*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2018,2019,2020, 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.
struct t_atoms;
struct InteractionsOfType;
+namespace gmx
+{
+class MDLogger;
+}
+
int set_vsites(bool bVerbose,
t_atoms* atoms,
PreprocessingAtomTypes* atype,
- gmx::ArrayRef<InteractionsOfType> plist);
+ gmx::ArrayRef<InteractionsOfType> plist,
+ const gmx::MDLogger& logger);
/* set parameters for virtual sites, return number of virtual sites */
-void set_vsites_ptype(bool bVerbose, gmx_moltype_t* molt);
+void set_vsites_ptype(bool bVerbose, gmx_moltype_t* molt, const gmx::MDLogger& logger);
/* set ptype to VSite for virtual sites */
/*! \brief Clean up the bonded interactions
*
* Throw away all obsolete bonds, angles and dihedrals.
* Throw away all constraints. */
-void clean_vsite_bondeds(gmx::ArrayRef<InteractionsOfType> ps, int natoms, bool bRmVSiteBds);
+void clean_vsite_bondeds(gmx::ArrayRef<InteractionsOfType> ps,
+ int natoms,
+ bool bRmVSiteBds,
+ const gmx::MDLogger& logger);
#endif