include/xdrfile_trr.h

   1 /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-
   2  *
   3  * $Id$
   4  *
   5  * Copyright (c) Erik Lindahl, David van der Spoel 2003,2004.
   6  * Coordinate compression (c) by Frans van Hoesel.
   7  *
   8  * This program is free software; you can redistribute it and/or
   9  * modify it under the terms of the GNU Lesser General Public License
  10  * as published by the Free Software Foundation; either version 3
  11  * of the License, or (at your option) any later version.
  12  */
  13
  14 #ifndef _xdrfile_trr_h
  15 #define _xdrfile_trr_h
  16
  17 #ifdef __cplusplus
  18 extern "C" {
  19 #endif
  20
  21 #include "xdrfile.h"
  22
  23   /* All functions return exdrOK if succesfull.
  24    * (error codes defined in xdrfile.h).
  25    */
  26
  27   /* This function returns the number of atoms in the xtc file in *natoms */
  28   extern int read_trr_natoms(char *fn,int *natoms);
  29
  30   /* Read one frame of an open xtc file. If either of x,v,f,box are
  31      NULL the arrays will be read from the file but not used.  */
  32   extern int read_trr(XDRFILE *xd,int natoms,int *step,float *t,float *lambda,
  33                       matrix box,rvec *x,rvec *v,rvec *f);
  34
  35   /* Write a frame to xtc file */
  36   extern int write_trr(XDRFILE *xd,int natoms,int step,float t,float lambda,
  37                        matrix box,rvec *x,rvec *v,rvec *f);
  38
  39
  40 #ifdef __cplusplus
  41 }
  42 #endif
  43
  44 #endif