include/xdrfile_trr.h

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  36
  37 #ifndef _xdrfile_trr_h
  38 #define _xdrfile_trr_h
  39
  40 #ifdef CPLUSPLUS
  41 extern "C" {
  42 #endif
  43
  44 #include "xdrfile.h"
  45
  46   /* All functions return exdrOK if succesfull.
  47    * (error codes defined in xdrfile.h).
  48    */
  49
  50   /* This function returns the number of atoms in the xtc file in *natoms */
  51   extern int read_trr_natoms(char *fn,int *natoms);
  52
  53   /* Read one frame of an open xtc file. If either of x,v,f,box are
  54      NULL the arrays will be read from the file but not used.  */
  55   extern int read_trr(XDRFILE *xd,int natoms,int *step,float *t,float *lambda,
  56                       matrix box,rvec *x,rvec *v,rvec *f);
  57
  58   /* Write a frame to xtc file */
  59   extern int write_trr(XDRFILE *xd,int natoms,int step,float t,float lambda,
  60                        matrix box,rvec *x,rvec *v,rvec *f);
  61
  62
  63 #ifdef CPLUSPLUS
  64 }
  65 #endif
  66
  67 #endif