Convert gmx_mtop_t to C++

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

diff --git a/src/gromacs/mdlib/constraintrange.cpp b/src/gromacs/mdlib/constraintrange.cpp
index 0a46e7079d9ccd745bb94114deea493ff22db432..abe685a04d34d6f52df220864c5b1c574d4bc192 100644 (file)
--- a/src/gromacs/mdlib/constraintrange.cpp
+++ b/src/gromacs/mdlib/constraintrange.cpp
@@ -219,14 +219,11 @@ static real constr_r_max_moltype(const gmx_moltype_t *molt,
 
 real constr_r_max(FILE *fplog, const gmx_mtop_t *mtop, const t_inputrec *ir)
 {
-    int  mt;
-    real rmax;
-
-    rmax = 0;
-    for (mt = 0; mt < mtop->nmoltype; mt++)
+    real rmax = 0;
+    for (const gmx_moltype_t &molt : mtop->moltype)
     {
         rmax = std::max(rmax,
-                        constr_r_max_moltype(&mtop->moltype[mt],
+                        constr_r_max_moltype(&molt,
                                              mtop->ffparams.iparams, ir));
     }