ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager > Class Template Reference

#include <CellListEnumerator_standard.h>

List of all members.

Public Member Functions

 CellListEnumerator ()
void initialize (const Topology< VacuumBoundaryConditions, CubicCellManager > *topo, Real cutoff)
void get (CellPair &cp)
bool notSameCell ()
bool done ()
void gotoEndPair ()
void nextNewPair (int inc)
void next ()

Private Attributes

CubicCellManager::CellListStructure::const_iterator i
CubicCellManager::CellListStructure::const_iterator j
CubicCellManager::CellListStructure::const_iterator the_beginning
CubicCellManager::CellListStructure::const_iterator the_end
Real myCutoff
std::vector< CubicCellManager::Cell > myDeltaList
int the_first
int the_last
int the_counter
const CubicCellManager::CellListStructure * myCellListStruct
Vector3D myCellSize
CubicCellManager::Cell myMax

Detailed Description

template<>
class ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >

Specialization of the cell enumerator for vacuum and cubic cell manager

Member Function Documentation

ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::CellListEnumerator (   )  [inline]
 

bool ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::done (   )  [inline]
 

reached the end of the list of cell pairs

void ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::get (  CellPair &  cp  )  [inline]
 

retrieve the current cell pair

void ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::gotoEndPair (   )  [inline]
 

goto the end of pair of cells with the same first cell

void ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::initialize (  const Topology< VacuumBoundaryConditions, CubicCellManager > *  topo,
Real  cutoff
)  [inline]
 

void ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::next (   )  [inline]
 

get next pair

void ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::nextNewPair (  int  inc  )  [inline]
 

advance by inc in the cell list in respect to first cell

bool ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::notSameCell (   )  [inline]
 

if the cells of the current cell pair are the same

Member Data Documentation

CubicCellManager::CellListStructure::const_iterator ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::i [private]
 

CubicCellManager::CellListStructure::const_iterator ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::j [private]
 

const CubicCellManager::CellListStructure* ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::myCellListStruct [private]
 

Vector3D ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::myCellSize [private]
 

Real ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::myCutoff [private]
 

std::vector<CubicCellManager::Cell> ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::myDeltaList [private]
 

CubicCellManager::Cell ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::myMax [private]
 

CubicCellManager::CellListStructure::const_iterator ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::the_beginning [private]
 

int ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::the_counter [private]
 

CubicCellManager::CellListStructure::const_iterator ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::the_end [private]
 

int ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::the_first [private]
 

int ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::the_last [private]
 

The documentation for this class was generated from the following file: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.