topologyinformation.h File Reference

#include <memory>
#include <string>
#include <vector>
#include "gromacs/math/vectypes.h"
#include "gromacs/topology/atoms.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/classhelpers.h"

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Description

Declares gmx::TopologyInformation.

Author

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

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Classes
class	gmx::ArrayRef< T >
	STL-like interface to a C array of T (or part of a std container of T). More...
class	gmx::TopologyInformation
	Topology information available to a trajectory analysis module. More...

Typedefs
typedef struct gmx_rmpbc *	gmx_rmpbc_t
	Forward declaration.

Functions
gmx_rmpbc_t	gmx::gmx_rmpbc_init (const gmx::TopologyInformation &topInfo)
	Convenience overload useful for implementing legacy tools.