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