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xdrfile_xtc.h
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/* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-
*
* $Id$
*
* Copyright (c) 2009-2014, Erik Lindahl & David van der Spoel
* All rights reserved.
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer.
*
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
* AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
* IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
* FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
* DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
* SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
* CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
* OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
* OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#ifndef _xdrfile_xtc_h
#define _xdrfile_xtc_h
#ifdef __cplusplus
extern "C" {
#endif
#include "xdrfile.h"
/* All functions return exdrOK if succesfull.
* (error codes defined in xdrfile.h).
*/
/* This function returns the number of atoms in the xtc file in *natoms */
extern int read_xtc_natoms(char *fn,int *natoms);
/* Read one frame of an open xtc file */
extern int read_xtc(XDRFILE *xd,int natoms,int *step,float *time,
matrix box,rvec *x,float *prec);
/* Write a frame to xtc file */
extern int write_xtc(XDRFILE *xd,
int natoms,int step,float time,
matrix box,rvec *x,float prec);
#ifdef __cplusplus
}
#endif
#endif