SBMStructuralModelGrid Class Reference

This class describes a grid-based neighbor search algorithm that can be applied to atoms (atoms or pseudo-atoms). More...

Destructor
	SBMStructuralModelGrid (const SBNodeIndexer &nodeIndexer, const SBQuantity::length &cutoffDistance)
	Constructs a neighbor search grid
virtual	~SBMStructuralModelGrid ()
	Destroys the neighbor search grid.

Neighbor vectors
virtual void	update ()
	Updates the grid and neighbor lists.
SBVector< SBAtom * > const *	getNeighborVector (unsigned int i) const
	Returns the neighbor vector of atom i.
SBVector< SBAtom * > const *	getNeighborVector (SBAtom *atom) const
	Returns the neighbor vector of atom atom.

Neighbor search
virtual bool	areNeighbors (unsigned int i, unsigned int j) const
	Returns whether atoms with indices i and j are neighbors.
virtual bool	areNeighbors (SBAtom *atomI, SBAtom *atomJ) const
	Returns whether atoms atomI and atomJ are neighbors.
virtual void	getNeighbors (SBVector< SBAtom * > &neighborVector, const SBPosition3 &position, const SBQuantity::length &radius) const
	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
	Appends to neighborVector all atoms inside the box.

Debugging
virtual void	print (unsigned int offset=0) const
	Prints debugging information.
	SB_DECLARE_DATA (SBMStructuralModelGrid)

Additional Inherited Members
Public Member Functions inherited from SBCReferenceTarget
unsigned int	getMemoryFootprint () const
void	printReferencesToOwners () const
	SBCReferenceTarget ()
virtual	~SBCReferenceTarget ()
Protected Member Functions inherited from SBCReferenceTarget
void	removeAllReferenceOwners ()
	SBCReferenceTarget (SBCReferenceTargetData *dataPointer)
Protected Attributes inherited from SBCReferenceTarget
SBCReferenceTargetData *	dataPointer

Detailed Description

This class may be used by developers to perform neighbor search between atoms . Internally, the neighbor search algorithm uses a grid to efficiently determine neighbors.

Constructor & Destructor Documentation

SBMStructuralModelGrid()

SBMStructuralModelGrid::SBMStructuralModelGrid	(	const SBNodeIndexer &	nodeIndexer,
		const SBQuantity::length &	c
	)

This constructor initializes the neighbor search algorithm. After the grid is constructed, neighbor lists are available and can be retrieved using the getNeighborVector functions.