Voro++
|
Extension of the container_periodic_base class for computing radical Voronoi tessellations. More...
#include <container_prd.hh>
Public Member Functions | |
container_periodic_poly (double bx_, double bxy_, double by_, double bxz_, double byz_, double bz_, int nx_, int ny_, int nz_, int init_mem_) | |
void | clear () |
void | put (int n, double x, double y, double z, double r) |
void | put (int n, double x, double y, double z, double r, int &ai, int &aj, int &ak) |
void | put (particle_order &vo, int n, double x, double y, double z, double r) |
void | import (FILE *fp=stdin) |
void | import (particle_order &vo, FILE *fp=stdin) |
void | import (const char *filename) |
void | import (particle_order &vo, const char *filename) |
void | compute_all_cells () |
double | sum_cell_volumes () |
template<class c_loop > | |
void | draw_particles (c_loop &vl, FILE *fp) |
void | draw_particles (FILE *fp=stdout) |
void | draw_particles (const char *filename) |
template<class c_loop > | |
void | draw_particles_pov (c_loop &vl, FILE *fp) |
void | draw_particles_pov (FILE *fp=stdout) |
void | draw_particles_pov (const char *filename) |
template<class c_loop > | |
void | draw_cells_gnuplot (c_loop &vl, FILE *fp) |
void | draw_cells_gnuplot (FILE *fp=stdout) |
void | draw_cells_gnuplot (const char *filename) |
template<class c_loop > | |
void | draw_cells_pov (c_loop &vl, FILE *fp) |
void | draw_cells_pov (FILE *fp=stdout) |
void | draw_cells_pov (const char *filename) |
template<class c_loop > | |
void | print_custom (c_loop &vl, const char *format, FILE *fp) |
template<class v_cell , class c_loop > | |
bool | compute_cell (v_cell &c, c_loop &vl) |
template<class v_cell > | |
bool | compute_cell (v_cell &c, int ijk, int q) |
void | print_custom (const char *format, FILE *fp=stdout) |
void | print_custom (const char *format, const char *filename) |
bool | find_voronoi_cell (double x, double y, double z, double &rx, double &ry, double &rz, int &pid) |
Friends | |
class | voro_compute< container_periodic_poly > |
This class is an extension of container_periodic_base that has routines specifically for computing the radical Voronoi tessellation that depends on the particle radii.
Definition at line 418 of file container_prd.hh.
voro::container_periodic_poly::container_periodic_poly | ( | double | bx_, |
double | bxy_, | ||
double | by_, | ||
double | bxz_, | ||
double | byz_, | ||
double | bz_, | ||
int | nx_, | ||
int | ny_, | ||
int | nz_, | ||
int | init_mem_ | ||
) |
The class constructor sets up the geometry of container.
[in] | (bx_) | The x coordinate of the first unit vector. |
[in] | (bxy_,by_) | The x and y coordinates of the second unit vector. |
[in] | (bxz_,byz_,bz_) | The x, y, and z coordinates of the third unit vector. |
[in] | (nx_,ny_,nz_) | the number of grid blocks in each of the three coordinate directions. |
[in] | init_mem_ | the initial memory allocation for each block. |
Definition at line 83 of file container_prd.cc.
void voro::container_periodic_poly::clear | ( | ) |
Clears a container of particles, also clearing resetting the maximum radius to zero.
Definition at line 452 of file container_prd.cc.
void voro::container_periodic_poly::compute_all_cells | ( | ) |
Computes all of the Voronoi cells in the container, but does nothing with the output. It is useful for measuring the pure computation time of the Voronoi algorithm, without any additional calculations such as volume evaluation or cell output.
Definition at line 508 of file container_prd.cc.
bool voro::container_periodic_poly::compute_cell | ( | v_cell & | c, |
c_loop & | vl | ||
) | [inline] |
Computes the Voronoi cell for a particle currently being referenced by a loop class.
[out] | c | a Voronoi cell class in which to store the computed cell. |
[in] | vl | the loop class to use. |
Definition at line 593 of file container_prd.hh.
bool voro::container_periodic_poly::compute_cell | ( | v_cell & | c, |
int | ijk, | ||
int | q | ||
) | [inline] |
Computes the Voronoi cell for given particle.
[out] | c | a Voronoi cell class in which to store the computed cell. |
[in] | ijk | the block that the particle is within. |
[in] | q | the index of the particle within the block. |
Definition at line 605 of file container_prd.hh.
void voro::container_periodic_poly::draw_cells_gnuplot | ( | c_loop & | vl, |
FILE * | fp | ||
) | [inline] |
Computes Voronoi cells and saves the output in gnuplot format.
[in] | vl | the loop class to use. |
[in] | fp | a file handle to write to. |
Definition at line 512 of file container_prd.hh.
void voro::container_periodic_poly::draw_cells_gnuplot | ( | FILE * | fp = stdout | ) | [inline] |
Compute all Voronoi cells and saves the output in gnuplot format.
[in] | fp | a file handle to write to. |
Definition at line 522 of file container_prd.hh.
void voro::container_periodic_poly::draw_cells_gnuplot | ( | const char * | filename | ) | [inline] |
Compute all Voronoi cells and saves the output in gnuplot format.
[in] | filename | the name of the file to write to. |
Definition at line 529 of file container_prd.hh.
void voro::container_periodic_poly::draw_cells_pov | ( | c_loop & | vl, |
FILE * | fp | ||
) | [inline] |
Computes Voronoi cells and saves the output in POV-Ray format.
[in] | vl | the loop class to use. |
[in] | fp | a file handle to write to. |
Definition at line 539 of file container_prd.hh.
void voro::container_periodic_poly::draw_cells_pov | ( | FILE * | fp = stdout | ) | [inline] |
Computes all Voronoi cells and saves the output in POV-Ray format.
[in] | fp | a file handle to write to. |
Definition at line 550 of file container_prd.hh.
void voro::container_periodic_poly::draw_cells_pov | ( | const char * | filename | ) | [inline] |
Computes all Voronoi cells and saves the output in POV-Ray format.
[in] | filename | the name of the file to write to. |
Definition at line 557 of file container_prd.hh.
void voro::container_periodic_poly::draw_particles | ( | c_loop & | vl, |
FILE * | fp | ||
) | [inline] |
Dumps particle IDs, positions and radii to a file.
[in] | vl | the loop class to use. |
[in] | fp | a file handle to write to. |
Definition at line 460 of file container_prd.hh.
void voro::container_periodic_poly::draw_particles | ( | FILE * | fp = stdout | ) | [inline] |
Dumps all of the particle IDs, positions and radii to a file.
[in] | fp | a file handle to write to. |
Definition at line 470 of file container_prd.hh.
void voro::container_periodic_poly::draw_particles | ( | const char * | filename | ) | [inline] |
Dumps all of the particle IDs, positions and radii to a file.
[in] | filename | the name of the file to write to. |
Definition at line 477 of file container_prd.hh.
void voro::container_periodic_poly::draw_particles_pov | ( | c_loop & | vl, |
FILE * | fp | ||
) | [inline] |
Dumps particle positions in POV-Ray format.
[in] | vl | the loop class to use. |
[in] | fp | a file handle to write to. |
Definition at line 486 of file container_prd.hh.
void voro::container_periodic_poly::draw_particles_pov | ( | FILE * | fp = stdout | ) | [inline] |
Dumps all the particle positions in POV-Ray format.
[in] | fp | a file handle to write to. |
Definition at line 496 of file container_prd.hh.
void voro::container_periodic_poly::draw_particles_pov | ( | const char * | filename | ) | [inline] |
Dumps all the particle positions in POV-Ray format.
[in] | filename | the name of the file to write to. |
Definition at line 502 of file container_prd.hh.
bool voro::container_periodic_poly::find_voronoi_cell | ( | double | x, |
double | y, | ||
double | z, | ||
double & | rx, | ||
double & | ry, | ||
double & | rz, | ||
int & | pid | ||
) |
Takes a vector and finds the particle whose Voronoi cell contains that vector. Additional wall classes are not considered by this routine.
[in] | (x,y,z) | the vector to test. |
[out] | (rx,ry,rz) | the position of the particle whose Voronoi cell contains the vector. If the container is periodic, this may point to a particle in a periodic image of the primary domain. |
[out] | pid | the ID of the particle. |
Definition at line 329 of file container_prd.cc.
void voro::container_periodic_poly::import | ( | FILE * | fp = stdin | ) |
Import a list of particles from an open file stream into the container. Entries of five numbers (Particle ID, x position, y position, z position, radius) are searched for. If the file cannot be successfully read, then the routine causes a fatal error.
[in] | fp | the file handle to read from. |
Definition at line 417 of file container_prd.cc.
void voro::container_periodic_poly::import | ( | particle_order & | vo, |
FILE * | fp = stdin |
||
) |
Import a list of particles from an open file stream, also storing the order of that the particles are read. Entries of four numbers (Particle ID, x position, y position, z position, radius) are searched for. If the file cannot be successfully read, then the routine causes a fatal error.
[in,out] | vo | a reference to an ordering class to use. |
[in] | fp | the file handle to read from. |
Definition at line 430 of file container_prd.cc.
void voro::container_periodic_poly::import | ( | const char * | filename | ) | [inline] |
Imports a list of particles from an open file stream into the container_poly class. Entries of five numbers (Particle ID, x position, y position, z position, radius) are searched for. If the file cannot be successfully read, then the routine causes a fatal error.
[in] | filename | the name of the file to open and read from. |
Definition at line 435 of file container_prd.hh.
void voro::container_periodic_poly::import | ( | particle_order & | vo, |
const char * | filename | ||
) | [inline] |
Imports a list of particles from an open file stream into the container_poly class. Entries of five numbers (Particle ID, x position, y position, z position, radius) are searched for. In addition, the order in which particles are read is saved into an ordering class. If the file cannot be successfully read, then the routine causes a fatal error.
[in,out] | vo | the ordering class to use. |
[in] | filename | the name of the file to open and read from. |
Definition at line 449 of file container_prd.hh.
void voro::container_periodic_poly::print_custom | ( | c_loop & | vl, |
const char * | format, | ||
FILE * | fp | ||
) | [inline] |
Computes the Voronoi cells and saves customized information about them.
[in] | vl | the loop class to use. |
[in] | format | the custom output string to use. |
[in] | fp | a file handle to write to. |
Definition at line 568 of file container_prd.hh.
void voro::container_periodic_poly::print_custom | ( | const char * | format, |
FILE * | fp = stdout |
||
) |
Computes all the Voronoi cells and saves customized information about them.
[in] | format | the custom output string to use. |
[in] | fp | a file handle to write to. |
Definition at line 469 of file container_prd.cc.
void voro::container_periodic_poly::print_custom | ( | const char * | format, |
const char * | filename | ||
) |
Computes all the Voronoi cells and saves customized information about them
[in] | format | the custom output string to use. |
[in] | filename | the name of the file to write to. |
Definition at line 487 of file container_prd.cc.
void voro::container_periodic_poly::put | ( | int | n, |
double | x, | ||
double | y, | ||
double | z, | ||
double | r | ||
) |
Put a particle into the correct region of the container.
[in] | n | the numerical ID of the inserted particle. |
[in] | (x,y,z) | the position vector of the inserted particle. |
[in] | r | the radius of the particle. |
Definition at line 103 of file container_prd.cc.
void voro::container_periodic_poly::put | ( | int | n, |
double | x, | ||
double | y, | ||
double | z, | ||
double | r, | ||
int & | ai, | ||
int & | aj, | ||
int & | ak | ||
) |
Put a particle into the correct region of the container.
[in] | n | the numerical ID of the inserted particle. |
[in] | (x,y,z) | the position vector of the inserted particle. |
[in] | r | the radius of the particle. |
[out] | (ai,aj,ak) | the periodic image displacement that the particle is in, with (0,0,0) corresponding to the primary domain. |
Definition at line 133 of file container_prd.cc.
void voro::container_periodic_poly::put | ( | particle_order & | vo, |
int | n, | ||
double | x, | ||
double | y, | ||
double | z, | ||
double | r | ||
) |
Put a particle into the correct region of the container, also recording into which region it was stored.
[in] | vo | the ordering class in which to record the region. |
[in] | n | the numerical ID of the inserted particle. |
[in] | (x,y,z) | the position vector of the inserted particle. |
[in] | r | the radius of the particle. |
Definition at line 162 of file container_prd.cc.
double voro::container_periodic_poly::sum_cell_volumes | ( | ) |
Calculates all of the Voronoi cells and sums their volumes. In most cases without walls, the sum of the Voronoi cell volumes should equal the volume of the container to numerical precision.
Definition at line 530 of file container_prd.cc.