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[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / toppush.h

diff --git a/src/gromacs/gmxpreprocess/toppush.h b/src/gromacs/gmxpreprocess/toppush.h
index 8982cfcd521228782d86283202e26d888cb30f4d..bd0f13c2695a0059e5229a5474ab534494f5d2d2 100644 (file)
--- a/src/gromacs/gmxpreprocess/toppush.h
+++ b/src/gromacs/gmxpreprocess/toppush.h
@@ -60,79 +60,93 @@ namespace gmx
 struct ExclusionBlock;
 } // namespace gmx
 
-void generate_nbparams(int comb, int funct, InteractionsOfType *plist,
-                       PreprocessingAtomTypes *atype,
-                       warninp *wi);
-
-void push_at (struct t_symtab *symtab, PreprocessingAtomTypes *at,
-              PreprocessingBondAtomType *bat, char *line, int nb_funct,
-              t_nbparam ***nbparam, t_nbparam ***pair,
-              warninp *wi);
-
-void push_bt(Directive d, gmx::ArrayRef<InteractionsOfType> bt, int nral,
-             PreprocessingAtomTypes *at, PreprocessingBondAtomType *bat, char *line,
-             warninp *wi);
-
-void push_dihedraltype(Directive d, gmx::ArrayRef<InteractionsOfType> bt,
-                       PreprocessingBondAtomType *bat, char *line,
-                       warninp *wi);
-
-void push_cmaptype(Directive d, gmx::ArrayRef<InteractionsOfType> bt, int nral, PreprocessingAtomTypes *at,
-                   PreprocessingBondAtomType *bat, char *line,
-                   warninp *wi);
-
-void push_nbt(Directive d, t_nbparam **nbt, PreprocessingAtomTypes *atype,
-              char *plines, int nb_funct,
-              warninp *wi);
-
-void push_atom(struct t_symtab           *symtab,
-               t_atoms                   *at,
-               PreprocessingAtomTypes    *atype,
-               char                      *line,
-               warninp                   *wi);
-
-void push_bond(Directive d, gmx::ArrayRef<InteractionsOfType> bondtype,
+void generate_nbparams(int comb, int funct, InteractionsOfType* plist, PreprocessingAtomTypes* atype, warninp* wi);
+
+void push_at(struct t_symtab*           symtab,
+             PreprocessingAtomTypes*    at,
+             PreprocessingBondAtomType* bat,
+             char*                      line,
+             int                        nb_funct,
+             t_nbparam***               nbparam,
+             t_nbparam***               pair,
+             warninp*                   wi);
+
+void push_bt(Directive                         d,
+             gmx::ArrayRef<InteractionsOfType> bt,
+             int                               nral,
+             PreprocessingAtomTypes*           at,
+             PreprocessingBondAtomType*        bat,
+             char*                             line,
+             warninp*                          wi);
+
+void push_dihedraltype(Directive                         d,
+                       gmx::ArrayRef<InteractionsOfType> bt,
+                       PreprocessingBondAtomType*        bat,
+                       char*                             line,
+                       warninp*                          wi);
+
+void push_cmaptype(Directive                         d,
+                   gmx::ArrayRef<InteractionsOfType> bt,
+                   int                               nral,
+                   PreprocessingAtomTypes*           at,
+                   PreprocessingBondAtomType*        bat,
+                   char*                             line,
+                   warninp*                          wi);
+
+void push_nbt(Directive d, t_nbparam** nbt, PreprocessingAtomTypes* atype, char* plines, int nb_funct, warninp* wi);
+
+void push_atom(struct t_symtab* symtab, t_atoms* at, PreprocessingAtomTypes* atype, char* line, warninp* wi);
+
+void push_bond(Directive                         d,
+               gmx::ArrayRef<InteractionsOfType> bondtype,
                gmx::ArrayRef<InteractionsOfType> bond,
-               t_atoms *at, PreprocessingAtomTypes *atype, char *line,
-               bool bBonded, bool bGenPairs, real fudgeQQ,
-               bool bZero, bool *bWarn_copy_A_B,
-               warninp *wi);
-
-void push_cmap(Directive d,
+               t_atoms*                          at,
+               PreprocessingAtomTypes*           atype,
+               char*                             line,
+               bool                              bBonded,
+               bool                              bGenPairs,
+               real                              fudgeQQ,
+               bool                              bZero,
+               bool*                             bWarn_copy_A_B,
+               warninp*                          wi);
+
+void push_cmap(Directive                         d,
                gmx::ArrayRef<InteractionsOfType> bondtype,
                gmx::ArrayRef<InteractionsOfType> bond,
-               t_atoms *at, PreprocessingAtomTypes *atype, char *line,
-               warninp *wi);
+               t_atoms*                          at,
+               PreprocessingAtomTypes*           atype,
+               char*                             line,
+               warninp*                          wi);
 
-void push_vsitesn(Directive d, gmx::ArrayRef<InteractionsOfType> bond,
-                  t_atoms *at, char *line,
-                  warninp *wi);
+void push_vsitesn(Directive d, gmx::ArrayRef<InteractionsOfType> bond, t_atoms* at, char* line, warninp* wi);
 
-void push_mol(gmx::ArrayRef<MoleculeInformation> mols, char *pline,
-              int *whichmol, int *nrcopies,
-              warninp *wi);
+void push_mol(gmx::ArrayRef<MoleculeInformation> mols, char* pline, int* whichmol, int* nrcopies, warninp* wi);
 
-void push_molt(struct t_symtab *symtab, std::vector<MoleculeInformation> *mol, char *line,
-               warninp *wi);
+void push_molt(struct t_symtab* symtab, std::vector<MoleculeInformation>* mol, char* line, warninp* wi);
 
-void push_excl(char *line, gmx::ArrayRef<gmx::ExclusionBlock> b2, warninp *wi);
+void push_excl(char* line, gmx::ArrayRef<gmx::ExclusionBlock> b2, warninp* wi);
 
-int copy_nbparams(t_nbparam **param, int ftype, InteractionsOfType *plist, int nr);
+int copy_nbparams(t_nbparam** param, int ftype, InteractionsOfType* plist, int nr);
 
-void free_nbparam(t_nbparam **param, int nr);
+void free_nbparam(t_nbparam** param, int nr);
 
-int add_atomtype_decoupled(struct t_symtab *symtab, PreprocessingAtomTypes *at,
-                           t_nbparam ***nbparam, t_nbparam ***pair);
+int add_atomtype_decoupled(struct t_symtab*        symtab,
+                           PreprocessingAtomTypes* at,
+                           t_nbparam***            nbparam,
+                           t_nbparam***            pair);
 /* Add an atom type with all parameters set to zero (no interactions).
  * Returns the atom type number.
  */
 
-void convert_moltype_couple(MoleculeInformation *mol, int atomtype_decouple,
-                            real fudgeQQ,
-                            int couple_lam0, int couple_lam1,
-                            bool bCoupleIntra,
-                            int nb_funct, InteractionsOfType *nbp,
-                            warninp *wi);
+void convert_moltype_couple(MoleculeInformation* mol,
+                            int                  atomtype_decouple,
+                            real                 fudgeQQ,
+                            int                  couple_lam0,
+                            int                  couple_lam1,
+                            bool                 bCoupleIntra,
+                            int                  nb_funct,
+                            InteractionsOfType*  nbp,
+                            warninp*             wi);
 /* Setup mol such that the B-state has no interaction with the rest
  * of the system, but full interaction with itself.
  */