mat::MatrixBase< Treal, Tmatrix > Class Template Reference

Base class for matrix API. More...

#include <MatrixBase.h>

Inheritance diagram for mat::MatrixBase< Treal, Tmatrix >:

Public Member Functions
void	resetSizesAndBlocks (SizesAndBlocks const &newRows, SizesAndBlocks const &newCols)
void	getRows (SizesAndBlocks &rowsCopy) const
void	getCols (SizesAndBlocks &colsCopy) const
bool	is_empty () const
	Check if matrix is empty. More...
Treal	trace () const
void	add_identity (Treal alpha)
MatrixBase< Treal, Tmatrix > &	operator*= (Treal const alpha)
bool	operator== (int k) const
void	clear ()
	Release memory for the information written to file. More...
size_t	memory_usage () const
void	write_to_buffer_count (int &n_bytes) const
int	get_nrows () const
int	get_ncols () const
Tmatrix const &	getMatrix () const
Tmatrix &	getMatrix ()
Treal	maxAbsValue () const
	Get largest absolute value of matrix element in the matrix. More...
Public Member Functions inherited from mat::FileWritable
void	writeToFile ()
	Write object to file if filewrite is active. More...
void	readFromFile ()
	Read object from file if filewrite is active. More...
void	copyToFile (const char *destFileName)
void	copyFromFile (const char *sourceFileName)
bool	isOnFile ()
	Check if object is on file. More...
long int	fileSize ()
	Return file size. More...

Protected Member Functions
	MatrixBase ()
	MatrixBase (const MatrixBase< Treal, Tmatrix > &other)
MatrixBase< Treal, Tmatrix > &	operator= (const MatrixBase< Treal, Tmatrix > &other)
MatrixBase< Treal, Tmatrix > &	operator= (const Xtrans< MatrixGeneral< Treal, Tmatrix > > &mt)
void	write_to_buffer_base (void *buffer, const int n_bytes, const matrix_type mattype) const
void	read_from_buffer_base (void *buffer, const int n_bytes, const matrix_type mattype)
void	writeToFileBase (std::ofstream &file, matrix_type const mattype) const
void	readFromFileBase (std::ifstream &file, matrix_type const mattype)
std::string	obj_type_id () const
void	inMemorySet (bool inMem)
	Make object invalid (false) via this function when object is written to file and valid (true) when object is read from file. More...
Protected Member Functions inherited from mat::FileWritable
virtual void	writeToFileProt (std::ofstream &) const =0
	Write object to file. More...
virtual void	readFromFileProt (std::ifstream &)=0
	Read object from file. More...
	FileWritable ()
	Gives each object a unique ID-number and filename. More...
virtual	~FileWritable ()
	Removes file, if any. More...
	FileWritable (FileWritable const &)
FileWritable &	operator= (FileWritable const &)

Static Protected Member Functions
static void	getPermutedIndexes (std::vector< int > const &index, std::vector< int > const &permutation, std::vector< int > &newIndex)
Static Protected Member Functions inherited from mat::FileWritable
static std::string	getStatsTime (TypeTimeMap &theMap)
static std::string	getStatsCount (TypeCountMap &theMap)
static std::string	getStatsFileSizes (ObjPtrSet const &set)

Protected Attributes
ValidPtr< Tmatrix >	matrixPtr

Friends
class	MatrixGeneral< Treal, Tmatrix >
class	MatrixSymmetric< Treal, Tmatrix >
class	MatrixTriangular< Treal, Tmatrix >

Additional Inherited Members
Static Public Member Functions inherited from mat::FileWritable
static void	setPath (char const *const newPath)
	Set the path to which the objects will be written. More...
static void	activate ()
	Activate the filewriting. More...
static std::string	getStatsFileSizes ()
static std::string	writeAndReadAll ()
static void	resetStats ()
static std::string	getStatsTimeWrite ()
static std::string	getStatsTimeRead ()
static std::string	getStatsTimeCopyAndAssign ()
static std::string	getStatsCountWrite ()
static std::string	getStatsCountRead ()
static std::string	getStatsCountCopyAndAssign ()
Protected Types inherited from mat::FileWritable
typedef std::map< std::string, double >	TypeTimeMap
typedef std::map< std::string, int >	TypeCountMap
typedef std::set< FileWritable * >	ObjPtrSet

Detailed Description

template<typename Treal, typename Tmatrix>
class mat::MatrixBase< Treal, Tmatrix >

Base class for matrix API.

This class provides a base for an API to a matrix library built up from three types which are also the template arguments to this class.

Treal: Type for real numbers

Tmatrix: The matrix class

Constructor & Destructor Documentation

template<typename Treal, typename Tmatrix>

mat::MatrixBase< Treal, Tmatrix >::MatrixBase ( )

inlineprotected

template<typename Treal, typename Tmatrix>

mat::MatrixBase< Treal, Tmatrix >::MatrixBase ( const MatrixBase< Treal, Tmatrix > &  other )

inlineprotected

References mat::ValidPtr< Tobj >::getConstRefForCopying(), mat::ValidPtr< Tobj >::haveDataStructureGet(), mat::ValidPtr< Tobj >::haveDataStructureSet(), mat::ValidPtr< Tobj >::inMemoryGet(), mat::ValidPtr< Tobj >::inMemorySet(), and mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

Member Function Documentation

template<typename Treal, typename Tmatrix>

void mat::MatrixBase< Treal, Tmatrix >::add_identity ( Treal  alpha )

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

Referenced by mainFun().

template<typename Treal, typename Tmatrix>

void mat::MatrixBase< Treal, Tmatrix >::clear ( )

inlinevirtual

Release memory for the information written to file.

Implements mat::FileWritable.

References mat::MatrixBase< Treal, Tmatrix >::is_empty(), and mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

Referenced by SCF_unrestricted::clear_error_matrices(), SCF_restricted::clear_error_matrices(), and mat::MatrixSymmetric< Treal, Tmatrix >::transfer().

template<typename Treal, typename Tmatrix>

int mat::MatrixBase< Treal, Tmatrix >::get_ncols ( ) const

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

Referenced by mat::MatrixGeneral< Treal, Tmatrix >::assignFromFull(), mat::MatrixSymmetric< Treal, Tmatrix >::assignFromFull(), mat::MatrixGeneral< Treal, Tmatrix >::fullMatrix(), and mat::MatrixSymmetric< Treal, Tmatrix >::fullMatrix().

template<typename Treal, typename Tmatrix>

int mat::MatrixBase< Treal, Tmatrix >::get_nrows ( ) const

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

Referenced by mat::MatrixGeneral< Treal, Tmatrix >::assignFromFull(), mat::MatrixSymmetric< Treal, Tmatrix >::assignFromFull(), mat::MatrixGeneral< Treal, Tmatrix >::fullMatrix(), mat::MatrixSymmetric< Treal, Tmatrix >::fullMatrix(), main(), mainFun(), and mat::MatrixSymmetric< Treal, Tmatrix >::quickEuclBounds().

template<typename Treal, typename Tmatrix>

void mat::MatrixBase< Treal, Tmatrix >::getCols ( SizesAndBlocks &  colsCopy ) const

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

template<typename Treal, typename Tmatrix>

Tmatrix const& mat::MatrixBase< Treal, Tmatrix >::getMatrix ( ) const

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

template<typename Treal, typename Tmatrix>

Tmatrix& mat::MatrixBase< Treal, Tmatrix >::getMatrix ( )

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

template<typename Treal, typename Tmatrix>

static void mat::MatrixBase< Treal, Tmatrix >::getPermutedIndexes ( std::vector< int > const &  index, std::vector< int > const &  permutation, std::vector< int > &  newIndex  )

inlinestaticprotected

Referenced by mat::MatrixGeneral< Treal, Tmatrix >::assign_from_sparse(), mat::MatrixGeneral< Treal, Tmatrix >::get_all_values(), mat::MatrixGeneral< Treal, Tmatrix >::get_values(), and mat::MatrixSymmetric< Treal, Tmatrix >::getPermutedAndSymmetrized().

template<typename Treal, typename Tmatrix>

void mat::MatrixBase< Treal, Tmatrix >::getRows ( SizesAndBlocks &  rowsCopy ) const

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

template<typename Treal, typename Tmatrix>

void mat::MatrixBase< Treal, Tmatrix >::inMemorySet ( bool  )

inlineprotectedvirtual

Make object invalid (false) via this function when object is written to file and valid (true) when object is read from file.

Implements mat::FileWritable.

References mat::ValidPtr< Tobj >::inMemorySet(), and mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

template<typename Treal, typename Tmatrix>

bool mat::MatrixBase< Treal, Tmatrix >::is_empty ( ) const

inline

Check if matrix is empty.

Being empty is not the same as being zero. A matrix being empty means that the data structure has not been set.

References mat::ValidPtr< Tobj >::haveDataStructureGet(), and mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

Referenced by mat::MatrixBase< Treal, Tmatrix >::clear().

template<typename Treal, typename Tmatrix>

Treal mat::MatrixBase< Treal, Tmatrix >::maxAbsValue ( ) const

inline

Get largest absolute value of matrix element in the matrix.

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

template<typename Treal, typename Tmatrix>

size_t mat::MatrixBase< Treal, Tmatrix >::memory_usage ( ) const

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

Referenced by mainFun().

template<typename Treal, typename Tmatrix>

std::string mat::MatrixBase< Treal, Tmatrix >::obj_type_id ( ) const

inlineprotectedvirtual

Implements mat::FileWritable.

Reimplemented in mat::MatrixSymmetric< Treal, Tmatrix >, mat::MatrixGeneral< Treal, Tmatrix >, and mat::MatrixTriangular< Treal, Tmatrix >.

template<typename Treal, typename Tmatrix>

MatrixBase<Treal, Tmatrix>& mat::MatrixBase< Treal, Tmatrix >::operator*= ( Treal const  alpha )

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

template<typename Treal, typename Tmatrix>

MatrixBase<Treal, Tmatrix>& mat::MatrixBase< Treal, Tmatrix >::operator= ( const MatrixBase< Treal, Tmatrix > &  other )

inlineprotected

References mat::ValidPtr< Tobj >::getConstRefForCopying(), mat::ValidPtr< Tobj >::haveDataStructureGet(), mat::ValidPtr< Tobj >::haveDataStructureSet(), mat::ValidPtr< Tobj >::inMemoryGet(), mat::ValidPtr< Tobj >::inMemorySet(), mat::MatrixBase< Treal, Tmatrix >::matrixPtr, and mat::FileWritable::operator=().

Referenced by mat::MatrixTriangular< Treal, Tmatrix >::operator=(), mat::MatrixGeneral< Treal, Tmatrix >::operator=(), and mat::MatrixSymmetric< Treal, Tmatrix >::operator=().

template<typename Treal, typename Tmatrix>

MatrixBase<Treal, Tmatrix>& mat::MatrixBase< Treal, Tmatrix >::operator= ( const Xtrans< MatrixGeneral< Treal, Tmatrix > > &  mt )

inlineprotected

References mat::ValidPtr< Tobj >::haveDataStructureSet(), mat::MatrixBase< Treal, Tmatrix >::matrixPtr, and mat::transpose().

template<typename Treal, typename Tmatrix>

bool mat::MatrixBase< Treal, Tmatrix >::operator== ( int  k ) const

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

template<typename Treal , typename Tmatrix >

void mat::MatrixBase< Treal, Tmatrix >::read_from_buffer_base ( void *  buffer, const int  n_bytes, const matrix_type  mattype  )

protected

Referenced by mat::MatrixTriangular< Treal, Tmatrix >::read_from_buffer(), mat::MatrixGeneral< Treal, Tmatrix >::read_from_buffer(), and mat::MatrixSymmetric< Treal, Tmatrix >::read_from_buffer().

template<typename Treal , typename Tmatrix >

void mat::MatrixBase< Treal, Tmatrix >::readFromFileBase ( std::ifstream &  file, matrix_type const  mattype  )

protected

Referenced by mat::MatrixTriangular< Treal, Tmatrix >::readFromFileProt(), mat::MatrixGeneral< Treal, Tmatrix >::readFromFileProt(), and mat::MatrixSymmetric< Treal, Tmatrix >::readFromFileProt().

template<typename Treal, typename Tmatrix>

void mat::MatrixBase< Treal, Tmatrix >::resetSizesAndBlocks ( SizesAndBlocks const &  newRows, SizesAndBlocks const &  newCols  )

inline

References mat::ValidPtr< Tobj >::haveDataStructureSet(), and mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

Referenced by mat::MatrixTriangular< Treal, Tmatrix >::assign_from_sparse(), mat::MatrixGeneral< Treal, Tmatrix >::assign_from_sparse(), mat::MatrixSymmetric< Treal, Tmatrix >::assign_from_sparse(), SCF_unrestricted::get_2e_part_and_energy(), SCF_unrestricted::get_S2(), SCF_unrestricted::initialize_matrices(), SCF_restricted::initialize_matrices(), main(), mainFun(), MatAccInvestigator< Treal, Tworker >::Scan(), and SCF_general::SCF_general().

template<typename Treal, typename Tmatrix>

Treal mat::MatrixBase< Treal, Tmatrix >::trace ( ) const

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

Referenced by main(), and mainFun().

template<typename Treal , typename Tmatrix >

void mat::MatrixBase< Treal, Tmatrix >::write_to_buffer_base ( void *  buffer, const int  n_bytes, const matrix_type  mattype  ) const

protected

Referenced by mat::MatrixTriangular< Treal, Tmatrix >::write_to_buffer(), mat::MatrixGeneral< Treal, Tmatrix >::write_to_buffer(), and mat::MatrixSymmetric< Treal, Tmatrix >::write_to_buffer().

template<typename Treal, typename Tmatrix>

void mat::MatrixBase< Treal, Tmatrix >::write_to_buffer_count ( int &  n_bytes ) const

inline

References mat::MatrixBase< Treal, Tmatrix >::matrixPtr.

template<typename Treal , typename Tmatrix >

void mat::MatrixBase< Treal, Tmatrix >::writeToFileBase ( std::ofstream &  file, matrix_type const  mattype  ) const

protected

Referenced by mat::MatrixTriangular< Treal, Tmatrix >::writeToFileProt(), mat::MatrixGeneral< Treal, Tmatrix >::writeToFileProt(), and mat::MatrixSymmetric< Treal, Tmatrix >::writeToFileProt().

Friends And Related Function Documentation

template<typename Treal, typename Tmatrix>

friend class MatrixGeneral< Treal, Tmatrix >

friend

template<typename Treal, typename Tmatrix>

friend class MatrixSymmetric< Treal, Tmatrix >

friend

template<typename Treal, typename Tmatrix>

friend class MatrixTriangular< Treal, Tmatrix >

friend

Member Data Documentation

template<typename Treal, typename Tmatrix>

ValidPtr<Tmatrix> mat::MatrixBase< Treal, Tmatrix >::matrixPtr

protected

Referenced by mat::MatrixSymmetric< Treal, Tmatrix >::accumulateWith(), mat::MatrixBase< Treal, Tmatrix >::add_identity(), mat::MatrixTriangular< Treal, Tmatrix >::add_values(), mat::MatrixSymmetric< Treal, Tmatrix >::add_values(), mat::MatrixTriangular< Treal, Tmatrix >::assign_from_sparse(), mat::MatrixGeneral< Treal, Tmatrix >::assign_from_sparse(), mat::MatrixSymmetric< Treal, Tmatrix >::assign_from_sparse(), mat::MatrixGeneral< Treal, Tmatrix >::assignFromFull(), mat::MatrixSymmetric< Treal, Tmatrix >::assignFromFull(), mat::MatrixBase< Treal, Tmatrix >::clear(), mat::MatrixTriangular< Treal, Tmatrix >::frob(), mat::MatrixGeneral< Treal, Tmatrix >::frob(), mat::MatrixSymmetric< Treal, Tmatrix >::frob(), mat::MatrixTriangular< Treal, Tmatrix >::frob_thresh(), mat::MatrixGeneral< Treal, Tmatrix >::frob_thresh(), mat::MatrixSymmetric< Treal, Tmatrix >::frob_thresh(), mat::MatrixGeneral< Treal, Tmatrix >::fullMatrix(), mat::MatrixSymmetric< Treal, Tmatrix >::fullMatrix(), mat::MatrixGeneral< Treal, Tmatrix >::gershgorin(), mat::MatrixSymmetric< Treal, Tmatrix >::gershgorin(), mat::MatrixTriangular< Treal, Tmatrix >::get_all_values(), mat::MatrixGeneral< Treal, Tmatrix >::get_all_values(), mat::MatrixSymmetric< Treal, Tmatrix >::get_all_values(), mat::MatrixBase< Treal, Tmatrix >::get_ncols(), mat::MatrixBase< Treal, Tmatrix >::get_nrows(), mat::MatrixTriangular< Treal, Tmatrix >::get_values(), mat::MatrixGeneral< Treal, Tmatrix >::get_values(), mat::MatrixSymmetric< Treal, Tmatrix >::get_values(), mat::MatrixBase< Treal, Tmatrix >::getCols(), mat::MatrixBase< Treal, Tmatrix >::getMatrix(), mat::MatrixBase< Treal, Tmatrix >::getRows(), mat::MatrixTriangular< Treal, Tmatrix >::inch(), mat::MatrixBase< Treal, Tmatrix >::inMemorySet(), mat::MatrixBase< Treal, Tmatrix >::is_empty(), mat::MatrixBase< Treal, Tmatrix >::MatrixBase(), mat::MatrixGeneral< Treal, Tmatrix >::MatrixGeneral(), mat::MatrixSymmetric< Treal, Tmatrix >::MatrixSymmetric(), mat::MatrixBase< Treal, Tmatrix >::maxAbsValue(), mat::MatrixBase< Treal, Tmatrix >::memory_usage(), mat::MatrixTriangular< Treal, Tmatrix >::nnz(), mat::MatrixGeneral< Treal, Tmatrix >::nnz(), mat::MatrixSymmetric< Treal, Tmatrix >::nnz(), mat::MatrixTriangular< Treal, Tmatrix >::nvalues(), mat::MatrixGeneral< Treal, Tmatrix >::nvalues(), mat::MatrixSymmetric< Treal, Tmatrix >::nvalues(), mat::MatrixBase< Treal, Tmatrix >::operator*=(), mat::MatrixTriangular< Treal, Tmatrix >::operator=(), mat::MatrixBase< Treal, Tmatrix >::operator=(), mat::MatrixGeneral< Treal, Tmatrix >::operator=(), mat::MatrixSymmetric< Treal, Tmatrix >::operator=(), mat::MatrixBase< Treal, Tmatrix >::operator==(), mat::MatrixTriangular< Treal, Tmatrix >::random(), mat::MatrixGeneral< Treal, Tmatrix >::random(), mat::MatrixSymmetric< Treal, Tmatrix >::random(), mat::MatrixGeneral< Treal, Tmatrix >::randomZeroStructure(), mat::MatrixSymmetric< Treal, Tmatrix >::randomZeroStructure(), mat::MatrixBase< Treal, Tmatrix >::resetSizesAndBlocks(), mat::MatrixTriangular< Treal, Tmatrix >::setElementsByRule(), mat::MatrixGeneral< Treal, Tmatrix >::setElementsByRule(), mat::MatrixSymmetric< Treal, Tmatrix >::setElementsByRule(), mat::MatrixSymmetric< Treal, Tmatrix >::simple_blockwise_frob_thresh(), mat::MatrixBase< Treal, Tmatrix >::trace(), mat::MatrixSymmetric< Treal, Tmatrix >::transfer(), and mat::MatrixBase< Treal, Tmatrix >::write_to_buffer_count().

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

• source/matrix/MatrixBase.h