Voro++
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00001 // Voro++, a 3D cell-based Voronoi library 00002 // 00003 // Author : Chris H. Rycroft (LBL / UC Berkeley) 00004 // Email : chr@alum.mit.edu 00005 // Date : August 30th 2011 00006 00007 /** \file config.hh 00008 * \brief Master configuration file for setting various compile-time options. */ 00009 00010 #ifndef VOROPP_CONFIG_HH 00011 #define VOROPP_CONFIG_HH 00012 00013 namespace voro { 00014 00015 // These constants set the initial memory allocation for the Voronoi cell 00016 /** The initial memory allocation for the number of vertices. */ 00017 const int init_vertices=256; 00018 /** The initial memory allocation for the maximum vertex order. */ 00019 const int init_vertex_order=64; 00020 /** The initial memory allocation for the number of regular vertices of order 00021 * 3. */ 00022 const int init_3_vertices=256; 00023 /** The initial memory allocation for the number of vertices of higher order. 00024 */ 00025 const int init_n_vertices=8; 00026 /** The initial buffer size for marginal cases used by the suretest class. */ 00027 const int init_marginal=64; 00028 /** The initial size for the delete stack. */ 00029 const int init_delete_size=256; 00030 /** The initial size for the auxiliary delete stack. */ 00031 const int init_delete2_size=256; 00032 /** The initial size for the wall pointer array. */ 00033 const int init_wall_size=32; 00034 /** The default initial size for the ordering class. */ 00035 const int init_ordering_size=4096; 00036 /** The initial size of the pre_container chunk index. */ 00037 const int init_chunk_size=256; 00038 00039 // If the initial memory is too small, the program dynamically allocates more. 00040 // However, if the limits below are reached, then the program bails out. 00041 /** The maximum memory allocation for the number of vertices. */ 00042 const int max_vertices=16777216; 00043 /** The maximum memory allocation for the maximum vertex order. */ 00044 const int max_vertex_order=2048; 00045 /** The maximum memory allocation for the any particular order of vertex. */ 00046 const int max_n_vertices=16777216; 00047 /** The maximum buffer size for marginal cases used by the suretest class. */ 00048 const int max_marginal=16777216; 00049 /** The maximum size for the delete stack. */ 00050 const int max_delete_size=16777216; 00051 /** The maximum size for the auxiliary delete stack. */ 00052 const int max_delete2_size=16777216; 00053 /** The maximum amount of particle memory allocated for a single region. */ 00054 const int max_particle_memory=16777216; 00055 /** The maximum size for the wall pointer array. */ 00056 const int max_wall_size=2048; 00057 /** The maximum size for the ordering class. */ 00058 const int max_ordering_size=67108864; 00059 /** The maximum size for the pre_container chunk index. */ 00060 const int max_chunk_size=65536; 00061 00062 /** The chunk size in the pre_container classes. */ 00063 const int pre_container_chunk_size=1024; 00064 00065 #ifndef VOROPP_VERBOSE 00066 /** Voro++ can print a number of different status and debugging messages to 00067 * notify the user of special behavior, and this macro sets the amount which 00068 * are displayed. At level 0, no messages are printed. At level 1, messages 00069 * about unusual cases during cell construction are printed, such as when the 00070 * plane routine bails out due to floating point problems. At level 2, general 00071 * messages about memory expansion are printed. At level 3, technical details 00072 * about memory management are printed. */ 00073 #define VOROPP_VERBOSE 0 00074 #endif 00075 00076 /** If a point is within this distance of a cutting plane, then the code 00077 * assumes that point exactly lies on the plane. */ 00078 const double tolerance=1e-11; 00079 00080 /** If a point is within this distance of a cutting plane, then the code stores 00081 * whether this point is inside, outside, or exactly on the cutting plane in 00082 * the marginal cases buffer, to prevent the test giving a different result on 00083 * a subsequent evaluation due to floating point rounding errors. */ 00084 const double tolerance2=2e-11; 00085 00086 /** The square of the tolerance, used when deciding whether some squared 00087 * quantities are large enough to be used. */ 00088 const double tolerance_sq=tolerance*tolerance; 00089 00090 /** A large number that is used in the computation. */ 00091 const double large_number=1e30; 00092 00093 /** A radius to use as a placeholder when no other information is available. */ 00094 const double default_radius=0.5; 00095 00096 /** The maximum number of shells of periodic images to test over. */ 00097 const int max_unit_voro_shells=10; 00098 00099 /** A guess for the optimal number of particles per block, used to set up the 00100 * container grid. */ 00101 const double optimal_particles=5.6; 00102 00103 /** If this is set to 1, then the code reports any instances of particles being 00104 * put outside of the container geometry. */ 00105 #define VOROPP_REPORT_OUT_OF_BOUNDS 0 00106 00107 /** Voro++ returns this status code if there is a file-related error, such as 00108 * not being able to open file. */ 00109 #define VOROPP_FILE_ERROR 1 00110 00111 /** Voro++ returns this status code if there is a memory allocation error, if 00112 * one of the safe memory limits is exceeded. */ 00113 #define VOROPP_MEMORY_ERROR 2 00114 00115 /** Voro++ returns this status code if there is any type of internal error, if 00116 * it detects that representation of the Voronoi cell is inconsistent. This 00117 * status code will generally indicate a bug, and the developer should be 00118 * contacted. */ 00119 #define VOROPP_INTERNAL_ERROR 3 00120 00121 /** Voro++ returns this status code if it could not interpret the command line 00122 * arguments passed to the command line utility. */ 00123 #define VOROPP_CMD_LINE_ERROR 4 00124 00125 } 00126 00127 #endif