Add InteractionDefinitions

[alexxy/gromacs.git] / src / gromacs / topology / topology.h

diff --git a/src/gromacs/topology/topology.h b/src/gromacs/topology/topology.h
index d5b633ee061e9f7bae21e03ebed2b4d4d858e0f6..b541c5ec24e8e49f22d1925f8a9b26b8436934a2 100644 (file)
--- a/src/gromacs/topology/topology.h
+++ b/src/gromacs/topology/topology.h
@@ -207,18 +207,12 @@ struct gmx_mtop_t //NOLINT(clang-analyzer-optin.performance.Padding)
 struct gmx_localtop_t
 {
     //! Constructor used for normal operation, manages own resources.
-    gmx_localtop_t();
-
-    ~gmx_localtop_t();
+    gmx_localtop_t(const gmx_ffparams_t& ffparams);
 
     //! The interaction function definition
-    t_idef idef;
-    //! Atomtype properties
-    t_atomtypes atomtypes;
+    InteractionDefinitions idef;
     //! The exclusions
     gmx::ListOfLists<int> excls;
-    //! Flag for domain decomposition so we don't free already freed memory.
-    bool useInDomainDecomp_ = false;
 };
 
 /* The old topology struct, completely written out, used in analysis tools */