Add InteractionDefinitions

[alexxy/gromacs.git] / src / gromacs / pbcutil / rmpbc.h

diff --git a/src/gromacs/pbcutil/rmpbc.h b/src/gromacs/pbcutil/rmpbc.h
index 1b93ae538efd5f5a9aa8215df57a7e9851a75094..ac7411ee9cd6e5701b4fd2fc2ea86a2585941b82 100644 (file)
--- a/src/gromacs/pbcutil/rmpbc.h
+++ b/src/gromacs/pbcutil/rmpbc.h
@@ -39,6 +39,7 @@
 
 #include "gromacs/math/vectypes.h"
 
+class InteractionDefinitions;
 struct t_atoms;
 struct t_idef;
 struct t_trxframe;
@@ -46,6 +47,8 @@ enum class PbcType : int;
 
 typedef struct gmx_rmpbc* gmx_rmpbc_t;
 
+gmx_rmpbc_t gmx_rmpbc_init(const InteractionDefinitions& idef, PbcType pbcType, int natoms);
+
 gmx_rmpbc_t gmx_rmpbc_init(const t_idef* idef, PbcType pbcType, int natoms);
 
 void gmx_rmpbc_done(gmx_rmpbc_t gpbc);