Class SBSNeighborSearchPositionGrid#

ClassList > SBSNeighborSearchPositionGrid

This class is the base class of neighbor search algorithms. More...

#include "SBSNeighborSearchPositionGrid.hpp"

Inherits the following classes: SBSNeighborSearch

Classes#

Type	Name
class	GridCell
class	GridKey
class	GridKeyComparator
class	GridKeyFunctor

Public Attributes#

Type	Name
SBQuantity::squareLength *	cutoffDistanceSquared The squared cutoff distance.
SBHashMap< GridKey, GridCell , GridKeyFunctor, GridKeyComparator >	grid
SBVector< GridKey > *	gridKeyVector
SBIndexer< unsigned int > *	indexIndexer The set of indices the neighbor search algorithm is applied to.
SBQuantity::inverseLength *	inverseCutoffDistance The inverse cutoff distance.
SBBuffer< SBVector< unsigned int > * > *	neighborVectorBuffer The buffer containing the neighbor lists associated to each index.
SBBuffer< SBPosition3 > *	positionBuffer The buffer containing the positions.

Public Functions#

Type	Name
	SBSNeighborSearchPositionGrid (const SBVector< SBPosition3 > & positionVector, const SBQuantity::length & cutoffDistance, bool findNeighbors=true) Constructs a neighbor search grid.
virtual void	getNeighbors (SBVector< unsigned int > & neighborVector, const SBPosition3 & position, const SBQuantity::length & radius) const Returns all atoms that are at a distance smaller than or equal to `radius` from the specified`position` .
virtual bool	hasNeighbors (const SBPosition3 & position, const SBQuantity::length & radius) const Returns `true` if there are neighbors within`radius` of`position` .
virtual	~SBSNeighborSearchPositionGrid () Destroys the neighbor search grid.

Public Functions inherited from SBSNeighborSearch#

See SBSNeighborSearch

Type	Name
	SB_DECLARE_DATA (SBSNeighborSearch)
virtual void	print (unsigned int offset=0) const Prints debugging information.
virtual	~SBSNeighborSearch () Destructor.

Public Functions inherited from SBCReferenceTarget#

See SBCReferenceTarget

Type	Name
	SBCReferenceTarget () Builds the reference target.
unsigned int	getMemoryFootprint () const Returns the memory footprint.
void	printReferencesToOwners () const Prints the references to the owners of this reference target.
virtual	~SBCReferenceTarget () Destructor.

Protected Attributes inherited from SBCReferenceTarget#

See SBCReferenceTarget

Type	Name
SBCReferenceTargetData *	dataPointer A pointer to the private data.

Protected Functions inherited from SBSNeighborSearch#

See SBSNeighborSearch

Type	Name
	SBSNeighborSearch () Protected constructor.
	SBSNeighborSearch (SBSNeighborSearchData * dataPointer) Protected constructor.

Protected Functions inherited from SBCReferenceTarget#

See SBCReferenceTarget

Type	Name
	SBCReferenceTarget (SBCReferenceTargetData * dataPointer) Protected constructor.
void	removeAllReferenceOwners () Stops all the reference owners from referencing this reference target.

Detailed Description#

Short name: SBPositionGrid

Public Attributes Documentation#

variable cutoffDistanceSquared#

The squared cutoff distance.

SBQuantity::squareLength* SBSNeighborSearchPositionGrid::cutoffDistanceSquared;

variable grid#

SBHashMap<GridKey, GridCell*, GridKeyFunctor, GridKeyComparator>* SBSNeighborSearchPositionGrid::grid;

variable gridKeyVector#

SBVector<GridKey>* SBSNeighborSearchPositionGrid::gridKeyVector;

variable indexIndexer#

The set of indices the neighbor search algorithm is applied to.

SBIndexer<unsigned int>* SBSNeighborSearchPositionGrid::indexIndexer;

variable inverseCutoffDistance#

The inverse cutoff distance.

SBQuantity::inverseLength* SBSNeighborSearchPositionGrid::inverseCutoffDistance;

variable neighborVectorBuffer#

The buffer containing the neighbor lists associated to each index.

SBBuffer<SBVector<unsigned int>*>* SBSNeighborSearchPositionGrid::neighborVectorBuffer;

variable positionBuffer#

The buffer containing the positions.

SBBuffer<SBPosition3>* SBSNeighborSearchPositionGrid::positionBuffer;

Public Functions Documentation#

function SBSNeighborSearchPositionGrid#

Constructs a neighbor search grid.

SBSNeighborSearchPositionGrid::SBSNeighborSearchPositionGrid (
    const SBVector< SBPosition3 > & positionVector,
    const SBQuantity::length & cutoffDistance,
    bool findNeighbors=true
)

Initialize the grid.

Parameters:

positionVector The vector of positions
cutoffDistance The cutoff distance
findNeighbors When true, performs a complete neighbor search and initializes neighborVectorBuffer. Setting findNeighbors to false saves time when the grid is only used to find neighboring positions through hasNeighbors and getNeighbors.

function getNeighbors#

Returns all atoms that are at a distance smaller than or equal to radius from the specifiedposition .

virtual void SBSNeighborSearchPositionGrid::getNeighbors (
    SBVector< unsigned int > & neighborVector,
    const SBPosition3 & position,
    const SBQuantity::length & radius
) const

function hasNeighbors#

Returns true if there are neighbors withinradius ofposition .

virtual bool SBSNeighborSearchPositionGrid::hasNeighbors (
    const SBPosition3 & position,
    const SBQuantity::length & radius
) const

function ~SBSNeighborSearchPositionGrid#

Destroys the neighbor search grid.

virtual SBSNeighborSearchPositionGrid::~SBSNeighborSearchPositionGrid ()