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 enum class Directive : int;
  44 class PreprocessingAtomTypes;
  45 struct t_atoms;
  46 struct t_blocka;
  47 struct t_excls;
  48 struct MoleculeInformation;
  49 class InteractionOfType;
  50 struct InteractionsOfType;
  51
  52 namespace gmx
  53 {
  54 template<typename>
  55 class ArrayRef;
  56 }
  57
  58 /* UTILITIES */
  59
  60 void add_param_to_list(InteractionsOfType* list, const InteractionOfType& b);
  61
  62 /* PRINTING */
  63
  64 void print_atoms(FILE* out, PreprocessingAtomTypes* atype, t_atoms* at, int* cgnr, bool bRTPresname);
  65
  66 void print_bondeds(FILE*                                   out,
  67                    int                                     natoms,
  68                    Directive                               d,
  69                    int                                     ftype,
  70                    int                                     fsubtype,
  71                    gmx::ArrayRef<const InteractionsOfType> plist);
  72
  73 void print_excl(FILE* out, int natoms, t_excls excls[]);
  74
  75 #endif