProperty (const std::string &name) const override |
| Get the value of a property. More... | |
| std::string | getPropertyValue (const std::string &name) const override |
| Get the value of a property as a string. More... | |
| bool | operator!= (const PropertyManager &other) const |
| PropertyManager & | operator+= (const PropertyManager &rhs) |
| Addition operator. More... | |
| PropertyManager & | operator= (const PropertyManager &) |
| Assignment operator - performs a deep copy. More... | |
| bool | operator== (const PropertyManager &other) const |
| size_t | propertyCount () const override |
| Count the number of properties under management. More... | |
| PropertyManager () | |
| Default constructor. More... | |
| PropertyManager (const PropertyManager &) | |
| copy constructor More... | |
| void | removeProperty (const std::string &name, const bool delproperty=true) override |
| removes the property from properties map More... | |
| void | resetProperties () override |
| Reset property values back to initial values (blank or default values) More... | |
| 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. More... | |
| 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. More... | |
| 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. More... | |
| 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. More... | |
| 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. More... | |
| void | setPropertyOrdinal (const int &index, const std::string &value) override |
| Set the value of a property by an index N.B. More... | |
| void | setPropertyValue (const std::string &name, const std::string &value) override |
| Set the value of a property by string N.B. More... | |
| void | setPropertyValueFromJson (const std::string &name, const Json::Value &value) override |
| Set the value of a property by Json::Value. More... | |
| void | splitByTime (std::vector< SplittingInterval > &splitter, std::vector< PropertyManager * > outputs) const override |
| Split a run by time (splits the TimeSeriesProperties contained). More... | |
| std::unique_ptr< Property > | takeProperty (const size_t index) override |
| removes the property from the properties map and returns a pointer to it More... | |
| bool | validateProperties () const override |
| Validates all the properties in the collection. More... | |
| virtual | ~PropertyManager () override |
| Virtual destructor. More... | |
Public Member Functions inherited from Mantid::Kernel::IPropertyManager | |
| virtual ::Json::Value | asJson (bool withDefaultValues=false) const =0 |
| Return the property manager serialized as a json object. More... | |
| virtual std::string | asString (bool withDefaultValues=false) const =0 |
| Return the property manager serialized as a string. More... | |
| virtual void | declareOrReplaceProperty (std::unique_ptr< Property > p, const std::string &doc="")=0 |
| Function to declare properties (i.e. store them) More... | |
| 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). More... | |
| 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. More... | |
| 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). More... | |
| 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. More... | |
| 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. More... | |
| 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. More... | |
| virtual void | declareProperty (std::unique_ptr< Property > p, const std::string &doc="")=0 |
| Function to declare properties (i.e. store them) More... | |
| virtual bool | existsProperty (const std::string &name) const =0 |
| Checks whether the named property is already in the list of managed property. More... | |
| virtual void | filterByProperty (const TimeSeriesProperty< bool > &, const std::vector< std::string > &)=0 |
| virtual void | filterByTime (const Types::Core::DateAndTime &, const Types::Core::DateAndTime &)=0 |
| virtual std::vector< std::string > | getDeclaredPropertyNames () const noexcept=0 |
| Get the list of managed property names. More... | |
| virtual Property * | getPointerToProperty (const std::string &name) const =0 |
| Get a pointer to property by name. More... | |
| virtual const std::vector< Property * > & | getProperties () const =0 |
| Get the list of managed properties. More... | |
| std::vector< Property * > | getPropertiesInGroup (const std::string &group) const |
| Get the list of managed properties in a given group. More... | |
| virtual TypedValue | getProperty (const std::string &name) const =0 |
| Get the value of a property. More... | |
| virtual std::string | getPropertyValue (const std::string &name) const =0 |
| Get the value of a property as a string. More... | |
| virtual size_t | propertyCount () const =0 |
| Returns the number of properties under management. More... | |
| virtual void | removeProperty (const std::string &name, const bool delproperty=true)=0 |
| Removes the property from management. More... | |
| virtual void | resetProperties ()=0 |
| virtual void | setProperties (const ::Json::Value &jsonValue, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false)=0 |
| Sets all the properties from a json object. More... | |
| virtual void | setProperties (const std::string &propertiesJson, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >(), bool createMissing=false)=0 |
| Sets all properties from a string. More... | |
| virtual void | setPropertiesWithString (const std::string &propertiesString, const std::unordered_set< std::string > &ignoreProperties=std::unordered_set< std::string >())=0 |
| Sets all the declared properties from a string. More... | |
| IPropertyManager * | setProperty (const std::string &name, const char *value) |
| Specialised version of setProperty template method to handle const char *. More... | |
| IPropertyManager * | setProperty (const std::string &name, const std::string &value) |
| Specialised version of setProperty template method to handle std::string. More... | |
| template<typename T > | |
| IPropertyManager * | setProperty (const std::string &name, const T &value) |
| Templated method to set the value of a PropertyWithValue. More... | |
| 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. More... | |
| void | setPropertyGroup (const std::string &name, const std::string &group) |
| Set the group for a given property. More... | |
| virtual void | setPropertyOrdinal (const int &index, const std::string &value)=0 |
| Set the value of a property by an index. More... | |
| void | setPropertySettings (const std::string &name, std::unique_ptr< IPropertySettings > settings) |
| virtual void | setPropertyValue (const std::string &name, const std::string &value)=0 |
| Sets property value from a string. More... | |
| virtual void | setPropertyValueFromJson (const std::string &name, const Json::Value &value)=0 |
| Sets property value from a Json::Value. More... | |
| virtual void | splitByTime (std::vector< SplittingInterval > &, std::vector< PropertyManager * >) const =0 |
| virtual std::unique_ptr< Property > | takeProperty (const size_t index)=0 |
| Removes the property from management and returns a pointer to it. More... | |
| void | updatePropertyValues (const IPropertyManager &other) |
| Update values of the existing properties. More... | |
| virtual bool | validateProperties () const =0 |
| Validates all the properties in the collection. More... | |
| virtual | ~IPropertyManager ()=default |
Private Member Functions | |
| void | calculateStep (const DoubleFortranMatrix &J, const DoubleFortranVector &f, const DoubleFortranMatrix &hf, double Delta, DoubleFortranVector &d, double &normd, const NLLS::nlls_options &options) |
| Find a correction vector to the parameters. More... | |
| void | evalF (const DoubleFortranVector &x, DoubleFortranVector &f) const |
| Evaluate the fitting function and calculate the residuals. More... | |
| void | evalHF (const DoubleFortranVector &x, const DoubleFortranVector &f, DoubleFortranMatrix &h) const |
| Evaluate the Hessian. More... | |
| void | evalJ (const DoubleFortranVector &x, DoubleFortranMatrix &J) const |
| Evaluate the Jacobian. More... | |
Private Attributes | |
| DoubleFortranMatrix | m_A |
| NLLS::all_eig_symm_work | m_all_eig_symm_ws |
| DoubleFortranVector | m_d_trans |
| DoubleFortranMatrix | m_ev |
| DoubleFortranVector | m_ew |
| API::IFunction_sptr | m_function |
| Stored to access IFunction interface in iterate() More... | |
| NLLS::nlls_inform | m_inform |
| Information about the fitting. More... | |
| JacobianImpl1< DoubleFortranMatrix > | m_J |
| The Jacobian. More... | |
| std::shared_ptr< CostFunctions::CostFuncLeastSquares > | m_leastSquares |
| Stored cost function. More... | |
| NLLS::nlls_options | m_options |
| Options. More... | |
| DoubleFortranVector | m_scale |
| DoubleFortranVector | m_v |
| DoubleFortranVector | m_v_trans |
| DoubleFortranVector | m_weights |
| Fitting data weights. More... | |
| NLLS::NLLS_workspace | m_workspace |
| Temporary and helper objects. More... | |
| DoubleFortranVector | m_x |
| Fitting parameters. More... | |
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. More... | |
| static std::string | getLogNameFromInvalidValuesFilter (const std::string &logName) |
| static bool | isAnInvalidValuesFilterLog (const std::string &logName) |
Static Public Attributes inherited from Mantid::Kernel::PropertyManager | |
| static const std::string | INVALID_VALUES_SUFFIX = "_invalid_values" |
Protected Member Functions inherited from Mantid::Kernel::PropertyManager | |
| Property * | getPointerToPropertyOrdinal (const int &index) const override |
| Get a property by an index. More... | |
| Property * | getPointerToPropertyOrNull (const std::string &name) const |
| Get a property by name. More... | |
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. More... | |
| virtual void | clear ()=0 |
| Clears all properties under management. More... | |
| virtual Property * | getPointerToPropertyOrdinal (const int &index) const =0 |
| Get a property by an index. More... | |
| template<typename T > | |
| T | getValue (const std::string &name) const |
| Templated method to get the value of a property. More... | |
| 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 |
Protected Attributes inherited from Mantid::API::IFuncMinimizer | |
| std::string | m_errorString |
| Error string. More... | |
Trust Region minimizer class using the DTRS method of GALAHAD.
Definition at line 24 of file TrustRegionMinimizer.h.
| Mantid::CurveFitting::FuncMinimisers::TrustRegionMinimizer::TrustRegionMinimizer | ( | ) |
constructor and destructor
Definition at line 31 of file TrustRegionMinimizer.cpp.
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Find a correction vector to the parameters.
Solve the trust-region subproblem using the DTRS method from Galahad.
This method needs H to be diagonal, so we need to pre-process
main output d, the soln to the TR subproblem
| J | :: The Jacobian. |
| f | :: The residuals. |
| hf | :: The Hessian (sort of). |
| Delta | :: The raduis of the trust region. |
| d | :: The output vector of corrections to the parameters giving the solution to the TR subproblem. |
| normd | :: The 2-norm of d. |
| options | :: The options. |
Definition at line 1271 of file TrustRegionMinimizer.cpp.
References Mantid::CurveFitting::NLLS::allEigSymm(), Mantid::CurveFitting::FortranVector< VectorClass >::allocate(), Mantid::Geometry::d, fabs, Mantid::CurveFitting::FortranVector< VectorClass >::len(), Mantid::CurveFitting::FortranMatrix< MatrixClass >::len2(), m_A, m_d_trans, m_ev, m_ew, m_scale, m_v, m_v_trans, Mantid::CurveFitting::NLLS::matmultInner(), Mantid::CurveFitting::NLLS::multJ(), Mantid::CurveFitting::NLLS::multJt(), n, Mantid::CurveFitting::NLLS::norm2(), and Mantid::CurveFitting::NLLS::nlls_options::scale.
Referenced by iterate().
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Return current value of the cost function.
Return the current value of the cost function.
Implements Mantid::API::IFuncMinimizer.
Definition at line 1353 of file TrustRegionMinimizer.cpp.
References m_leastSquares.
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Evaluate the fitting function and calculate the residuals.
| x | :: The fitting parameters as a fortran 1d array. |
| f | :: The output fortran vector with the weighted residuals. |
Definition at line 78 of file TrustRegionMinimizer.cpp.
References Mantid::CurveFitting::FortranVector< VectorClass >::allocate(), Mantid::CurveFitting::FortranVector< VectorClass >::len(), Mantid::Geometry::m, m_function, m_leastSquares, Mantid::CurveFitting::EigenVector::set(), and Mantid::Geometry::x.
Referenced by iterate().
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Evaluate the Hessian.
| x | :: The fitting parameters as a fortran 1d array. |
| f | :: The fortran vector with the weighted residuals. |
| h | :: The fortran matrix with the Hessian. |
Definition at line 122 of file TrustRegionMinimizer.cpp.
References Mantid::CurveFitting::FortranMatrix< MatrixClass >::allocate(), Mantid::CurveFitting::FortranMatrix< MatrixClass >::len1(), Mantid::CurveFitting::FortranMatrix< MatrixClass >::len2(), m_leastSquares, n, UNUSED_ARG, Mantid::Geometry::x, and Mantid::CurveFitting::EigenMatrix::zero().
Referenced by iterate().
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Evaluate the Jacobian.
| x | :: The fitting parameters as a fortran 1d array. |
| J | :: The output fortran matrix with the weighted Jacobian. |
Definition at line 96 of file TrustRegionMinimizer.cpp.
References Mantid::CurveFitting::FortranMatrix< MatrixClass >::allocate(), Mantid::CurveFitting::FortranMatrix< MatrixClass >::len1(), Mantid::CurveFitting::FortranMatrix< MatrixClass >::len2(), Mantid::Geometry::m, m_function, m_J, m_leastSquares, n, and Mantid::Geometry::x.
Referenced by iterate().
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Initialize minimizer, i.e. pass a function to minimize.
Initialise the minimizer.
| costFunction | :: The cost function to minimize. Must be the least squares. |
| maxIterations | :: Maximum number of iterations that the minimiser will do. |
Implements Mantid::API::IFuncMinimizer.
Definition at line 45 of file TrustRegionMinimizer.cpp.
References Mantid::CurveFitting::FortranVector< VectorClass >::allocate(), Mantid::Kernel::PropertyManager::getProperty(), Mantid::CurveFitting::NLLS::nlls_options::initial_radius, Mantid::CurveFitting::NLLS::NLLS_workspace::initialize(), Mantid::Geometry::m, m_function, m_J, m_leastSquares, m_options, m_workspace, m_x, Mantid::CurveFitting::NLLS::nlls_options::maxit, and n.
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Do one iteration.
Perform a single iteration.
Implements Mantid::API::IFuncMinimizer.
Definition at line 137 of file TrustRegionMinimizer.cpp.
References calculateStep(), evalF(), evalHF(), evalJ(), Mantid::CurveFitting::NLLS::getSvdJ(), Mantid::CurveFitting::FortranVector< VectorClass >::len(), Mantid::Geometry::m, Mantid::API::IFuncMinimizer::m_errorString, m_inform, m_leastSquares, m_options, m_workspace, m_x, Mantid::CurveFitting::NLLS::multJt(), n, Mantid::CurveFitting::NLLS::norm2(), rho, and Mantid::Geometry::X.
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Name of the minimizer.
Implements Mantid::API::IFuncMinimizer.
Definition at line 37 of file TrustRegionMinimizer.cpp.
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Definition at line 66 of file TrustRegionMinimizer.h.
Referenced by calculateStep().
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Definition at line 68 of file TrustRegionMinimizer.h.
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Definition at line 67 of file TrustRegionMinimizer.h.
Referenced by calculateStep().
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Definition at line 66 of file TrustRegionMinimizer.h.
Referenced by calculateStep().
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Definition at line 67 of file TrustRegionMinimizer.h.
Referenced by calculateStep().
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Stored to access IFunction interface in iterate()
Definition at line 51 of file TrustRegionMinimizer.h.
Referenced by evalF(), evalJ(), and initialize().
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Information about the fitting.
Definition at line 61 of file TrustRegionMinimizer.h.
Referenced by iterate().
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The Jacobian.
Definition at line 57 of file TrustRegionMinimizer.h.
Referenced by evalJ(), and initialize().
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Stored cost function.
Definition at line 49 of file TrustRegionMinimizer.h.
Referenced by costFunctionVal(), evalF(), evalHF(), evalJ(), initialize(), and iterate().
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Options.
Definition at line 59 of file TrustRegionMinimizer.h.
Referenced by initialize(), and iterate().
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Definition at line 69 of file TrustRegionMinimizer.h.
Referenced by calculateStep().
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Definition at line 67 of file TrustRegionMinimizer.h.
Referenced by calculateStep().
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Definition at line 67 of file TrustRegionMinimizer.h.
Referenced by calculateStep().
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Fitting data weights.
Definition at line 53 of file TrustRegionMinimizer.h.
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Temporary and helper objects.
Definition at line 63 of file TrustRegionMinimizer.h.
Referenced by initialize(), and iterate().
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Fitting parameters.
Definition at line 55 of file TrustRegionMinimizer.h.
Referenced by initialize(), and iterate().