1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
// Voro++, a 3D cell-based Voronoi library
//
// Author : Chris H. Rycroft (Harvard University / LBL)
// Email : chr@alum.mit.edu
// Date : August 30th 2011
/** \file rad_option.hh
* \brief Header file for the classes encapsulating functionality for the
* regular and radical Voronoi tessellations. */
#ifndef VOROPP_RAD_OPTION_HH
#define VOROPP_RAD_OPTION_HH
#include <cmath>
namespace voro {
/** \brief Class containing all of the routines that are specific to computing
* the regular Voronoi tessellation.
*
* The container and container_periodic classes are derived from this class,
* and during the Voronoi cell computation, these routines are used to create
* the regular Voronoi tessellation. */
class radius_mono {
protected:
/** This is called prior to computing a Voronoi cell for a
* given particle to initialize any required constants.
* \param[in] ijk the block that the particle is within.
* \param[in] s the index of the particle within the block. */
inline void r_init(int ijk,int s) {}
/** Sets a required constant to be used when carrying out a
* plane bounds check. */
inline void r_prime(double rv) {}
/** Carries out a radius bounds check.
* \param[in] crs the radius squared to be tested.
* \param[in] mrs the current maximum distance to a Voronoi
* vertex multiplied by two.
* \return True if particles at this radius could not possibly
* cut the cell, false otherwise. */
inline bool r_ctest(double crs,double mrs) {return crs>mrs;}
/** Scales a plane displacement during a plane bounds check.
* \param[in] lrs the plane displacement.
* \return The scaled value. */
inline double r_cutoff(double lrs) {return lrs;}
/** Adds the maximum radius squared to a given value.
* \param[in] rs the value to consider.
* \return The value with the radius squared added. */
inline double r_max_add(double rs) {return rs;}
/** Subtracts the radius squared of a particle from a given
* value.
* \param[in] rs the value to consider.
* \param[in] ijk the block that the particle is within.
* \param[in] q the index of the particle within the block.
* \return The value with the radius squared subtracted. */
inline double r_current_sub(double rs,int ijk,int q) {return rs;}
/** Scales a plane displacement prior to use in the plane cutting
* algorithm.
* \param[in] rs the initial plane displacement.
* \param[in] ijk the block that the particle is within.
* \param[in] q the index of the particle within the block.
* \return The scaled plane displacement. */
inline double r_scale(double rs,int ijk,int q) {return rs;}
/** Scales a plane displacement prior to use in the plane
* cutting algorithm, and also checks if it could possibly cut
* the cell.
* \param[in,out] rs the plane displacement to be scaled.
* \param[in] mrs the current maximum distance to a Voronoi
* vertex multiplied by two.
* \param[in] ijk the block that the particle is within.
* \param[in] q the index of the particle within the block.
* \return True if the cell could possibly cut the cell, false
* otherwise. */
inline bool r_scale_check(double &rs,double mrs,int ijk,int q) {return rs<mrs;}
};
/** \brief Class containing all of the routines that are specific to computing
* the radical Voronoi tessellation.
*
* The container_poly and container_periodic_poly classes are derived from this
* class, and during the Voronoi cell computation, these routines are used to
* create the radical Voronoi tessellation. */
class radius_poly {
public:
/** A two-dimensional array holding particle positions and radii. */
double **ppr;
/** The current maximum radius of any particle, used to
* determine when to cut off the radical Voronoi computation.
* */
double max_radius;
/** The class constructor sets the maximum particle radius to
* be zero. */
radius_poly() : max_radius(0) {}
protected:
/** This is called prior to computing a Voronoi cell for a
* given particle to initialize any required constants.
* \param[in] ijk the block that the particle is within.
* \param[in] s the index of the particle within the block. */
inline void r_init(int ijk,int s) {
r_rad=ppr[ijk][4*s+3]*ppr[ijk][4*s+3];
r_mul=r_rad-max_radius*max_radius;
}
/** Sets a required constant to be used when carrying out a
* plane bounds check. */
inline void r_prime(double rv) {r_val=1+r_mul/rv;}
/** Carries out a radius bounds check.
* \param[in] crs the radius squared to be tested.
* \param[in] mrs the current maximum distance to a Voronoi
* vertex multiplied by two.
* \return True if particles at this radius could not possibly
* cut the cell, false otherwise. */
inline bool r_ctest(double crs,double mrs) {return crs+r_mul>sqrt(mrs*crs);}
/** Scales a plane displacement during a plane bounds check.
* \param[in] lrs the plane displacement.
* \return The scaled value. */
inline double r_cutoff(double lrs) {return lrs*r_val;}
/** Adds the maximum radius squared to a given value.
* \param[in] rs the value to consider.
* \return The value with the radius squared added. */
inline double r_max_add(double rs) {return rs+max_radius*max_radius;}
/** Subtracts the radius squared of a particle from a given
* value.
* \param[in] rs the value to consider.
* \param[in] ijk the block that the particle is within.
* \param[in] q the index of the particle within the block.
* \return The value with the radius squared subtracted. */
inline double r_current_sub(double rs,int ijk,int q) {
return rs-ppr[ijk][4*q+3]*ppr[ijk][4*q+3];
}
/** Scales a plane displacement prior to use in the plane cutting
* algorithm.
* \param[in] rs the initial plane displacement.
* \param[in] ijk the block that the particle is within.
* \param[in] q the index of the particle within the block.
* \return The scaled plane displacement. */
inline double r_scale(double rs,int ijk,int q) {
return rs+r_rad-ppr[ijk][4*q+3]*ppr[ijk][4*q+3];
}
/** Scales a plane displacement prior to use in the plane
* cutting algorithm, and also checks if it could possibly cut
* the cell.
* \param[in,out] rs the plane displacement to be scaled.
* \param[in] mrs the current maximum distance to a Voronoi
* vertex multiplied by two.
* \param[in] ijk the block that the particle is within.
* \param[in] q the index of the particle within the block.
* \return True if the cell could possibly cut the cell, false
* otherwise. */
inline bool r_scale_check(double &rs,double mrs,int ijk,int q) {
double trs=rs;
rs+=r_rad-ppr[ijk][4*q+3]*ppr[ijk][4*q+3];
return rs<sqrt(mrs*trs);
}
private:
double r_rad,r_mul,r_val;
};
}
#endif