Remove .tpa, .tpb, .tpx, .trj files. Part of #1500.

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

diff --git a/src/gromacs/fileio/tpxio.h b/src/gromacs/fileio/tpxio.h
index 50f6a7b7a7a9d1586c4f6777e2a69cebd4052f76..433742fdcdafa5b470f26005591e0d44aa5e7446 100644 (file)
--- a/src/gromacs/fileio/tpxio.h
+++ b/src/gromacs/fileio/tpxio.h
@@ -49,13 +49,17 @@
  **************************************************************/
 #include "../legacyheaders/types/inputrec.h"
 #include "../legacyheaders/types/state.h"
-#include "../legacyheaders/types/topology.h"
 #include "gmxfio.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               */
@@ -81,10 +85,7 @@ 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.
@@ -109,34 +110,30 @@ 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,
+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.
@@ -145,7 +142,7 @@ gmx_bool read_tps_conf(const char *infile, char *title, t_topology *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);
+void tpx_make_chain_identifiers(struct t_atoms *atoms, struct t_block *mols);
 
 #ifdef __cplusplus
 }