voro Namespace Reference

Classes
class	c_loop_all
	Class for looping over all of the particles in a container. More...
class	c_loop_all_periodic
	A class for looping over all particles in a container_periodic or container_periodic_poly class. More...
class	c_loop_base
	Base class for looping over particles in a container. More...
class	c_loop_block_range
	Class for looping over the particles in a range of blocks within a container. More...
class	c_loop_order
	Class for looping over all of the particles specified in a pre-assembled particle_order class. More...
class	c_loop_order_periodic
	Class for looping over all of the particles specified in a pre-assembled particle_order class, for use with container_periodic classes. More...
class	c_loop_subset
	Class for looping over a subset of particles in a container. More...
class	container
	Extension of the container_base class for computing regular Voronoi tessellations. More...
class	container_base
	Class for representing a particle system in a three-dimensional rectangular box. More...
class	container_poly
	Extension of the container_base class for computing radical Voronoi tessellations. More...
class	particle_order
	A class for storing ordering information when particles are added to a container. More...
struct	particle_record
	Structure for holding information about a particle. More...
class	pre_container
	A class for storing an arbitrary number of particles without radius information, prior to setting up a container geometry. More...
class	pre_container_base
	A class for storing an arbitrary number of particles, prior to setting up a container geometry. More...
class	pre_container_poly
	A class for storing an arbitrary number of particles with radius information, prior to setting up a container geometry. More...
class	radius_mono
	Class containing all of the routines that are specific to computing the regular Voronoi tessellation. More...
class	radius_poly
	Class containing all of the routines that are specific to computing the radical Voronoi tessellation. More...
class	unitcell
	Class for computation of the unit Voronoi cell associated with a 3D non-rectangular periodic domain. More...
class	voro_base
	Class containing data structures common across all particle container classes. More...
class	voro_compute
	Template for carrying out Voronoi cell computations. More...
class	voronoicell
	Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information. More...
class	voronoicell_base
	A class representing a single Voronoi cell. More...
class	voronoicell_neighbor
	Extension of the voronoicell_base class to represent a Voronoi cell with neighbor information. More...
class	wall
	Pure virtual class from which wall objects are derived. More...
struct	wall_cone
	A class representing a conical wall object. More...
struct	wall_cylinder
	A class representing a cylindrical wall object. More...
class	wall_list
	A class for storing a list of pointers to walls. More...
struct	wall_plane
	A class representing a plane wall object. More...
struct	wall_sphere
	A class representing a spherical wall object. More...

Enumerations
enum	c_loop_subset_mode { sphere , box , no_check }

Functions
void	voro_fatal_error (const char *p, int status)
	Function for printing fatal error messages and exiting.
void	guess_optimal (int siteCount, double sizeX, double sizeY, double sizeZ, int &nx, int &ny, int &nz)

Variables
const int	init_vertices =256
const int	init_vertex_order =64
const int	init_3_vertices =256
const int	init_n_vertices =8
const int	init_marginal =64
const int	init_delete_size =256
const int	init_delete2_size =256
const int	init_wall_size =32
const int	init_ordering_size =4096
const int	init_chunk_size =256
const int	max_vertices =16777216
const int	max_vertex_order =16777216
const int	max_n_vertices =16777216
const int	max_marginal =16777216
const int	max_delete_size =16777216
const int	max_delete2_size =16777216
const int	max_particle_memory =16777216
const int	max_wall_size =2048
const int	max_ordering_size =67108864
const int	max_chunk_size =65536
const int	pre_container_chunk_size =1024
const double	tolerance =1e-11
const double	tolerance2 =2e-11
const double	tolerance_sq =tolerance*tolerance
const double	large_number =1e30
const double	default_radius =0.5
const int	max_unit_voro_shells =10
const double	optimal_particles =5.6
const int	wl_hgrid =4
const int	wl_fgrid =8
const int	wl_hgridcu =64
const int	wl_seq_length =64

Enumeration Type Documentation

c_loop_subset_mode

enum voro::c_loop_subset_mode

A type associated with a c_loop_subset class, determining what type of geometrical region to loop over.

Enumerator
sphere
box
no_check

Function Documentation

guess_optimal()

void voro::guess_optimal	(	int	siteCount,
		double	sizeX,
		double	sizeY,
		double	sizeZ,
		int &	nx,
		int &	ny,
		int &	nz
	)

voro_fatal_error()

void voro::voro_fatal_error ( const char *  p, int  status  )

inline

Function for printing fatal error messages and exiting.

Function for printing fatal error messages and exiting.

Parameters

[in]	p	a pointer to the message to print.
[in]	status	the status code to return with.

Variable Documentation

default_radius

const double voro::default_radius =0.5

A radius to use as a placeholder when no other information is available.

init_3_vertices

const int voro::init_3_vertices =256

The initial memory allocation for the number of regular vertices of order

init_chunk_size

const int voro::init_chunk_size =256

The initial size of the pre_container chunk index.

init_delete2_size

const int voro::init_delete2_size =256

The initial size for the auxiliary delete stack.

init_delete_size

const int voro::init_delete_size =256

The initial size for the delete stack.

init_marginal

const int voro::init_marginal =64

The initial buffer size for marginal cases used by the suretest class.

init_n_vertices

const int voro::init_n_vertices =8

The initial memory allocation for the number of vertices of higher order.

init_ordering_size

const int voro::init_ordering_size =4096

The default initial size for the ordering class.

init_vertex_order

const int voro::init_vertex_order =64

The initial memory allocation for the maximum vertex order.

init_vertices

const int voro::init_vertices =256

The initial memory allocation for the number of vertices.

init_wall_size

const int voro::init_wall_size =32

The initial size for the wall pointer array.

large_number

const double voro::large_number =1e30

A large number that is used in the computation.

max_chunk_size

const int voro::max_chunk_size =65536

The maximum size for the pre_container chunk index.

max_delete2_size

const int voro::max_delete2_size =16777216

The maximum size for the auxiliary delete stack.

max_delete_size

const int voro::max_delete_size =16777216

The maximum size for the delete stack.

max_marginal

const int voro::max_marginal =16777216

The maximum buffer size for marginal cases used by the suretest class.

max_n_vertices

const int voro::max_n_vertices =16777216

The maximum memory allocation for the any particular order of vertex.

max_ordering_size

const int voro::max_ordering_size =67108864

The maximum size for the ordering class.

max_particle_memory

const int voro::max_particle_memory =16777216

The maximum amount of particle memory allocated for a single region.

max_unit_voro_shells

const int voro::max_unit_voro_shells =10

The maximum number of shells of periodic images to test over.

max_vertex_order

const int voro::max_vertex_order =16777216

The maximum memory allocation for the maximum vertex order.

max_vertices

const int voro::max_vertices =16777216

The maximum memory allocation for the number of vertices.

max_wall_size

const int voro::max_wall_size =2048

The maximum size for the wall pointer array.

optimal_particles

const double voro::optimal_particles =5.6

A guess for the optimal number of particles per block, used to set up the container grid.

pre_container_chunk_size

const int voro::pre_container_chunk_size =1024

The chunk size in the pre_container classes.

tolerance

const double voro::tolerance =1e-11

If a point is within this distance of a cutting plane, then the code assumes that point exactly lies on the plane.

tolerance2

const double voro::tolerance2 =2e-11

If a point is within this distance of a cutting plane, then the code stores whether this point is inside, outside, or exactly on the cutting plane in the marginal cases buffer, to prevent the test giving a different result on a subsequent evaluation due to floating point rounding errors.

tolerance_sq

const double voro::tolerance_sq =tolerance*tolerance

The square of the tolerance, used when deciding whether some squared quantities are large enough to be used.

wl_fgrid

const int voro::wl_fgrid =8

The number of subregions that a block is subdivided into, which is twice the value of hgrid.

wl_hgrid

const int voro::wl_hgrid =4

Each region is divided into a grid of subregions, and a worklist is

constructed for each. This parameter sets is set to half the number of

subregions that the block is divided into.

wl_hgridcu

const int voro::wl_hgridcu =64

The total number of worklists, set to the cube of hgrid.

wl_seq_length

const int voro::wl_seq_length =64

The number of elements in each worklist.