ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
Main Page | Namespace List | Class Hierarchy | Alphabetical List | Class List | File List | Namespace Members | Class Members | File Members

ProtoMol::ArrayCellListStructure Class Reference

#include <ArrayCellListStructure.h>

List of all members.

Public Types

typedef TContainer::value_type value_type
typedef TContainer::reference reference
typedef TContainer::const_reference const_reference
typedef TContainer::pointer pointer
typedef TContainer::const_pointer const_pointer
typedef TContainer::iterator iterator
typedef TContainer::const_iterator const_iterator
typedef TContainer::difference_type difference_type
typedef TContainer::size_type size_type

Public Member Functions

 ArrayCellListStructure ()
iterator begin ()
iterator end ()
const_iterator begin () const
const_iterator end () const
size_type size () const
iterator find (const T1 &t1)
const_iterator find (const T1 &t1) const
T2 & operator[] (const T1 &t1)
bool checkBoundaries (const T1 &t1) const
const_iterator findPeriodic (const T1 &t1) const
iterator findPeriodic (const T1 &t1)
T1 basisCell (const T1 &t1) const
T1 periodicCell (const T1 &t1) const
void initialize (const Vector3D &max, Vector3D cellSize)
void updateCache ()
void uncache ()
int getDimX () const
int getDimY () const
int getDimZ () const

Public Attributes

bool valid

Private Types

typedef CubicCellLocation T1
typedef int T2
typedef std::pair< T1, T2 > T
typedef Array< T, 3 > TContainer

Private Attributes

TContainer myArray
Vector3D myCellSize
int myNX
int myNY
int myNZ
int myMaxNX
int myMaxNY
int myMaxNZ
int myNX1
int myNY1
int myNZ1
int myMaxNX1
int myMaxNY1
int myMaxNZ1
iterator myBegin
iterator myEnd
const_iterator myBeginConst
const_iterator myEndConst
size_type mySize

Detailed Description

Implements a cell list with an array, providing STL alike iterators and access

Member Typedef Documentation

typedef TContainer::const_iterator ProtoMol::ArrayCellListStructure::const_iterator
 

typedef TContainer::const_pointer ProtoMol::ArrayCellListStructure::const_pointer
 

typedef TContainer::const_reference ProtoMol::ArrayCellListStructure::const_reference
 

typedef TContainer::difference_type ProtoMol::ArrayCellListStructure::difference_type
 

typedef TContainer::iterator ProtoMol::ArrayCellListStructure::iterator
 

typedef TContainer::pointer ProtoMol::ArrayCellListStructure::pointer
 

typedef TContainer::reference ProtoMol::ArrayCellListStructure::reference
 

typedef TContainer::size_type ProtoMol::ArrayCellListStructure::size_type
 

typedef std::pair<T1,T2> ProtoMol::ArrayCellListStructure::T [private]
 

typedef CubicCellLocation ProtoMol::ArrayCellListStructure::T1 [private]
 

typedef int ProtoMol::ArrayCellListStructure::T2 [private]
 

typedef Array<T,3> ProtoMol::ArrayCellListStructure::TContainer [private]
 

typedef TContainer::value_type ProtoMol::ArrayCellListStructure::value_type
 

Constructor & Destructor Documentation

ProtoMol::ArrayCellListStructure::ArrayCellListStructure (   ) 
 

Member Function Documentation

T1 ProtoMol::ArrayCellListStructure::basisCell (  const T1 &  t1  )  const [inline]
 

const_iterator ProtoMol::ArrayCellListStructure::begin (   )  const [inline]
 

iterator ProtoMol::ArrayCellListStructure::begin (   )  [inline]
 

bool ProtoMol::ArrayCellListStructure::checkBoundaries (  const T1 &  t1  )  const [inline]
 

const_iterator ProtoMol::ArrayCellListStructure::end (   )  const [inline]
 

iterator ProtoMol::ArrayCellListStructure::end (   )  [inline]
 

const_iterator ProtoMol::ArrayCellListStructure::find (  const T1 &  t1  )  const [inline]
 

iterator ProtoMol::ArrayCellListStructure::find (  const T1 &  t1  )  [inline]
 

iterator ProtoMol::ArrayCellListStructure::findPeriodic (  const T1 &  t1  )  [inline]
 

case for periodic boundary conditions

const_iterator ProtoMol::ArrayCellListStructure::findPeriodic (  const T1 &  t1  )  const [inline]
 

case for periodic boundary conditions

int ProtoMol::ArrayCellListStructure::getDimX (   )  const [inline]
 

int ProtoMol::ArrayCellListStructure::getDimY (   )  const [inline]
 

int ProtoMol::ArrayCellListStructure::getDimZ (   )  const [inline]
 

void ProtoMol::ArrayCellListStructure::initialize (  const Vector3D &  max,
Vector3D  cellSize
) 
 

initialize with the size of the system and the cell size (3D)

T2& ProtoMol::ArrayCellListStructure::operator[] (  const T1 &  t1  )  [inline]
 

T1 ProtoMol::ArrayCellListStructure::periodicCell (  const T1 &  t1  )  const [inline]
 

size_type ProtoMol::ArrayCellListStructure::size (   )  const [inline]
 

void ProtoMol::ArrayCellListStructure::uncache (   )  [inline]
 

void ProtoMol::ArrayCellListStructure::updateCache (   ) 
 

Member Data Documentation

TContainer ProtoMol::ArrayCellListStructure::myArray [private]
 

iterator ProtoMol::ArrayCellListStructure::myBegin [private]
 

const_iterator ProtoMol::ArrayCellListStructure::myBeginConst [private]
 

Vector3D ProtoMol::ArrayCellListStructure::myCellSize [private]
 

iterator ProtoMol::ArrayCellListStructure::myEnd [private]
 

const_iterator ProtoMol::ArrayCellListStructure::myEndConst [private]
 

int ProtoMol::ArrayCellListStructure::myMaxNX [private]
 

int ProtoMol::ArrayCellListStructure::myMaxNX1 [private]
 

int ProtoMol::ArrayCellListStructure::myMaxNY [private]
 

int ProtoMol::ArrayCellListStructure::myMaxNY1 [private]
 

int ProtoMol::ArrayCellListStructure::myMaxNZ [private]
 

int ProtoMol::ArrayCellListStructure::myMaxNZ1 [private]
 

int ProtoMol::ArrayCellListStructure::myNX [private]
 

int ProtoMol::ArrayCellListStructure::myNX1 [private]
 

int ProtoMol::ArrayCellListStructure::myNY [private]
 

int ProtoMol::ArrayCellListStructure::myNY1 [private]
 

int ProtoMol::ArrayCellListStructure::myNZ [private]
 

int ProtoMol::ArrayCellListStructure::myNZ1 [private]
 

size_type ProtoMol::ArrayCellListStructure::mySize [private]
 

bool ProtoMol::ArrayCellListStructure::valid
 

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