/*
 * This file is part of the GROMACS molecular simulation package.
 *
 * Copyright 2005- The GROMACS Authors
 * and the project initiators Erik Lindahl, Berk Hess and David van der Spoel.
 * Consult the AUTHORS/COPYING files and https://www.gromacs.org for details.
 *
 * 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
 * https://www.gnu.org/licenses, or write to the Free Software Foundation,
 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
 *
 * If you want to redistribute modifications to GROMACS, please
 * consider that scientific software is very special. Version
 * control is crucial - bugs must be traceable. We will be happy to
 * consider code for inclusion in the official distribution, but
 * derived work must not be called official GROMACS. Details are found
 * in the README & COPYING files - if they are missing, get the
 * official version at https://www.gromacs.org.
 *
 * To help us fund GROMACS development, we humbly ask that you cite
 * the research papers on the package. Check out https://www.gromacs.org.
 */
#ifndef GMX_FILEIO_ESPIO_H
#define GMX_FILEIO_ESPIO_H

#include <cstdio>

#include <filesystem>

#include "gromacs/math/vectypes.h"

struct t_atoms;
struct t_symtab;

void gmx_espresso_read_conf(const std::filesystem::path& infile,
                            t_symtab*                    symtab,
                            char**                       name,
                            t_atoms*                     atoms,
                            rvec                         x[],
                            rvec*                        v,
                            matrix                       box);
/* If name is not nullptr, gmx_strdup the title string into
 * it. Reading a title from espresso format is not , so this will
 * always be an empty string. */

int get_espresso_coordnum(const std::filesystem::path& infile);

void write_espresso_conf_indexed(FILE*          out,
                                 const char*    title,
                                 const t_atoms* atoms,
                                 int            nx,
                                 const int*     index,
                                 const rvec*    x,
                                 const rvec*    v,
                                 const matrix   box);

#endif
