include/xdrfile_xtc.h

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  36
  37 #ifndef _xdrfile_xtc_h
  38 #define _xdrfile_xtc_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_xtc_natoms(char *fn,int *natoms);
  52
  53   /* Read one frame of an open xtc file */
  54   extern int read_xtc(XDRFILE *xd,int natoms,int *step,float *time,
  55                       matrix box,rvec *x,float *prec);
  56
  57   /* Write a frame to xtc file */
  58   extern int write_xtc(XDRFILE *xd,
  59                        int natoms,int step,float time,
  60                        matrix box,rvec *x,float prec);
  61
  62 #ifdef CPLUSPLUS
  63 }
  64 #endif
  65
  66 #endif