*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015, 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.
*
* The routines in the corresponding c-file tpxio.c
* are based on the lower level routines in gmxfio.c
- * The integer file pointer returned from open_tpx
- * can also be used with the routines in gmxfio.h
*
**************************************************************/
-#include "../legacyheaders/types/inputrec.h"
-#include "../legacyheaders/types/state.h"
-#include "gmxfio.h"
+#include "gromacs/legacyheaders/types/inputrec.h"
+#include "gromacs/legacyheaders/types/state.h"
#ifdef __cplusplus
extern "C" {
* These routines handle reading and writing of preprocessed
* topology files in any of the following formats:
* TPR : topology in XDR format, portable accross platforms
- * TRR : trajectory in XDR format (non compressed)
*
* Files are written in the precision with which the source are compiled,
* but double and single precision can be read by either.
*/
-t_fileio *open_tpx(const char *fn, const char *mode);
-/* Return an file pointer corresponding to the file you have just opened */
-
-void close_tpx(t_fileio *fio);
-/* Close the file corresponding to fio */
-
void read_tpxheader(const char *fn, t_tpxheader *tpx, gmx_bool TopOnlyOK,
int *version, int *generation);
/* Read the header from a tpx file and then close it again.
gmx_bool fn2bTPX(const char *file);
/* return if *file is one of the TPX file types */
-gmx_bool read_tps_conf(const char *infile, char *title, struct t_topology *top,
- int *ePBC, rvec **x, rvec **v, matrix box, gmx_bool bMass);
-/* Read title, top.atoms, x, v (if not NULL) and box from an STX file,
- * memory for atoms, x and v will be allocated.
- * Return TRUE if a complete topology was read.
- * If infile is a TPX file read the whole top,
- * else if bMass=TRUE, read the masses into top.atoms from the mass database.
- */
-
-void tpx_make_chain_identifiers(struct t_atoms *atoms, struct t_block *mols);
-
#ifdef __cplusplus
}
#endif