Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / legacyheaders / types / graph.h

diff --git a/src/gromacs/legacyheaders/types/graph.h b/src/gromacs/legacyheaders/types/graph.h
index 24ecf8e2f1fa81c0e13f0a4949fdfc2dd32cdcc5..5bcc17b72f4b0335779d69da443844c4157abb1c 100644 (file)
--- a/src/gromacs/legacyheaders/types/graph.h
+++ b/src/gromacs/legacyheaders/types/graph.h
@@ -46,9 +46,10 @@ extern "C" {
 typedef enum { egcolWhite, egcolGrey, egcolBlack, egcolNR } egCol;
 
 typedef struct {
+  int      at0;     /* The first atom the graph was constructed for */
+  int      at1;     /* The last atom the graph was constructed for */
   int      nnodes;     /* The number of nodes, nnodes=at_end-at_start  */
   int      nbound;     /* The number of nodes with edges               */
-  int      natoms;      /* Total range for this graph: 0 to natoms      */
   int      at_start;   /* The first connected atom in this graph       */
   int      at_end;     /* The last+1 connected atom in this graph      */
   int      *nedge;     /* For each node the number of edges            */