/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, 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.
#ifndef GMX_FILEIO_TNGIO_H
#define GMX_FILEIO_TNGIO_H
-#include "gromacs/legacyheaders/typedefs.h"
-#include "../../external/tng_io/include/tng_io_fwd.h"
+#include "external/tng_io/include/tng_io_fwd.h"
+
+#include "gromacs/legacyheaders/types/inputrec.h"
+#include "gromacs/math/vectypes.h"
+#include "gromacs/utility/real.h"
#ifdef __cplusplus
extern "C" {
}
#endif
+struct gmx_mtop_t;
+
/*! \brief Open a TNG trajectory file
*
* \param filename Name of file to open
* \param tng Valid handle to a TNG trajectory
* \param mtop Pointer to a topology (can be NULL)
*/
-void gmx_tng_add_mtop(tng_trajectory_t tng,
- const gmx_mtop_t *mtop);
+void gmx_tng_add_mtop(tng_trajectory_t tng,
+ const struct gmx_mtop_t *mtop);
/*! \brief Do all TNG preparation for full-precision whole-system
* trajectory writing during MD simulations.
* \param mtop Global topology
* \param ir Input settings (for writing frequencies)
*/
-void gmx_tng_prepare_md_writing(tng_trajectory_t tng,
- const gmx_mtop_t *mtop,
- const t_inputrec *ir);
+void gmx_tng_prepare_md_writing(tng_trajectory_t tng,
+ const struct gmx_mtop_t *mtop,
+ const t_inputrec *ir);
/*! \brief Set the default compression precision for TNG writing
*
* \param mtop Global topology
* \param ir Input settings (for writing frequencies)
*/
-void gmx_tng_prepare_low_prec_writing(tng_trajectory_t tng,
- const gmx_mtop_t *mtop,
- const t_inputrec *ir);
+void gmx_tng_prepare_low_prec_writing(tng_trajectory_t tng,
+ const struct gmx_mtop_t *mtop,
+ const t_inputrec *ir);
/*! \brief Write a frame to a TNG file
*