include/types/graph.h

   1 /*
   2  *
   3  *                This source code is part of
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   6  *
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   9  *                        VERSION 3.2.0
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  35
  36 #include "idef.h"
  37
  38 #ifdef __cplusplus
  39 extern "C" {
  40 #endif
  41
  42
  43 typedef enum { egcolWhite, egcolGrey, egcolBlack, egcolNR } egCol;
  44
  45 typedef struct {
  46   int      nnodes;      /* The number of nodes                          */
  47   int      nbound;      /* The number of nodes with edges               */
  48   int      start;       /* The first atom in this graph                 */
  49   int      end;         /* The last atom in this graph                  */
  50   int      *nedge;      /* For each node the number of edges            */
  51   atom_id  **edge;      /* For each node, the actual edges (bidirect.)  */
  52   gmx_bool     bScrewPBC;   /* Screw boundary conditions                    */
  53   ivec     *ishift;     /* Shift for each particle                      */
  54   int      negc;
  55   egCol   *egc;         /* color of each node */
  56 } t_graph;
  57
  58
  59 #define SHIFT_IVEC(g,i) ((g)->ishift[(i)-(g)->start])
  60
  61 #ifdef __cplusplus
  62 }
  63 #endif
  64