topologyinformation.cpp File Reference

#include "gmxpre.h"
#include "topologyinformation.h"
#include <memory>
#include "gromacs/fileio/confio.h"
#include "gromacs/math/vec.h"
#include "gromacs/pbcutil/rmpbc.h"
#include "gromacs/topology/mtop_util.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/unique_cptr.h"

Include dependency graph for topologyinformation.cpp:

Description

Implements classes in topologyinformation.h.

Author

Teemu Murtola teemu.nosp@m..mur.nosp@m.tola@.nosp@m.gmai.nosp@m.l.com

Functions
AtomsDataPtr	gmx::anonymous_namespace{topologyinformation.cpp}::makeAtoms (const TopologyInformation &top_)
	Helps implement lazy initialization.
gmx_rmpbc_t	gmx::gmx_rmpbc_init (const gmx::TopologyInformation &topInfo)
	Convenience overload useful for implementing legacy tools.