source: src/Box.hpp@ 50e4e5

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Last change on this file since 50e4e5 was 025048, checked in by Frederik Heber <heber@…>, 13 years ago

Enhanced Box::periodicDistanceSquared() by an internal_explode().

  • internal_explode() works on an static internal VECTORSET(list) such that there is no need for repeated memory allocation/deallocation for said list.
  • Property mode set to 100644
File size: 3.4 KB
Line 
1/*
2 * Box.hpp
3 *
4 * Created on: Jun 30, 2010
5 * Author: crueger
6 */
7
8#ifndef BOX_HPP_
9#define BOX_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16
17class RealSpaceMatrix;
18class Vector;
19class Shape;
20class Plane;
21
22#include <list>
23#include <vector>
24#include "LinearAlgebra/VectorSet.hpp"
25
26/**
27 * A simple class that can be used to store periodic Boxes
28 * in the form of a parallelepiped.
29 *
30 * Stores a matrix that can be used to translate from periodic
31 * [0,1) space as well as the inverse that is needed to
32 * translate back to that space.
33 */
34class Box
35{
36public:
37 typedef enum{
38 Wrap,
39 Bounce,
40 Ignore
41 } BoundaryCondition_t;
42
43 typedef vector<BoundaryCondition_t> Conditions_t;
44
45 Box();
46 Box(const Box&);
47 Box(RealSpaceMatrix _M);
48 virtual ~Box();
49
50 /**
51 * Get the matrix describing the form of the parallelepiped
52 */
53 const RealSpaceMatrix &getM() const;
54
55 /**
56 * Get the inverse of the matrix M (see above).
57 */
58 const RealSpaceMatrix &getMinv() const;
59
60 /**
61 * Set the form of the parallelepiped.
62 */
63 void setM(RealSpaceMatrix);
64
65 Box &operator=(const Box&);
66 Box &operator=(const RealSpaceMatrix&);
67
68 /**
69 * Translate a point from [0,1) to the boxed space.
70 */
71 Vector translateIn(const Vector &point) const;
72
73 /**
74 * Translate a point from the boxed space to the [0,1) space.
75 */
76 Vector translateOut(const Vector &point) const;
77
78 /**
79 * Wrap a point so that it will lie within the space defined by the box.
80 */
81 Vector WrapPeriodically(const Vector &point) const;
82
83 /**
84 * Checks whether a given vector is inside the box.
85 */
86 bool isInside(const Vector &point) const;
87
88 /**
89 * Produce corresponding points in several adjacent boxes.
90 *
91 * n specifies the number of times the point is expanded.
92 * Carefull, needs O(n^3) time and produces as many vectors.
93 */
94 VECTORSET(std::list) explode(const Vector &point,int n) const;
95 VECTORSET(std::list) explode(const Vector &point) const;
96
97 /**
98 * Calculate the distance of two points in the periodic space
99 * defined by this box
100 */
101 double periodicDistanceSquared(const Vector &point1,const Vector &point2) const;
102
103 /**
104 * Calculate the distance of two points in the periodic space
105 * defined by this box
106 */
107 double periodicDistance(const Vector &point1,const Vector &point2) const;
108
109 /**
110 * Calculates the minimum distance to the boundary of the periodic
111 * space defined by this box.
112 */
113 double DistanceToBoundary(const Vector &point) const;
114
115 Shape getShape() const;
116 const Conditions_t getConditions() const;
117 void setCondition(int,BoundaryCondition_t);
118
119 const vector<pair<Plane,Plane> > getBoundingPlanes() const;
120
121 void setCuboid(const Vector&);
122
123private:
124 /** Internal explode function that works on the staticly present internal_list
125 *
126 * \todo Note that is not thread-safe!
127 *
128 * Most of the time of explode is consumed by memory allocation if it is called
129 * repeatedly.
130 *
131 * @param point point to explode
132 * @param n neighbour shells to explode
133 */
134 void internal_explode(const Vector &point,int n) const;
135
136 //!> Internal vector list for exploding vectors and checking.
137 static VECTORSET(std::list) internal_list;
138
139 Conditions_t conditions;
140 RealSpaceMatrix *M; //!< Defines the layout of the box
141 RealSpaceMatrix *Minv; //!< Inverse of M to avoid recomputation
142};
143
144ostream & operator << (ostream& ost, const Box &m);
145
146#endif /* BOX_HPP_ */
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