branches/exact/src/config.hh

   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 config.hh
   8  * \brief Master configuration file for setting various compile-time options. */
   9
  10 #ifndef VOROPP_CONFIG_HH
  11 #define VOROPP_CONFIG_HH
  12
  13 namespace voro {
  14
  15 // These constants set the initial memory allocation for the Voronoi cell
  16 /** The initial memory allocation for the number of vertices. */
  17 const int init_vertices=256;
  18 /** The initial memory allocation for the maximum vertex order. */
  19 const int init_vertex_order=64;
  20 /** The initial memory allocation for the number of regular vertices of order
  21  * 3. */
  22 const int init_3_vertices=256;
  23 /** The initial memory allocation for the number of vertices of higher order.
  24  */
  25 const int init_n_vertices=8;
  26 /** The initial buffer size for marginal cases used by the suretest class. */
  27 const int init_marginal=64;
  28 /** The initial size for the delete stack. */
  29 const int init_delete_size=256;
  30 /** The initial size for the auxiliary delete stack. */
  31 const int init_delete2_size=256;
  32 /** The initial size for the wall pointer array. */
  33 const int init_wall_size=32;
  34 /** The default initial size for the ordering class. */
  35 const int init_ordering_size=4096;
  36 /** The initial size of the pre_container chunk index. */
  37 const int init_chunk_size=256;
  38
  39 // If the initial memory is too small, the program dynamically allocates more.
  40 // However, if the limits below are reached, then the program bails out.
  41 /** The maximum memory allocation for the number of vertices. */
  42 const int max_vertices=16777216;
  43 /** The maximum memory allocation for the maximum vertex order. */
  44 const int max_vertex_order=2048;
  45 /** The maximum memory allocation for the any particular order of vertex. */
  46 const int max_n_vertices=16777216;
  47 /** The maximum buffer size for marginal cases used by the suretest class. */
  48 const int max_marginal=16777216;
  49 /** The maximum size for the delete stack. */
  50 const int max_delete_size=16777216;
  51 /** The maximum size for the auxiliary delete stack. */
  52 const int max_delete2_size=16777216;
  53 /** The maximum amount of particle memory allocated for a single region. */
  54 const int max_particle_memory=16777216;
  55 /** The maximum size for the wall pointer array. */
  56 const int max_wall_size=2048;
  57 /** The maximum size for the ordering class. */
  58 const int max_ordering_size=67108864;
  59 /** The maximum size for the pre_container chunk index. */
  60 const int max_chunk_size=65536;
  61
  62 /** The chunk size in the pre_container classes. */
  63 const int pre_container_chunk_size=1024;
  64
  65 #ifndef VOROPP_VERBOSE
  66 /** Voro++ can print a number of different status and debugging messages to
  67  * notify the user of special behavior, and this macro sets the amount which
  68  * are displayed. At level 0, no messages are printed. At level 1, messages
  69  * about unusual cases during cell construction are printed, such as when the
  70  * plane routine bails out due to floating point problems. At level 2, general
  71  * messages about memory expansion are printed. At level 3, technical details
  72  * about memory management are printed. */
  73 #define VOROPP_VERBOSE 0
  74 #endif
  75
  76 /** If a point is within this distance of a cutting plane, then the code
  77  * assumes that point exactly lies on the plane. */
  78 const double tolerance=1e-11;
  79
  80 /** If a point is within this distance of a cutting plane, then the code stores
  81  * whether this point is inside, outside, or exactly on the cutting plane in
  82  * the marginal cases buffer, to prevent the test giving a different result on
  83  * a subsequent evaluation due to floating point rounding errors. */
  84 const double tolerance2=2e-11;
  85
  86 /** The square of the tolerance, used when deciding whether some squared
  87  * quantities are large enough to be used. */
  88 const double tolerance_sq=tolerance*tolerance;
  89
  90 /** A large number that is used in the computation. */
  91 const double large_number=1e30;
  92
  93 /** A radius to use as a placeholder when no other information is available. */
  94 const double default_radius=0.5;
  95
  96 /** The maximum number of shells of periodic images to test over. */
  97 const int max_unit_voro_shells=10;
  98
  99 /** A guess for the optimal number of particles per block, used to set up the
 100  * container grid. */
 101 const double optimal_particles=5.6;
 102
 103 /** If this is set to 1, then the code reports any instances of particles being
 104  * put outside of the container geometry. */
 105 #define VOROPP_REPORT_OUT_OF_BOUNDS 0
 106
 107 /** Voro++ returns this status code if there is a file-related error, such as
 108  * not being able to open file. */
 109 #define VOROPP_FILE_ERROR 1
 110
 111 /** Voro++ returns this status code if there is a memory allocation error, if
 112  * one of the safe memory limits is exceeded. */
 113 #define VOROPP_MEMORY_ERROR 2
 114
 115 /** Voro++ returns this status code if there is any type of internal error, if
 116  * it detects that representation of the Voronoi cell is inconsistent. This
 117  * status code will generally indicate a bug, and the developer should be
 118  * contacted. */
 119 #define VOROPP_INTERNAL_ERROR 3
 120
 121 /** Voro++ returns this status code if it could not interpret the command line
 122  * arguments passed to the command line utility. */
 123 #define VOROPP_CMD_LINE_ERROR 4
 124
 125 }
 126
 127 #endif