Move read_tps_conf() to confio.h

[alexxy/gromacs.git] / src / gromacs / fileio / tpxio.h

diff --git a/src/gromacs/fileio/tpxio.h b/src/gromacs/fileio/tpxio.h
index 50f6a7b7a7a9d1586c4f6777e2a69cebd4052f76..cec32f10f22ad86fb7bcda2db2b1506caf8d6ce1 100644 (file)
--- a/src/gromacs/fileio/tpxio.h
+++ b/src/gromacs/fileio/tpxio.h
@@ -3,7 +3,7 @@
  *
  * 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.
@@ -43,19 +43,20 @@
  *
  * 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 "../legacyheaders/types/topology.h"
-#include "gmxfio.h"
+#include "gromacs/legacyheaders/types/inputrec.h"
+#include "gromacs/legacyheaders/types/state.h"
 
 #ifdef __cplusplus
 extern "C" {
 #endif
 
+struct gmx_mtop_t;
+struct t_atoms;
+struct t_block;
+struct t_topology;
+
 typedef struct
 {
     int   bIr;       /* Non zero if input_rec is present               */
@@ -81,21 +82,11 @@ typedef struct
  * These routines handle reading and writing of preprocessed
  * topology files in any of the following formats:
  * TPR : topology in XDR format, portable accross platforms
- * TPB : binary topology, not portable accross platforms
- * TPA : ascii topology (possibbly huge)
- * TRR : trajectory in XDR format (non compressed)
- * TRJ : trajectory in binary format
  *
  * 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.
@@ -109,44 +100,29 @@ void read_tpxheader(const char *fn, t_tpxheader *tpx, gmx_bool TopOnlyOK,
  */
 
 void write_tpx_state(const char *fn,
-                     t_inputrec *ir, t_state *state, gmx_mtop_t *mtop);
+                     t_inputrec *ir, t_state *state, struct gmx_mtop_t *mtop);
 /* Write a file, and close it again.
- * If fn == NULL, an efTPA file will be written to stdout (which
- * will not be closed afterwards)
  */
 
 void read_tpx_state(const char *fn,
                     t_inputrec *ir, t_state *state, rvec *f,
-                    gmx_mtop_t *mtop);
+                    struct gmx_mtop_t *mtop);
 int read_tpx(const char *fn,
              t_inputrec *ir, matrix box, int *natoms,
-             rvec *x, rvec *v, rvec *f, gmx_mtop_t *mtop);
+             rvec *x, rvec *v, rvec *f, struct gmx_mtop_t *mtop);
 /* Read a file, and close it again.
- * If fn == NULL, an efTPA file will be read from stdin (which
- * will not be closed afterwards)
  * When step, t or lambda are NULL they will not be stored.
  * Returns ir->ePBC, if it could be read from the file.
  */
 
 int read_tpx_top(const char *fn,
                  t_inputrec *ir, matrix box, int *natoms,
-                 rvec *x, rvec *v, rvec *f, t_topology *top);
+                 rvec *x, rvec *v, rvec *f, struct t_topology *top);
 /* As read_tpx, but for the old t_topology struct */
 
 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, 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(t_atoms *atoms, t_block *mols);
-
 #ifdef __cplusplus
 }
 #endif