Sort all includes in src/gromacs
[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / topio.h
index 11423a801aacd205bfed89083031c67a87a2a251..e03b102aa4dc3da6c8db475d1f2b1a66f4a9c5c9 100644 (file)
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2012, by the GROMACS development team, led by
+ * Copyright (c) 2012,2014, 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.
  * the research papers on the package. Check out http://www.gromacs.org.
  */
 
-#ifndef _topio_h
-#define _topio_h
+#ifndef GMX_GMXPREPROCESS_TOPIO_H
+#define GMX_GMXPREPROCESS_TOPIO_H
 
-#include "typedefs.h"
-#include "readir.h"
-#include "grompp.h"
-#include "gpp_atomtype.h"
+#include "gromacs/gmxpreprocess/gpp_atomtype.h"
+#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/readir.h"
+#include "gromacs/legacyheaders/typedefs.h"
 
-extern double check_mol(gmx_mtop_t *mtop, warninp_t wi);
+#ifdef __cplusplus
+extern "C" {
+#endif
+
+double check_mol(gmx_mtop_t *mtop, warninp_t wi);
 /* Check mass and charge */
 
-extern char **do_top(gmx_bool         bVerbose,
-                     const char      *topfile,
-                     const char      *topppfile,
-                     t_gromppopts    *opts,
-                     gmx_bool         bZero,
-                     t_symtab        *symtab,
-                     t_params         plist[],
-                     int             *combination_rule,
-                     double          *repulsion_power,
-                     real            *fudgeQQ,
-                     gpp_atomtype_t   atype,
-                     int             *nrmols,
-                     t_molinfo      **molinfo,
-                     t_inputrec      *ir,
-                     int             *nmolblock,
-                     gmx_molblock_t **molblock,
-                     gmx_bool         bGB,
-                     warninp_t        wi);
+char **do_top(gmx_bool         bVerbose,
+              const char      *topfile,
+              const char      *topppfile,
+              t_gromppopts    *opts,
+              gmx_bool         bZero,
+              struct t_symtab *symtab,
+              t_params         plist[],
+              int             *combination_rule,
+              double          *repulsion_power,
+              real            *fudgeQQ,
+              gpp_atomtype_t   atype,
+              int             *nrmols,
+              t_molinfo      **molinfo,
+              t_inputrec      *ir,
+              int             *nmolblock,
+              gmx_molblock_t **molblock,
+              gmx_bool         bGB,
+              warninp_t        wi);
 
 
 /* This routine expects sys->molt[m].ilist to be of size F_NRE and ordered. */
 void generate_qmexcl(gmx_mtop_t *sys, t_inputrec *ir, warninp_t    wi);
 
-#endif  /* _topio_h */
+#ifdef __cplusplus
+}
+#endif
+
+#endif