include/types/graph.h

   1 /*
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   9  *                        VERSION 3.2.0
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  35
  36 #ifndef _types_graph_h
  37 #define _types_graph_h
  38
  39 #include "idef.h"
  40
  41 #ifdef __cplusplus
  42 extern "C" {
  43 #endif
  44
  45
  46 typedef enum { egcolWhite, egcolGrey, egcolBlack, egcolNR } egCol;
  47
  48 typedef struct {
  49   int      nnodes;      /* The number of nodes, nnodes=at_end-at_start  */
  50   int      nbound;      /* The number of nodes with edges               */
  51   int      natoms;      /* Total range for this graph: 0 to natoms      */
  52   int      at_start;    /* The first connected atom in this graph       */
  53   int      at_end;      /* The last+1 connected atom in this graph      */
  54   int      *nedge;      /* For each node the number of edges            */
  55   atom_id  **edge;      /* For each node, the actual edges (bidirect.)  */
  56   gmx_bool     bScrewPBC;   /* Screw boundary conditions                    */
  57   ivec     *ishift;     /* Shift for each particle                      */
  58   int      negc;
  59   egCol   *egc;         /* color of each node */
  60 } t_graph;
  61
  62
  63 #define SHIFT_IVEC(g,i) ((g)->ishift[i])
  64
  65 #ifdef __cplusplus
  66 }
  67 #endif
  68
  69 #endif /* _types_graph_h */