Move constraint and bonded filtering info into DDSystemInfo

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

diff --git a/src/gromacs/mdlib/constr.cpp b/src/gromacs/mdlib/constr.cpp
index 11c7bb7d6d477aa0f53a5bd8252da534aae72199..2be5fd3c3a553e9dc360114002286ba2b5660e15 100644 (file)
--- a/src/gromacs/mdlib/constr.cpp
+++ b/src/gromacs/mdlib/constr.cpp
@@ -1069,13 +1069,13 @@ Constraints::Impl::Impl(const gmx_mtop_t     &mtop_p,
         {
             lincsd = init_lincs(log, mtop,
                                 nflexcon, at2con_mt,
-                                DOMAINDECOMP(cr) && cr->dd->splitConstraints,
+                                DOMAINDECOMP(cr) && ddHaveSplitConstraints(*cr->dd),
                                 ir.nLincsIter, ir.nProjOrder);
         }
 
         if (ir.eConstrAlg == econtSHAKE)
         {
-            if (DOMAINDECOMP(cr) && cr->dd->splitConstraints)
+            if (DOMAINDECOMP(cr) && ddHaveSplitConstraints(*cr->dd))
             {
                 gmx_fatal(FARGS, "SHAKE is not supported with domain decomposition and constraint that cross charge group boundaries, use LINCS");
             }