source: molecuilder/src/linkedcell.hpp@ 9bb477

/*
 * linkedcell.hpp
 *
 *  If the linked cell should be usable, the class has to inherit LCNodeSet and the nodes (containing the Vectors) have to inherit LCNode. This works well
 *  for molecule and atom classes.
 *
 *  Created on: Aug 3, 2009
 *      Author: heber
 */

#ifndef LINKEDCELL_HPP_
#define LINKEDCELL_HPP_

using namespace std;

/*********************************************** includes ***********************************/

// include config.h
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

#include <list>

#include "defs.hpp"
#include "vector.hpp"

/****************************************** forward declarations *****************************/

class PointCloud;
class TesselPoint;

/********************************************** definitions *********************************/


/********************************************** declarations *******************************/

/** Linked Cell class for containing Vectors in real space efficiently.
 */
class LinkedCell {
private:

public:
  typedef list<TesselPoint *> LinkedNodes;


    Vector max;       // upper boundary
    Vector min;       // lower boundary
    LinkedNodes *LC;  // linked cell list
    double RADIUS;    // cell edge length
    int N[NDIM];      // number of cells per axis
    mutable int n[NDIM];      // temporary variable for current cell per axis
    mutable int index;        // temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];

    LinkedCell();
    LinkedCell(const  PointCloud * const set, const double RADIUS);
    LinkedCell(LinkedNodes *set, const double radius);
    ~LinkedCell();
    const LinkedCell::LinkedNodes* GetCurrentCell()const ;
    const LinkedCell::LinkedNodes* GetRelativeToCurrentCell(const int relative[NDIM])const ;
    bool SetIndexToNode(const TesselPoint * const Walker)const ;
    bool SetIndexToVector(const Vector * const x)const ;
    double SetClosestIndexToOutsideVector(const Vector * const x) const;
    bool CheckBounds()const ;
    bool CheckBounds(const int relative[NDIM])const ;
    void GetNeighbourBounds(int lower[NDIM], int upper[NDIM], int step = 1)const ;

    LinkedCell::LinkedNodes* GetallNeighbours(const double distance = 0) const;
    LinkedCell::LinkedNodes* GetPointsInsideSphere(const double radius, const Vector * const center) const;
    // not implemented yet
    bool AddNode(Vector *Walker);
    bool DeleteNode(Vector *Walker);
    bool MoveNode(Vector *Walker);
};

#endif /*LINKEDCELL_HPP_*/