paradocks::StaticNeighborhood Class Reference
[ParaDockS Fitness function Interface]

StaticNeighborhood class. This class provides a static neighborhood list for atoms. More...

#include <fitness.hpp>

List of all members.

Public Member Functions

 StaticNeighborhood ()
 Construct an empty neighborhood list.
void setupList (const AtomList &al, Float_t cutoff, Float_t spacing)
 Initialize the neighborhood list.
const vector< unsigned int > getNeighborhood (const Vec3_t &p)
 Return the indices of the atoms in the neighborhood.


Detailed Description

StaticNeighborhood class. This class provides a static neighborhood list for atoms.

Member Function Documentation

void paradocks::StaticNeighborhood::setupList ( const AtomList &  al,
Float_t  cutoff,
Float_t  spacing 
)

Initialize the neighborhood list.

Parameters:
al atoms, which should be put in the neighborhood list.
cutoff maximum distance for atoms which belong to the neighborhood.
spacing lattice spacing.

const vector<unsigned int> paradocks::StaticNeighborhood::getNeighborhood ( const Vec3_t &  p  ) 

Return the indices of the atoms in the neighborhood.

Parameters:
p the returned neighborhood list is arround position p.


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

Generated on Mon Nov 23 08:31:44 2009 for ParaDockS by  doxygen 1.5.8