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