include/types/graph.h

   1 /*
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   9  *                        VERSION 3.2.0
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  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
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  15  * This program is free software; you can redistribute it and/or
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  35 #ifdef HAVE_CONFIG_H
  36 #include <config.h>
  37 #endif
  38
  39 #ifdef __cplusplus
  40 extern "C" {
  41 #endif
  42
  43
  44 typedef enum { egcolWhite, egcolGrey, egcolBlack, egcolNR } egCol;
  45
  46 typedef struct {
  47   int      nnodes;      /* The number of nodes                          */
  48   int      nbound;      /* The number of nodes with edges               */
  49   int      start;       /* The first atom in this graph                 */
  50   int      end;         /* The last atom in this graph                  */
  51   int      *nedge;      /* For each node the number of edges            */
  52   atom_id  **edge;      /* For each node, the actual edges (bidirect.)  */
  53   bool     bScrewPBC;   /* Screw boundary conditions                    */
  54   ivec     *ishift;     /* Shift for each particle                      */
  55   int      negc;
  56   egCol   *egc;         /* color of each node */
  57 } t_graph;
  58
  59
  60 #define SHIFT_IVEC(g,i) ((g)->ishift[(i)-(g)->start])
  61
  62 #ifdef __cplusplus
  63 }
  64 #endif
  65