source: src/linkedcell.hpp@ 5f612ee

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Last change on this file since 5f612ee was ffe885, checked in by Frederik Heber <heber@…>, 15 years ago

BUGFIX: LinkedCell::GetPointsInsideSphere() did not work if center of sphere was outside of LinkedCell's domain.
  • Property mode set to 100644
File size: 2.4 KB
Line 
1/*
2 * linkedcell.hpp
3 *
4 * 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
5 * for molecule and atom classes.
6 *
7 * Created on: Aug 3, 2009
8 * Author: heber
9 */
10
11#ifndef LINKEDCELL_HPP_
12#define LINKEDCELL_HPP_
13
14using namespace std;
15
16/*********************************************** includes ***********************************/
17
18// include config.h
19#ifdef HAVE_CONFIG_H
20#include <config.h>
21#endif
22
23#include <list>
24
25#include "defs.hpp"
26#include "vector.hpp"
27
28/****************************************** forward declarations *****************************/
29
30class PointCloud;
31class TesselPoint;
32
33/********************************************** definitions *********************************/
34
35
36/********************************************** declarations *******************************/
37
38/** Linked Cell class for containing Vectors in real space efficiently.
39 */
40class LinkedCell {
41private:
42
43public:
44 typedef list<TesselPoint *> LinkedNodes;
45
46
47 Vector max; // upper boundary
48 Vector min; // lower boundary
49 LinkedNodes *LC; // linked cell list
50 double RADIUS; // cell edge length
51 int N[NDIM]; // number of cells per axis
52 mutable int n[NDIM]; // temporary variable for current cell per axis
53 mutable int index; // temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
54
55 LinkedCell();
56 LinkedCell(const PointCloud * const set, const double RADIUS);
57 LinkedCell(LinkedNodes *set, const double radius);
58 ~LinkedCell();
59 const LinkedCell::LinkedNodes* GetCurrentCell()const ;
60 const LinkedCell::LinkedNodes* GetRelativeToCurrentCell(const int relative[NDIM])const ;
61 bool SetIndexToNode(const TesselPoint * const Walker)const ;
62 bool SetIndexToVector(const Vector * const x)const ;
63 double SetClosestIndexToOutsideVector(const Vector * const x) const;
64 bool CheckBounds()const ;
65 bool CheckBounds(const int relative[NDIM])const ;
66 void GetNeighbourBounds(int lower[NDIM], int upper[NDIM], int step = 1)const ;
67
68 LinkedCell::LinkedNodes* GetallNeighbours(const double distance = 0) const;
69 LinkedCell::LinkedNodes* GetPointsInsideSphere(const double radius, const Vector * const center) const;
70 // not implemented yet
71 bool AddNode(Vector *Walker);
72 bool DeleteNode(Vector *Walker);
73 bool MoveNode(Vector *Walker);
74};
75
76#endif /*LINKEDCELL_HPP_*/
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