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 |
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.
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.