source: molecuilder/src/linkedcell.hpp@ 6250e5

Last change on this file since 6250e5 was a9b2a0a, checked in by Frederik Heber <heber@…>, 16 years ago

Huge refactoring to make const what is const (ticket #38), continued.

  • too many changes because of too many cross-references to be able to list them up here.
  • NOTE that "make check" runs fine and did catch several error.
  • note that we had to use const_iterator several times when the map, ... was declared const.
  • at times we changed an allocated LinkedCell LCList(...) into

const LinkedCell *LCList;
LCList = new LinkedCell(...);

  • also mutable (see ticket #5) was used, e.g. for molecule::InternalPointer (PointCloud changes are allowed, because they are just accounting).

Signed-off-by: Frederik Heber <heber@…>
  • Property mode set to 100644
File size: 2.1 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#define LinkedNodes list<TesselPoint *>
36
37/********************************************** declarations *******************************/
38
39/** Linked Cell class for containing Vectors in real space efficiently.
40 */
41class LinkedCell {
42 public:
43 Vector max; // upper boundary
44 Vector min; // lower boundary
45 LinkedNodes *LC; // linked cell list
46 double RADIUS; // cell edge length
47 int N[NDIM]; // number of cells per axis
48 mutable int n[NDIM]; // temporary variable for current cell per axis
49 mutable int index; // temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
50
51 LinkedCell();
52 LinkedCell(const PointCloud * const set, const double RADIUS);
53 LinkedCell(LinkedNodes *set, const double radius);
54 ~LinkedCell();
55 const LinkedNodes* GetCurrentCell()const ;
56 const LinkedNodes* GetRelativeToCurrentCell(const int relative[NDIM])const ;
57 bool SetIndexToNode(const TesselPoint * const Walker)const ;
58 bool SetIndexToVector(const Vector * const x)const ;
59 bool CheckBounds()const ;
60 bool CheckBounds(const int relative[NDIM])const ;
61 void GetNeighbourBounds(int lower[NDIM], int upper[NDIM])const ;
62
63 // not implemented yet
64 bool AddNode(Vector *Walker);
65 bool DeleteNode(Vector *Walker);
66 bool MoveNode(Vector *Walker);
67};
68
69#endif /*LINKEDCELL_HPP_*/
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