src/gromacs/gmxpreprocess/xlate.h

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  37
  38 #ifndef GMX_GMXPREPROCESS_XLATE_H
  39 #define GMX_GMXPREPROCESS_XLATE_H
  40
  41 struct gmx_residuetype_t;
  42 struct t_atoms;
  43 struct t_restp;
  44 struct t_symtab;
  45
  46 /* If bResname is true renames atoms based on residue names,
  47  * otherwise renames atoms based on rtp entry names.
  48  */
  49 void rename_atoms(const char* xlfile, const char *ffdir,
  50                   t_atoms *atoms, t_symtab *symtab, const t_restp *restp,
  51                   bool bResname, gmx_residuetype_t *rt, bool bReorderNum,
  52                   bool bVerbose);
  53
  54 #endif