src/gromacs/gmxpreprocess/toputil.h

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  37
  38 #ifndef GMX_GMXPREPROCESS_TOPUTIL_H
  39 #define GMX_GMXPREPROCESS_TOPUTIL_H
  40
  41 #include <cstdio>
  42
  43 #include "gromacs/utility/arrayref.h"
  44
  45 #include "gromacs/utility/arrayref.h"
  46
  47 enum class Directive : int;
  48 class PreprocessingAtomTypes;
  49 struct t_atoms;
  50 struct t_blocka;
  51 struct t_excls;
  52 struct MoleculeInformation;
  53 class InteractionOfType;
  54 struct InteractionsOfType;
  55
  56 /* UTILITIES */
  57
  58 void add_param_to_list(InteractionsOfType *list, const InteractionOfType &b);
  59
  60 /* PRINTING */
  61
  62 void print_atoms(FILE *out, PreprocessingAtomTypes *atype, t_atoms *at, int *cgnr,
  63                  bool bRTPresname);
  64
  65 void print_bondeds(FILE *out, int natoms, Directive d,
  66                    int ftype, int fsubtype, gmx::ArrayRef<const InteractionsOfType> plist);
  67
  68 void print_excl(FILE *out, int natoms, t_excls excls[]);
  69
  70 #endif