include/topsort.h

   1 #ifndef _topsort_h
   2 #define _topsort_h
   3
   4 #ifdef HAVE_CONFIG_H
   5 #include <config.h>
   6 #endif
   7
   8 #ifdef CPLUSPLUS
   9 extern "C" {
  10 #endif
  11
  12 #include "typedefs.h"
  13
  14   /* Returns if the are bonded interactions for free energy calculations */
  15   extern bool gmx_mtop_bondeds_free_energy(gmx_mtop_t *mtop);
  16
  17   /* Sort all the bonded ilists in idef to have the perturbed ones at the end
  18    * and set nr_nr_nonperturbed in ilist.
  19    */
  20   extern void gmx_sort_ilist_fe(t_idef *idef);
  21
  22 #ifdef CPLUSPLUS
  23 }
  24 #endif
  25
  26 #endif