Sort all includes in src/gromacs

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

diff --git a/src/gromacs/fileio/trx.h b/src/gromacs/fileio/trx.h
index 3a0727b18a9db569ae3ff0d85bb4b88e3518c895..9e551b5405c2f48a16b99182e77061140f3a0ddd 100644 (file)
--- a/src/gromacs/fileio/trx.h
+++ b/src/gromacs/fileio/trx.h
@@ -2,8 +2,8 @@
  * This file is part of the GROMACS molecular simulation package.
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2004, The GROMACS development team,
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2001-2004, The GROMACS development team.
+ * 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.
@@ -43,15 +43,19 @@
 #ifndef GMX_FILEIO_TRX_H
 #define GMX_FILEIO_TRX_H
 
-#include "../legacyheaders/types/atoms.h"
+#include "gromacs/math/vectypes.h"
+#include "gromacs/utility/basedefinitions.h"
+#include "gromacs/utility/real.h"
 
 #ifdef __cplusplus
 extern "C" {
 #endif
 
+struct t_atoms;
+
 typedef struct gmxvmdplugin t_gmxvmdplugin;
 
-typedef struct trxframe
+typedef struct t_trxframe
 {
     int      flags;            /* flags for read_first/next_frame  */
     int      not_ok;           /* integrity flags                  */
@@ -59,6 +63,7 @@ typedef struct trxframe
     int      natoms;           /* number of atoms (atoms, x, v, f) */
     real     t0;               /* time of the first frame, needed  *
                                 * for skipping frames with -dt     */
+    real     tf;               /* internal frame time - DO NOT CHANGE */
     real     tpf;              /* time of the previous frame, not  */
                                /* the read, but real file frames   */
     real     tppf;             /* time of two frames ago           */
@@ -75,7 +80,7 @@ typedef struct trxframe
     real            lambda;    /* free energy perturbation lambda  */
     int             fep_state; /* which fep state are we in? */
     gmx_bool        bAtoms;
-    t_atoms        *atoms;     /* atoms struct (natoms)            */
+    struct t_atoms *atoms;     /* atoms struct (natoms)            */
     gmx_bool        bPrec;
     real            prec;      /* precision of x, fraction of 1 nm */
     gmx_bool        bX;