source: src/LinkedCell/LinkedCell_View.cpp@ 8c31865

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Last change on this file since 8c31865 was 53d894, checked in by Frederik Heber <heber@…>, 13 years ago

Changed LinkedCell_Model::getNeighborhoodBounds() and LinkedCell_View::getAllNeighbors().

  • NeighborhoodBounds are now index and offset style, not two real bounds anymore. This way we were able to get getAllNeighbors() actually working.
  • getNeighborhoodBounds() was overloaded nonsense for Bounce case, it is now much simpler: we just crop the interval at the boundary.
  • Property mode set to 100644
File size: 2.6 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2011 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * LinkedCell_View.cpp
10 *
11 * Created on: Nov 15, 2011
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "CodePatterns/MemDebug.hpp"
21
22#include "LinkedCell_View.hpp"
23
24#include "CodePatterns/Log.hpp"
25
26#include "Atom/TesselPoint.hpp"
27#include "LinearAlgebra/Vector.hpp"
28#include "LinkedCell.hpp"
29#include "LinkedCell_Model.hpp"
30#include "tripleIndex.hpp"
31
32using namespace LinkedCell;
33
34LinkedCell_View::LinkedCell_View(const LinkedCell_Model &_LC) :
35 LC(_LC)
36{}
37
38LinkedCell_View::~LinkedCell_View()
39{
40}
41
42
43/** Return at least as many points as are inside a sphere of \a radius around \a center.
44 *
45 * \sa LinkedCell_View::getPointsInsideSphere()
46 *
47 * @param radius radius of sphere
48 * @param center center of sphere
49 * @return a list containing at least all points inside described sphere
50 */
51LinkedList LinkedCell_View::getAllNeighbors(const double radius, const Vector &center) const
52{
53 LinkedList TesselList; // we do not need a set, as nodes are uniquely associated to a cell.
54
55 // get relative bounds
56 const tripleIndex step = LC.getStep(radius);
57 const tripleIndex index = LC.getIndexToVector(center);
58 LinkedCell_Model::LinkedCellNeighborhoodBounds neighbors =
59 LC.getNeighborhoodBounds(index, step);
60
61 tripleIndex n;
62 for (n[0] = 0; n[0] < neighbors.second[0]; n[0]++)
63 for (n[1] = 0; n[1] < neighbors.second[1]; n[1]++)
64 for (n[2] = 0; n[2] < neighbors.second[2]; n[2]++) {
65 tripleIndex absolute_n = neighbors.first + n;
66 if (!LC.checkArrayBounds(absolute_n))
67 LC.applyBoundaryConditions(absolute_n);
68 const LinkedCell &List = LC.getCell(absolute_n);
69 LOG(1, "Current cell is " << neighbors.first << " plus " << n << ", yielding " << absolute_n << ".");
70 for (LinkedCell::const_iterator Runner = List.begin(); Runner != List.end(); Runner++)
71 TesselList.push_back(*Runner);
72 }
73 return TesselList;
74}
75
76LinkedList LinkedCell_View::getPointsInsideSphere(const double radius, const Vector &center) const
77{
78 // get overly much points
79 const LinkedList TesselList = getAllNeighbors(radius, center);
80 LinkedList ReturnList;
81
82 // remove all unnecessary ones
83 for (LinkedList::const_iterator iter = TesselList.begin(); iter != TesselList.end(); ++iter) {
84 if (center.DistanceSquared((*iter)->getPosition()) <= radius*radius)
85 ReturnList.push_back(*iter);
86 }
87
88 return ReturnList;
89}
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