struct t_nextnb
{
- int nr; /* nr atoms (0 <= i < nr) (atoms->nr) */
- int nrex; /* with nrex lists of neighbours */
+ int nr; /* nr atoms (0 <= i < nr) (atoms->nr) */
+ int nrex; /* with nrex lists of neighbours */
/* respectively containing zeroth, first */
/* second etc. neigbours (0 <= nre < nrex) */
- int **nrexcl; /* with (0 <= nrx < nrexcl[i][nre]) neigbours */
+ int** nrexcl; /* with (0 <= nrx < nrexcl[i][nre]) neigbours */
/* per list stored in one 2d array of lists */
- int ***a; /* like this: a[i][nre][nrx] */
+ int*** a; /* like this: a[i][nre][nrx] */
};
-void init_nnb(t_nextnb *nnb, int nr, int nrex);
+void init_nnb(t_nextnb* nnb, int nr, int nrex);
/* Initiate the arrays for nnb (see above) */
-void done_nnb(t_nextnb *nnb);
+void done_nnb(t_nextnb* nnb);
/* Cleanup the nnb struct */
#ifdef DEBUG_NNB
-#define print_nnb(nnb, s) __print_nnb(nnb, s)
-void print_nnb(t_nextnb *nnb, char *s);
+# define print_nnb(nnb, s) __print_nnb(nnb, s)
+void print_nnb(t_nextnb* nnb, char* s);
/* Print the nnb struct */
#else
-#define print_nnb(nnb, s)
+# define print_nnb(nnb, s)
#endif
-void gen_nnb(t_nextnb *nnb, gmx::ArrayRef<InteractionsOfType> plist);
+void gen_nnb(t_nextnb* nnb, gmx::ArrayRef<InteractionsOfType> plist);
/* Generate a t_nextnb structure from bond information.
* With the structure you can either generate exclusions
* or generate angles and dihedrals. The structure must be
* initiated using init_nnb.
*/
-void generate_excl(int nrexcl, int nratoms,
- gmx::ArrayRef<InteractionsOfType> plist,
- t_blocka *excl);
+void generate_excl(int nrexcl, int nratoms, gmx::ArrayRef<InteractionsOfType> plist, t_blocka* excl);
/* Generate an exclusion block from bonds and constraints in
* plist.
*/