Use better data structure to implement ResidueType

[alexxy/gromacs.git] / src / gromacs / gmxana / dlist.cpp

diff --git a/src/gromacs/gmxana/dlist.cpp b/src/gromacs/gmxana/dlist.cpp
index c21f89fb443096f7a2fc61306d48c41c79ec50b1..acdfcd0df88579fc09d6109af75b94ebb9784bf9 100644 (file)
--- a/src/gromacs/gmxana/dlist.cpp
+++ b/src/gromacs/gmxana/dlist.cpp
@@ -47,15 +47,15 @@
 #include "gromacs/topology/topology.h"
 #include "gromacs/utility/fatalerror.h"
 
-std::vector<t_dlist> mk_dlist(FILE*          log,
-                              const t_atoms* atoms,
-                              gmx_bool       bPhi,
-                              gmx_bool       bPsi,
-                              gmx_bool       bChi,
-                              gmx_bool       bHChi,
-                              int            maxchi,
-                              int            r0,
-                              ResidueType*   rt)
+std::vector<t_dlist> mk_dlist(FILE*           log,
+                              const t_atoms*  atoms,
+                              gmx_bool        bPhi,
+                              gmx_bool        bPsi,
+                              gmx_bool        bChi,
+                              gmx_bool        bHChi,
+                              int             maxchi,
+                              int             r0,
+                              ResidueTypeMap* rt)
 {
     int       i, j, ii;
     t_dihatms atm, prev;
@@ -231,7 +231,7 @@ std::vector<t_dlist> mk_dlist(FILE*          log,
             /* Prevent use of unknown residues. If one adds a custom residue to
              * residuetypes.dat but somehow loses it, changes it, or does analysis on
              * another machine, the residue type will be unknown. */
-            if (!rt->nameIndexedInResidueTypes(thisres))
+            if (!rt->nameIndexedInResidueTypeMap(thisres))
             {
                 gmx_fatal(FARGS,
                           "Unknown residue %s when searching for residue type.\n"