/*
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*
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+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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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.
*
- * And Hey:
- * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
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*/
-#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