Detailed Description

template<typename Data>
class Util::GridArray< Data >

Multi-dimensional array with the dimensionality of space.

The memory for a GridArray is stored in a single one-dimensional C array. The subscript [] operator is overloaded to return an element indexed by a one-dimensional rank, and the () operator is overloaded to return an element indexed by an IntVector of grid coordinates.

Definition at line 28 of file GridArray.h.

#include <GridArray.h>

Public Member Functions
	GridArray ()
	Constructor. More...

	GridArray (const GridArray< Data > &other)
	Copy constructor. More...

	~GridArray ()
	Destructor. More...

GridArray< Data > &	operator= (const GridArray< Data > &other)
	Assignment. More...

void	allocate (const IntVector &dimensions)
	Allocate memory for a matrix. More...

template<class Archive >
void	serialize (Archive &ar, const unsigned int version)
	Serialize a GridArray to/from an Archive. More...

bool	isAllocated () const
	Return true if the GridArray has been allocated, false otherwise. More...

const IntVector &	dimensions ()
	Get all dimensions of array as an IntVector. More...

int	dimension (int i) const
	Get number of grid points along direction i. More...

int	size () const
	Get total number of grid points. More...

IntVector	position (int rank) const
	Get the position IntVector of a grid point with a specified rank. More...

int	rank (const IntVector &position) const
	Get the rank of a grid point with specified position. More...

bool	isInGrid (int coordinate, int i) const
	Is this 1D coordinate in range? More...

bool	isInGrid (IntVector &position) const
	Is this position within the grid? More...

int	shift (int &coordinate, int i) const
	Shift a periodic 1D coordinate into primary range. More...

IntVector	shift (IntVector &position) const
	Shift a periodic position into primary grid. More...

const Data &	operator[] (int rank) const
	Return element by const reference, indexed by 1D rank. More...

Data &	operator[] (int rank)
	Return element by reference, indexed by 1D rank. More...

const Data &	operator() (const IntVector &position) const
	Return element by const reference, indexed by IntVector position. More...

Data &	operator() (const IntVector &position)
	Return element by reference, indexed by IntVector position. More...

Constructor & Destructor Documentation

template<typename Data >

Util::GridArray< Data >::GridArray ( )

inline

Constructor.

Constructor (protected).

Definition at line 217 of file GridArray.h.

template<typename Data>

Util::GridArray< Data >::GridArray ( const GridArray< Data > & other )

Copy constructor.

Definition at line 242 of file GridArray.h.

References Util::GridArray< Data >::allocate(), Util::GridArray< Data >::isAllocated(), and UTIL_THROW.

template<typename Data >

Util::GridArray< Data >::~GridArray ( )

Destructor.

Delete dynamically allocated C array, if allocated.

Definition at line 230 of file GridArray.h.

Member Function Documentation

template<typename Data>

GridArray< Data > & Util::GridArray< Data >::operator= ( const GridArray< Data > & other )

Assignment.

Definition at line 272 of file GridArray.h.

References Util::GridArray< Data >::allocate(), Util::GridArray< Data >::isAllocated(), and UTIL_THROW.

template<typename Data >

void Util::GridArray< Data >::allocate ( const IntVector & dimensions )

Allocate memory for a matrix.

Parameters

dimensions IntVector containing dimensions

Definition at line 312 of file GridArray.h.

References Util::Dimension, Util::GridArray< Data >::dimensions(), Util::GridArray< Data >::isAllocated(), and UTIL_THROW.

Referenced by Util::GridArray< Data >::GridArray(), McMd::MdSpmePotential::makeWaves(), Util::GridArray< Data >::operator=(), and Util::GridArray< Data >::serialize().

template<class Data >

template<class Archive >

void Util::GridArray< Data >::serialize	(	Archive &	ar,
		const unsigned int	version
	)

Serialize a GridArray to/from an Archive.

Parameters

ar	archive
version	archive version id

Definition at line 336 of file GridArray.h.

References Util::GridArray< Data >::allocate(), Util::GridArray< Data >::dimensions(), and Util::GridArray< Data >::isAllocated().

template<class Data >

bool Util::GridArray< Data >::isAllocated ( ) const

inline

Return true if the GridArray has been allocated, false otherwise.

Definition at line 517 of file GridArray.h.

Referenced by Util::GridArray< Data >::allocate(), Util::GridArray< Data >::GridArray(), Util::GridArray< Data >::operator=(), and Util::GridArray< Data >::serialize().

template<typename Data >

const IntVector & Util::GridArray< Data >::dimensions ( )

inline

Get all dimensions of array as an IntVector.

Returns: IntVector containing the number of elements in each direction.

Definition at line 357 of file GridArray.h.

Referenced by Util::GridArray< Data >::allocate(), and Util::GridArray< Data >::serialize().

template<class Data >

int Util::GridArray< Data >::dimension ( int i ) const

inline

Get number of grid points along direction i.

Parameters

i	index of Cartesian direction 0 <=i < 3.

Definition at line 364 of file GridArray.h.

Referenced by McMd::MdSpmePotential::makeWaves().

template<class Data >

int Util::GridArray< Data >::size ( ) const

inline

Get total number of grid points.

Definition at line 371 of file GridArray.h.

References Util::Dimension, Util::GridArray< Data >::position(), and Util::GridArray< Data >::rank().

Referenced by McMd::MdSpmePotential::addForces(), McMd::MdSpmePotential::computeEnergy(), McMd::MdSpmePotential::computeStress(), and McMd::MdSpmePotential::makeWaves().

template<typename Data >

IntVector Util::GridArray< Data >::position ( int rank ) const

Get the position IntVector of a grid point with a specified rank.

Parameters

rank	integer rank of a grid point.

Returns: IntVector containing coordinates of specified point.

Definition at line 404 of file GridArray.h.

References Util::Dimension, and Util::GridArray< Data >::rank().

Referenced by Util::GridArray< Data >::size().

template<typename Data >

int Util::GridArray< Data >::rank ( const IntVector & position ) const

inline

Get the rank of a grid point with specified position.

Parameters

position integer position of a grid point

Returns: integer rank of specified grid point

Definition at line 394 of file GridArray.h.

Referenced by Util::GridArray< Data >::operator()(), Util::GridArray< Data >::operator[](), Util::GridArray< Data >::position(), and Util::GridArray< Data >::size().

template<typename Data >

bool Util::GridArray< Data >::isInGrid	(	int	coordinate,
		int	i
	)		const

Is this 1D coordinate in range?

Returns true iff 0 <= coordinate < dimension(i).

Parameters

coordinate	coordinate value for direction i
i	index for Cartesian direction

Definition at line 422 of file GridArray.h.

template<typename Data >

bool Util::GridArray< Data >::isInGrid ( IntVector & position ) const

Is this position within the grid?

Returns true iff 0 <= coordinate[i] < dimension(i) for all i.

Parameters

position grid point position

Definition at line 436 of file GridArray.h.

References Util::Dimension.

template<typename Data >

int Util::GridArray< Data >::shift	(	int &	coordinate,
		int	i
	)		const

Shift a periodic 1D coordinate into primary range.

Upon return, the coordinate will be shifted to lie within the range 0 <= coordinate < dimension(i) by subtracting an integer multiple of dimension(i), giving coordinate - shift*dimension(i). The return value is the required integer `shift'.

Parameters

coordinate	coordinate in Cartesian direction i.
i	index of Cartesian direction, i >= 0.

Returns: multiple of dimension(i) subtracted from input value.

Definition at line 452 of file GridArray.h.

Referenced by Util::GridArray< Data >::shift().

template<typename Data >

IntVector Util::GridArray< Data >::shift ( IntVector & position ) const

Shift a periodic position into primary grid.

Upon return, each element of the parameter position is shifted to lie within the range 0 <= position[i] < dimension(i) by adding or subtracting an integer multiple of dimension(i). The IntVector of shift values is returned.

Parameters

position IntVector position within a grid.