Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / gen_vsite.h

diff --git a/src/gromacs/gmxpreprocess/gen_vsite.h b/src/gromacs/gmxpreprocess/gen_vsite.h
index 74e437ef2b80c578be98a237ae9e1ed2a35f3af2..6a350ef7093b373f8e8eded985adee4b06f76078 100644 (file)
--- a/src/gromacs/gmxpreprocess/gen_vsite.h
+++ b/src/gromacs/gmxpreprocess/gen_vsite.h
@@ -1,55 +1,66 @@
 /*
- * 
- *                This source code is part of
- * 
- *                 G   R   O   M   A   C   S
- * 
- *          GROningen MAchine for Chemical Simulations
- * 
- *                        VERSION 3.2.0
- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
+ * 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,
- * check out http://www.gromacs.org for more information.
-
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
+ * 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.
+ *
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
  * of the License, or (at your option) any later version.
- * 
- * If you want to redistribute modifications, please consider that
- * scientific software is very special. Version control is crucial -
- * bugs must be traceable. We will be happy to consider code for
- * inclusion in the official distribution, but derived work must not
- * be called official GROMACS. Details are found in the README & COPYING
- * files - if they are missing, get the official version at www.gromacs.org.
- * 
+ *
+ * GROMACS is distributed in the hope that it will be useful,
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+ *
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+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
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+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
+ *
  * To help us fund GROMACS development, we humbly ask that you cite
- * the papers on the package - you can find them in the top README file.
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- * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
+ * the research papers on the package. Check out http://www.gromacs.org.
  */
 
-#ifndef _gen_vsite_h
-#define _gen_vsite_h
+#ifndef GMX_GMXPREPROCESS_GEN_VSITE_H
+#define GMX_GMXPREPROCESS_GEN_VSITE_H
+
+#include "gromacs/gmxpreprocess/gpp_atomtype.h"
+#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/hackblock.h"
+#include "gromacs/legacyheaders/typedefs.h"
 
-#include "typedefs.h"
-#include "grompp.h"
-#include "gpp_atomtype.h"
-#include "hackblock.h"
+#ifdef __cplusplus
+extern "C"
+{
+#endif
 
 /* stuff for pdb2gmx */
 
-extern void do_vsites(int nrtp, t_restp rtp[], gpp_atomtype_t atype, 
-                     t_atoms *at, t_symtab *symtab, rvec *x[], 
-                     t_params plist[], int *dummy_type[], int *cgnr[], 
-                     real mHmult, gmx_bool bVSiteAromatics,
-                     const char *ffdir);
+void do_vsites(int nrtp, t_restp rtp[], gpp_atomtype_t atype,
+               t_atoms *at, struct t_symtab *symtab, rvec *x[],
+               t_params plist[], int *dummy_type[], int *cgnr[],
+               real mHmult, gmx_bool bVSiteAromatics,
+               const char *ffdir);
+
+void do_h_mass(t_params *psb, int vsite_type[], t_atoms *at, real mHmult,
+               gmx_bool bDeuterate);
 
-extern void do_h_mass(t_params *psb, int vsite_type[], t_atoms *at, real mHmult,
-                     gmx_bool bDeuterate);
+#ifdef __cplusplus
+}
+#endif
 
-#endif /* _gen_vsite_h */
+#endif