Voro++
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Extension of the container_base class for computing regular Voronoi tessellations. More...
#include <container.hh>
Public Member Functions | |
container (double ax_, double bx_, double ay_, double by_, double az_, double bz_, int nx_, int ny_, int nz_, bool xperiodic_, bool yperiodic_, bool zperiodic_, int init_mem) | |
void | clear () |
void | put (int n, double x, double y, double z) |
void | put (particle_order &vo, int n, double x, double y, double z) |
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) |
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) |
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) |
Friends | |
class | voro_compute< container > |
This class is an extension of the container_base class that has routines specifically for computing the regular Voronoi tessellation with no dependence on particle radii.
Definition at line 280 of file container.hh.
voro::container::container | ( | double | ax_, |
double | bx_, | ||
double | ay_, | ||
double | by_, | ||
double | az_, | ||
double | bz_, | ||
int | nx_, | ||
int | ny_, | ||
int | nz_, | ||
bool | xperiodic_, | ||
bool | yperiodic_, | ||
bool | zperiodic_, | ||
int | init_mem | ||
) |
The class constructor sets up the geometry of container.
[in] | (ax_,bx_) | the minimum and maximum x coordinates. |
[in] | (ay_,by_) | the minimum and maximum y coordinates. |
[in] | (az_,bz_) | the minimum and maximum z coordinates. |
[in] | (nx_,ny_,nz_) | the number of grid blocks in each of the three coordinate directions. |
[in] | (xperiodic_,yperiodic_,zperiodic_ | ) flags setting whether the container is periodic in each coordinate direction. |
[in] | init_mem | the initial memory allocation for each block. |
Definition at line 64 of file container.cc.
void voro::container::clear | ( | ) |
Clears a container of particles.
Definition at line 384 of file container.cc.
void voro::container::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 435 of file container.cc.
bool voro::container::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 455 of file container.hh.
bool voro::container::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 467 of file container.hh.
void voro::container::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 371 of file container.hh.
void voro::container::draw_cells_gnuplot | ( | FILE * | fp = stdout | ) | [inline] |
Computes all Voronoi cells and saves the output in gnuplot format.
[in] | fp | a file handle to write to. |
Definition at line 381 of file container.hh.
void voro::container::draw_cells_gnuplot | ( | const char * | filename | ) | [inline] |
Computes all Voronoi cells and saves the output in gnuplot format.
[in] | filename | the name of the file to write to. |
Definition at line 388 of file container.hh.
void voro::container::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 398 of file container.hh.
void voro::container::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 409 of file container.hh.
void voro::container::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 416 of file container.hh.
void voro::container::draw_particles | ( | c_loop & | vl, |
FILE * | fp | ||
) | [inline] |
Dumps particle IDs and positions to a file.
[in] | vl | the loop class to use. |
[in] | fp | a file handle to write to. |
Definition at line 321 of file container.hh.
void voro::container::draw_particles | ( | FILE * | fp = stdout | ) | [inline] |
Dumps all of the particle IDs and positions to a file.
[in] | fp | a file handle to write to. |
Definition at line 330 of file container.hh.
void voro::container::draw_particles | ( | const char * | filename | ) | [inline] |
Dumps all of the particle IDs and positions to a file.
[in] | filename | the name of the file to write to. |
Definition at line 336 of file container.hh.
void voro::container::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 345 of file container.hh.
void voro::container::draw_particles_pov | ( | FILE * | fp = stdout | ) | [inline] |
Dumps all particle positions in POV-Ray format.
[in] | fp | a file handle to write to. |
Definition at line 355 of file container.hh.
void voro::container::draw_particles_pov | ( | const char * | filename | ) | [inline] |
Dumps all particle positions in POV-Ray format.
[in] | filename | the name of the file to write to. |
Definition at line 361 of file container.hh.
bool voro::container::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. This is equivalent to finding the particle which is nearest to the 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 234 of file container.cc.
void voro::container::import | ( | FILE * | fp = stdin | ) |
Import a list of particles from an open file stream into the container. Entries of four numbers (Particle ID, x position, y position, z position) 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 330 of file container.cc.
void voro::container::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) 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 343 of file container.cc.
void voro::container::import | ( | const char * | filename | ) | [inline] |
Imports a list of particles from an open file stream into the container. Entries of four numbers (Particle ID, x position, y position, z position) 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 296 of file container.hh.
void voro::container::import | ( | particle_order & | vo, |
const char * | filename | ||
) | [inline] |
Imports a list of particles from an open file stream into the container. Entries of four numbers (Particle ID, x position, y position, z position) 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 310 of file container.hh.
void voro::container::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 427 of file container.hh.
void voro::container::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 398 of file container.cc.
void voro::container::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 415 of file container.cc.
void voro::container::put | ( | int | n, |
double | x, | ||
double | y, | ||
double | z | ||
) |
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. |
Definition at line 87 of file container.cc.
void voro::container::put | ( | particle_order & | vo, |
int | n, | ||
double | x, | ||
double | y, | ||
double | z | ||
) |
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. |
Definition at line 115 of file container.cc.
double voro::container::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 456 of file container.cc.