Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / mdlib / adress.h

diff --git a/src/gromacs/mdlib/adress.h b/src/gromacs/mdlib/adress.h
index 083646a7e1c53e52f73d0dc5832f2ef0eb024406..a25514d8b18e6c0b70129568f550e7203fa28a20 100644 (file)
--- a/src/gromacs/mdlib/adress.h
+++ b/src/gromacs/mdlib/adress.h
@@ -2,7 +2,7 @@
  * This file is part of the GROMACS molecular simulation package.
  *
  * Copyright (c) 2009 Christoph Junghans, Brad Lambeth.
- * Copyright (c) 2011, by the GROMACS development team, led by
+ * Copyright (c) 2011,2014, 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.
@@ -33,18 +33,21 @@
  * To help us fund GROMACS development, we humbly ask that you cite
  * the research papers on the package. Check out http://www.gromacs.org.
  */
-
+/*! \internal \file
+ * \brief Implementation of the AdResS method.
+ */
 #ifndef _adress_h_
 #define _adress_h_
 
-/** \file adress.h
- *
- * \brief Implementation of the AdResS method
- *
- */
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/types/simple.h"
 
-#include "types/simple.h"
-#include "typedefs.h"
+#ifdef __cplusplus
+extern "C"
+{
+#endif
+
+struct t_pbc;
 
 /** \brief calculates the AdResS weight of a particle
  *
@@ -72,7 +75,7 @@ adress_weight(rvec                 x,
               real                 adressr,
               real                 adressw,
               rvec     *           ref,
-              t_pbc     *          pbc,
+              struct t_pbc     *   pbc,
               t_forcerec *         fr);
 
 /** \brief update the weight of all coarse-grained particles in several charge groups for com vsites
@@ -94,7 +97,7 @@ update_adress_weights_com(FILE *               fplog,
                           rvec                 x[],
                           t_forcerec *         fr,
                           t_mdatoms *          mdatoms,
-                          t_pbc *              pbc);
+                          struct t_pbc *       pbc);
 
 /** \brief update the weight of all coarse-grained particles for cog vsites
  *
@@ -111,7 +114,7 @@ update_adress_weights_cog(t_iparams            ip[],
                           rvec                 x[],
                           t_forcerec *         fr,
                           t_mdatoms *          mdatoms,
-                          t_pbc *              pbc);
+                          struct t_pbc *       pbc);
 
 /** \brief update the weight of all coarse-grained particles in several charge groups for atom vsites
  *
@@ -130,7 +133,7 @@ update_adress_weights_atom(int                  cg0,
                            rvec                 x[],
                            t_forcerec *         fr,
                            t_mdatoms *          mdatoms,
-                           t_pbc *              pbc);
+                           struct t_pbc *       pbc);
 
 /** \brief update the weight on per atom basis of all coarse-grained particles in several charge groups for atom vsites
  *
@@ -149,7 +152,7 @@ update_adress_weights_atom_per_atom(int                  cg0,
                                     rvec                 x[],
                                     t_forcerec *         fr,
                                     t_mdatoms *          mdatoms,
-                                    t_pbc *              pbc);
+                                    struct t_pbc *       pbc);
 
 /** \brief add AdResS IC thermodynamic force to f_novirsum
  *
@@ -170,7 +173,7 @@ adress_thermo_force(int                  cg0,
                     rvec                 f[],
                     t_forcerec *         fr,
                     t_mdatoms *          mdatoms,
-                    t_pbc *              pbc);
+                    struct t_pbc *       pbc);
 
 
 /** \brief checks weather a cpu calculates only coarse-grained or explicit interactions
@@ -195,4 +198,9 @@ gmx_bool egp_explicit(t_forcerec *   fr, int egp_nr);
  * \return boolean if coarse-grained or not
  */
 gmx_bool egp_coarsegrained(t_forcerec *   fr, int egp_nr);
+
+#ifdef __cplusplus
+}
+#endif
+
 #endif