src/gromacs/legacyheaders/typedefs.h

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  37
  38 #ifndef _typedefs_h
  39 #define _typedefs_h
  40
  41
  42 /* DEPRECATED! value for signaling unitialized variables */
  43 //#define NOTSET -12345
  44
  45 #include "gromacs/legacyheaders/types/state.h"
  46 #include "gromacs/topology/topology.h"
  47
  48 struct t_inputrec;
  49
  50 #ifdef __cplusplus
  51 extern "C" {
  52 #endif
  53
  54 int gmx_int64_to_int(gmx_int64_t step, const char *warn);
  55 /* Convert a gmx_int64_t value to int.
  56  * If warn!=NULL a warning message will be written
  57  * to stderr when step does not fit in an int,
  58  * the first line is:
  59  * "WARNING during %s:", where warn is printed in %s.
  60  */
  61
  62 /* Functions to initiate and delete structures *
  63  * These functions are defined in gmxlib/typedefs.c
  64  */
  65 void init_gtc_state(t_state *state, int ngtc, int nnhpres, int nhchainlength);
  66 void init_state(t_state *state, int natoms, int ngtc, int nnhpres, int nhchainlength, int nlambda);
  67 t_state *serial_init_local_state(t_state *state_global);
  68 void done_state(t_state *state);
  69
  70 #ifdef __cplusplus
  71 }
  72 #endif
  73
  74
  75 #endif  /* _typedefs_h */