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/*
 * This file is part of the GROMACS molecular simulation package.
 *
 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
 * Copyright (c) 2001-2004, The GROMACS development team.
 * Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
 * and including many others, as listed in the AUTHORS file in the
 * top-level source directory and at http://www.gromacs.org.
 *
 * GROMACS is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 *
 * GROMACS is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
 * Lesser General Public License for more details.
 *
 * You should have received a copy of the GNU Lesser General Public
 * License along with GROMACS; if not, see
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 * official version at http://www.gromacs.org.
 *
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 */

#ifndef GMX_FILEIO_XTCIO_H
#define GMX_FILEIO_XTCIO_H

#include "gromacs/math/vectypes.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"

#ifdef __cplusplus
extern "C" {
#endif

struct t_fileio;

/* All functions return 1 if successful, 0 otherwise
 * bOK tells if a frame is not corrupted
 */

/* Note that XTC was implemented to use xdr_int for the step number,
 * which is defined by the standard to be signed and 32 bit. We didn't
 * design the format to be extensible, so we can't fix the fact that
 * after 2^31 frames, step numbers will wrap to be
 * negative. Fortunately, this tends not to cause serious problems,
 * and we've fixed it in TNG. */

struct t_fileio *open_xtc(const char *filename, const char *mode);
/* Open a file for xdr I/O */

void close_xtc(struct t_fileio *fio);
/* Close the file for xdr I/O */

int read_first_xtc(struct t_fileio *fio,
                   int *natoms, gmx_int64_t *step, real *time,
                   matrix box, rvec **x, real *prec, gmx_bool *bOK);
/* Open xtc file, read xtc file first time, allocate memory for x */

int read_next_xtc(struct t_fileio *fio,
                  int natoms, gmx_int64_t *step, real *time,
                  matrix box, rvec *x, real *prec, gmx_bool *bOK);
/* Read subsequent frames */

int write_xtc(struct t_fileio *fio,
              int natoms, gmx_int64_t step, real time,
              const rvec *box, const rvec *x, real prec);
/* Write a frame to xtc file */

#ifdef __cplusplus
}
#endif

#endif