struct gmx_mtop_t;
struct t_atom;
struct t_atomtypes;
-class InteractionType;
-struct InteractionTypeParameters;
+class InteractionOfType;
+struct InteractionsOfType;
struct t_symtab;
/*! \libinternal \brief
* \param[in] atomNumber Atomic number of the entry.
* \returns Number of the type set or NOTSET
*/
- int setType(int nt,
- t_symtab *tab,
- const t_atom &a,
- const std::string &name,
- const InteractionType &nb,
- int bondAtomType,
- int atomNumber);
+ int setType(int nt,
+ t_symtab *tab,
+ const t_atom &a,
+ const std::string &name,
+ const InteractionOfType &nb,
+ int bondAtomType,
+ int atomNumber);
/*! \brief
* Add new atom type to database.
* \param[in] atomNumber Atomic number of the entry.
* \returns Number of entries in database.
*/
- int addType(t_symtab *tab,
- const t_atom &a,
- const std::string &name,
- const InteractionType &nb,
- int bondAtomType,
- int atomNumber);
+ int addType(t_symtab *tab,
+ const t_atom &a,
+ const std::string &name,
+ const InteractionOfType &nb,
+ int bondAtomType,
+ int atomNumber);
/*! \brief
* Renumber existing atom type entries.
* \param[inout] wallAtomType Atom types of wall atoms, which may also be renumbered
* \param[in] verbose If we want to print additional info.
*/
- void renumberTypes(gmx::ArrayRef<InteractionTypeParameters> plist,
+ void renumberTypes(gmx::ArrayRef<InteractionsOfType> plist,
gmx_mtop_t *mtop,
int *wallAtomType,
bool verbose);