Voro++: rad_option.hh Source File

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