Merge branch release-2018

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

diff --git a/src/gromacs/gmxpreprocess/readir.h b/src/gromacs/gmxpreprocess/readir.h
index 3c4fe4149eb90dd9d0d83081aa8825fcc7cede70..487b0160933b76303e22bdf8628a3de64d8f477c 100644 (file)
--- a/src/gromacs/gmxpreprocess/readir.h
+++ b/src/gromacs/gmxpreprocess/readir.h
@@ -72,17 +72,17 @@ struct t_gromppopts
     int      nshake;
     char    *include;
     char    *define;
-    gmx_bool bGenVel;
-    gmx_bool bGenPairs;
+    bool     bGenVel;
+    bool     bGenPairs;
     real     tempi;
     int      seed;
-    gmx_bool bOrire;
-    gmx_bool bMorse;
+    bool     bOrire;
+    bool     bMorse;
     char    *wall_atomtype[2];
     char    *couple_moltype;
     int      couple_lam0;
     int      couple_lam1;
-    gmx_bool bCoupleIntra;
+    bool     bCoupleIntra;
 };
 
 /*! \brief Initialise object to hold strings parsed from an .mdp file */
@@ -100,8 +100,8 @@ int search_string(const char *s, int ng, char *gn[]);
 /* Returns the index of string s in the index groups */
 
 void double_check(t_inputrec *ir, matrix box,
-                  gmx_bool bHasNormalConstraints,
-                  gmx_bool bHasAnyConstraints,
+                  bool bHasNormalConstraints,
+                  bool bHasAnyConstraints,
                   warninp_t wi);
 /* Do more checks */
 
@@ -125,7 +125,7 @@ void get_ir(const char *mdparin, const char *mdparout,
 void do_index(const char* mdparin,
               const char *ndx,
               gmx_mtop_t *mtop,
-              gmx_bool    bVerbose,
+              bool        bVerbose,
               t_inputrec *ir,
               warninp_t   wi);
 /* Read the index file and assign grp numbers to atoms.
@@ -133,9 +133,9 @@ void do_index(const char* mdparin,
 
 /* Routines In readpull.c */
 
-char **read_pullparams(int *ninp_p, t_inpfile **inp,
-                       pull_params_t *pull,
-                       warninp_t wi);
+char **read_pullparams(std::vector<t_inpfile> *inp,
+                       pull_params_t          *pull,
+                       warninp_t               wi);
 /* Reads the pull parameters, returns a list of the pull group names */
 
 void make_pull_groups(pull_params_t *pull,
@@ -148,7 +148,6 @@ void make_pull_coords(pull_params_t *pull);
 
 pull_t *set_pull_init(t_inputrec *ir, const gmx_mtop_t *mtop,
                       rvec *x, matrix box, real lambda,
-                      const gmx_output_env_t *oenv,
                       warninp_t wi);
 /* Prints the initial pull group distances in x.
  * If requested, adds the current distance to the initial reference location.
@@ -159,7 +158,7 @@ pull_t *set_pull_init(t_inputrec *ir, const gmx_mtop_t *mtop,
 int str_nelem(const char *str, int maxptr, char *ptr[]);
 /* helper function from readir.c to convert strings */
 
-char **read_rotparams(int *ninp_p, t_inpfile **inp, t_rot *rot, warninp_t wi);
+char **read_rotparams(std::vector<t_inpfile> *inp, t_rot *rot, warninp_t wi);
 /* Reads enforced rotation parameters, returns a list of the rot group names */
 
 void make_rotation_groups(t_rot *rot, char **rotgnames,
@@ -167,6 +166,6 @@ void make_rotation_groups(t_rot *rot, char **rotgnames,
 /* Process the rotation parameters after reading the index groups */
 
 void set_reference_positions(t_rot *rot, rvec *x, matrix box,
-                             const char *fn, gmx_bool bSet, warninp_t wi);
+                             const char *fn, bool bSet, warninp_t wi);
 
 #endif