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lammps/lib/voronoi/src/rad_option.hh
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// Voro++, a 3D cell-based Voronoi library
//
// Author : Chris H. Rycroft (LBL / UC Berkeley)
// 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
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