Refactor gmx_group_t to SimulationAtomGroups

[alexxy/gromacs.git] / src / gromacs / mdlib / wall.cpp

diff --git a/src/gromacs/mdlib/wall.cpp b/src/gromacs/mdlib/wall.cpp
index 04bbd147113662aae0216221a086c567ca19c9af..3f086e6898a9367e5b7e32bedeb04b655294d79a 100644 (file)
--- a/src/gromacs/mdlib/wall.cpp
+++ b/src/gromacs/mdlib/wall.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2008, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -60,7 +60,7 @@
 
 void make_wall_tables(FILE *fplog,
                       const t_inputrec *ir, const char *tabfn,
-                      const gmx_groups_t *groups,
+                      const SimulationGroups *groups,
                       t_forcerec *fr)
 {
     int           negp_pp;
@@ -68,7 +68,7 @@ void make_wall_tables(FILE *fplog,
     char          buf[STRLEN];
 
     negp_pp = ir->opts.ngener - ir->nwall;
-    nm_ind  = groups->grps[egcENER].nm_ind;
+    nm_ind  = groups->groups[SimulationAtomGroupType::EnergyOutput].nm_ind;
 
     if (fplog)
     {
@@ -87,8 +87,8 @@ void make_wall_tables(FILE *fplog,
             {
                 sprintf(buf, "%s", tabfn);
                 sprintf(buf + strlen(tabfn) - strlen(ftp2ext(efXVG)) - 1, "_%s_%s.%s",
-                        *groups->grpname[nm_ind[egp]],
-                        *groups->grpname[nm_ind[negp_pp+w]],
+                        *groups->groupNames[nm_ind[egp]],
+                        *groups->groupNames[nm_ind[negp_pp+w]],
                         ftp2ext(efXVG));
                 fr->wall_tab[w][egp] = make_tables(fplog, fr->ic, buf, 0,
                                                    GMX_MAKETABLES_FORCEUSER);