Use more arrayref in listed forces sigatures

[alexxy/gromacs.git] / src / gromacs / listed_forces / bonded.h

diff --git a/src/gromacs/listed_forces/bonded.h b/src/gromacs/listed_forces/bonded.h
index d3c006145e1070282bc78e585f6961391eed46e5..7a2b6282b91b064588fbe2441aae6f73ea89cc48 100644 (file)
--- a/src/gromacs/listed_forces/bonded.h
+++ b/src/gromacs/listed_forces/bonded.h
@@ -56,7 +56,6 @@
 
 struct gmx_cmap_t;
 struct t_fcdata;
-struct t_mdatom;
 struct t_nrnb;
 struct t_pbc;
 struct t_disresdata;
@@ -66,6 +65,8 @@ namespace gmx
 {
 template<typename EnumType, typename DataType, EnumType ArraySize>
 struct EnumerationArray;
+template<typename>
+class ArrayRef;
 } // namespace gmx
 
 /*! \brief Calculate bond-angle. No PBC is taken into account (use mol-shift) */
@@ -127,7 +128,7 @@ real cmap_dihs(int                 nbonds,
                const struct t_pbc* pbc,
                real gmx_unused lambda,
                real gmx_unused* dvdlambda,
-               const t_mdatoms gmx_unused* md,
+               gmx::ArrayRef<const real> /*charge*/,
                t_fcdata gmx_unused* fcd,
                t_disresdata gmx_unused* disresdata,
                t_oriresdata gmx_unused* oriresdata,
@@ -172,20 +173,20 @@ static constexpr inline bool computeEnergyOrVirial(const BondedKernelFlavor flav
  * All pointers should be non-null, except for pbc and g which can be nullptr.
  * \returns the energy or 0 when \p bondedKernelFlavor did not request the energy.
  */
-real calculateSimpleBond(int                 ftype,
-                         int                 numForceatoms,
-                         const t_iatom       forceatoms[],
-                         const t_iparams     forceparams[],
-                         const rvec          x[],
-                         rvec4               f[],
-                         rvec                fshift[],
-                         const struct t_pbc* pbc,
-                         real                lambda,
-                         real*               dvdlambda,
-                         const t_mdatoms*    md,
-                         t_fcdata*           fcd,
-                         t_disresdata*       disresdata,
-                         t_oriresdata*       oriresdata,
+real calculateSimpleBond(int                       ftype,
+                         int                       numForceatoms,
+                         const t_iatom             forceatoms[],
+                         const t_iparams           forceparams[],
+                         const rvec                x[],
+                         rvec4                     f[],
+                         rvec                      fshift[],
+                         const struct t_pbc*       pbc,
+                         real                      lambda,
+                         real*                     dvdlambda,
+                         gmx::ArrayRef<const real> charge,
+                         t_fcdata*                 fcd,
+                         t_disresdata*             disresdata,
+                         t_oriresdata*             oriresdata,
                          int gmx_unused*    global_atom_index,
                          BondedKernelFlavor bondedKernelFlavor);