Make PBC type enumeration into PbcType enum class

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

diff --git a/src/gromacs/pbcutil/pbcmethods.h b/src/gromacs/pbcutil/pbcmethods.h
index ff796c5c9b5c49bbbacd0f79f35b17efee89d743..262d32a8629370cb3784062f33a3dae25c9971e1 100644 (file)
--- a/src/gromacs/pbcutil/pbcmethods.h
+++ b/src/gromacs/pbcutil/pbcmethods.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2019, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -38,6 +38,7 @@
 struct t_topology;
 struct t_block;
 struct t_atom;
+enum class PbcType : int;
 
 #include "gmxpre.h"
 
@@ -52,7 +53,7 @@ enum
     euNR
 };
 
-void calc_pbc_cluster(int ecenter, int nrefat, t_topology* top, int ePBC, rvec x[], const int index[], matrix box);
+void calc_pbc_cluster(int ecenter, int nrefat, t_topology* top, PbcType pbcType, rvec x[], const int index[], matrix box);
 
 
 void put_molecule_com_in_box(int      unitcell_enum,
@@ -60,11 +61,17 @@ void put_molecule_com_in_box(int      unitcell_enum,
                              t_block* mols,
                              int      natoms,
                              t_atom   atom[],
-                             int      ePBC,
+                             PbcType  pbcType,
                              matrix   box,
                              rvec     x[]);
 
-void put_residue_com_in_box(int unitcell_enum, int ecenter, int natoms, t_atom atom[], int ePBC, matrix box, rvec x[]);
+void put_residue_com_in_box(int     unitcell_enum,
+                            int     ecenter,
+                            int     natoms,
+                            t_atom  atom[],
+                            PbcType pbcType,
+                            matrix  box,
+                            rvec    x[]);
 
 void center_x(int ecenter, rvec x[], matrix box, int n, int nc, const int ci[]);