Detailed Description

A grid of points indexed by integer coordinates.

The coordinates of a point on a grid form an IntVector, referred to here as a grid position. Each element of a grid position must lie in the range 0 <= position[i] < dimension(i), where i indexes a Cartesian axis, and dimension(i) is the dimension of the grid along axis i.

Each grid position is also assigned a non-negative integer rank. Grid position ranks are ordered sequentially like elements in a multi-dimensional C array, with the last coordinate being the most rapidly varying.

Definition at line 33 of file Grid.h.

#include <Grid.h>

Public Member Functions
	Grid ()
	Default constructor. More...

	Grid (const IntVector &dimensions)
	Constructor. More...

void	setDimensions (const IntVector &dimensions)
	Set the grid dimensions in all directions. More...

IntVector	dimensions () const
	Get an IntVector of the grid dimensions. More...

int	dimension (int i) const
	Get grid dimension along Cartesian 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 coordinate in range? More...

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

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

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

Constructor & Destructor Documentation

Util::Grid::Grid ( )

Default constructor.

Definition at line 15 of file Grid.cpp.

References dimensions(), and setDimensions().

Util::Grid::Grid ( const IntVector & dimensions )

Constructor.

Parameters

dimensions IntVector of grid dimensions

Definition at line 24 of file Grid.cpp.

References setDimensions().

Member Function Documentation

void Util::Grid::setDimensions ( const IntVector & dimensions )

Set the grid dimensions in all directions.

Parameters

dimensions IntVector of grid dimensions.

Definition at line 32 of file Grid.cpp.

References Util::Dimension, dimensions(), and UTIL_THROW.

Referenced by Tools::CellList::allocate(), DdMd::CellList::allocate(), Grid(), and DdMd::Domain::save().

IntVector Util::Grid::dimensions ( ) const

inline

Get an IntVector of the grid dimensions.

Definition at line 156 of file Grid.h.

Referenced by Grid(), and setDimensions().

int Util::Grid::dimension ( int i ) const

inline

Get grid dimension along Cartesian direction i.

Parameters

i	index of Cartesian direction 0 <=i < Util::Dimension

Definition at line 159 of file Grid.h.

References Util::Dimension.

Referenced by Tools::CellList::allocate(), DdMd::CellList::allocate(), DdMd::Exchanger::exchange(), and DdMd::CellList::makeGrid().

int Util::Grid::size ( ) const

inline

Get total number of grid points.

Definition at line 166 of file Grid.h.

Referenced by DdMd::AtomDistributor::addAtom(), Tools::CellList::allocate(), DdMd::CellList::allocate(), Tools::CellList::build(), DdMd::CellList::build(), Tools::CellList::clear(), DdMd::CellList::clear(), Tools::CellList::isValid(), DdMd::CellList::isValid(), Tools::CellList::makeGrid(), DdMd::AtomCollector::nextPtr(), DdMd::GroupCollector< N >::nextPtr(), DdMd::AtomDistributor::readParameters(), DdMd::AtomDistributor::send(), and DdMd::AtomDistributor::setup().

IntVector Util::Grid::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 64 of file Grid.cpp.

References Util::Dimension.

Referenced by DdMd::Domain::save().

int Util::Grid::rank ( const IntVector & position ) const

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 49 of file Grid.cpp.

References Util::Dimension.

Referenced by Tools::CellList::allocate(), DdMd::CellList::allocate(), DdMd::Domain::ownerRank(), and DdMd::Domain::save().

bool Util::Grid::isInGrid	(	int	coordinate,
		int	i
	)		const

Is this coordinate in range?

Parameters

coordinate	coordinate value for direction i
i	index for Cartesian direction

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

Definition at line 78 of file Grid.cpp.

Referenced by DdMd::Domain::save().

bool Util::Grid::isInGrid ( IntVector & position ) const

Is this IntVector grid position within the grid?

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

Parameters

position grid point position

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

Definition at line 88 of file Grid.cpp.

References Util::Dimension.

int Util::Grid::shift	(	int &	coordinate,
		int	i
	)		const

Shift a periodic coordinate into 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 100 of file Grid.cpp.

Referenced by DdMd::Domain::save(), and shift().

IntVector Util::Grid::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.

Returns: IntVector of integer shifts.

Definition at line 112 of file Grid.cpp.

References Util::Dimension, and shift().

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

Detailed Description

Public Member Functions

Constructor & Destructor Documentation

Member Function Documentation