This class describes a grid-based neighbor search algorithm that can be applied to particle systems with periodic boundary conditions.

Debugging
SBQuantity::length *	cutoffDistance

SBPointerIndexer< SBAtom > const *	atomIndexer

SBHashMap< GridKey, GridCell , GridKeyFunctor, GridKeyComparator >	grid

SBVector< GridKey > *	gridKeyVector

virtual void	print (unsigned int offset=0) const override
	Prints debugging information.

void	updateLists ()

void	checkCell (GridCell *gridCellJ, int i, std::set< unsigned int > &neighbors)

bool	isInTheBox (SBPosition3 const &position)

void	checkCellsAroundSmallBox (GridKey &gridKeyI, int i)

void	checkCellsAroundBigBox (GridKey &gridKeyI, int i)

void	getCellCoordinates (SBPosition3 const &position, SBVector3 &coordinates)

bool	cellCrossesTheBox (GridKey &gridKey)

void	getMirrorCellKey (GridKey &gridKey, GridKey &gridKeyMirror)

void	checkCellsAroundCellByCell ()

void	checkCellsCross (GridCell gridCellI, GridCell gridCellJ)

Destructor
	SBSNeighborSearchParticleSystemGridPBC (SBParticleSystem *, const SBQuantity::length &cutoffDistance)

virtual	~SBSNeighborSearchParticleSystemGridPBC ()

Neighbor lists
virtual void	initializeNeighborLists () override

virtual void	updateNeighborLists () override
	Important: this function does not appear to work at the moment. Please rebuild a grid at each step.

Neighbor search
virtual void	getNeighbors (SBVector< SBAtom * > &neighborVector, const SBPosition3 &position, const SBQuantity::length &radius) const override
	Appends to `neighborVector` all atoms that are at a distance smaller than or equal to `radius` from the specified `position`.

virtual void	getNeighbors (SBVector< SBAtom * > &neighborVector, const SBIAPosition3 &box) const override
	Appends to `neighborVector` all atoms inside the `box`.

Event handling <br>
void	onDynamicalEvent (SBDynamicalEvent *dynamicalEvent)

Additional Inherited Members
Public Member Functions inherited from SBSNeighborSearchParticleSystemPBC
virtual	~SBSNeighborSearchParticleSystemPBC ()

SBVector< SBAtom * > *	getNeighborVector (unsigned int i)

void	onDynamicalEvent (SBDynamicalEvent *dynamicalEvent)

Public Member Functions inherited from SBSNeighborSearch
virtual	~SBSNeighborSearch ()

Public Member Functions inherited from SBCReferenceTarget
unsigned int	getMemoryFootprint () const

void	printReferencesToOwners () const

	SBCReferenceTarget ()

virtual	~SBCReferenceTarget ()

Protected Member Functions inherited from SBSNeighborSearchParticleSystemPBC
	SBSNeighborSearchParticleSystemPBC (SBParticleSystem *, const SBQuantity::length &cutoffDistance)

Protected Member Functions inherited from SBSNeighborSearch
	SBSNeighborSearch ()

Protected Member Functions inherited from SBCReferenceTarget
void	removeAllReferenceOwners ()

	SBCReferenceTarget (SBCReferenceTargetData *dataPointer)

Protected Attributes inherited from SBSNeighborSearchParticleSystemPBC
SBQuantity::squareLength *	cutoffDistanceSquared

SBQuantity::inverseLength *	inverseCutoffDistance

SBPointer< SBParticleSystem > *	particleSystem
	The particle system the neighbor search algorithm is attached to.

SBBuffer< SBVector< SBAtom * > * > *	neighborVectorBuffer
	The buffer containing the neighbor lists associated to each atom.

SBIAPosition3 *	boxPBC

SBQuantity::length *	boxSizeX

SBQuantity::length *	boxSizeY

SBQuantity::length *	boxSizeZ

Protected Attributes inherited from SBCReferenceTarget
SBCReferenceTargetData *	dataPointer

Member Function Documentation

◆ getNeighbors() [1/2]

void SBSNeighborSearchParticleSystemGridPBC::getNeighbors	(	SBVector< SBAtom * > &	neighborVector,
		const SBIAPosition3 &	box
	)		const

overridevirtual

Reimplemented from SBSNeighborSearchParticleSystemPBC.

◆ getNeighbors() [2/2]

void SBSNeighborSearchParticleSystemGridPBC::getNeighbors	(	SBVector< SBAtom * > &	neighborVector,
		const SBPosition3 &	position,
		const SBQuantity::length &	radius
	)		const