trajectoryreader.h File Reference

#include <memory>
#include <string>
#include "gromacs/fileio/oenv.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/utility/classhelpers.h"
#include "gromacs/utility/unique_cptr.h"

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Description

Declares interface of a class for tests that want to inspect trajectories produced by mdrun.

Intended usage is to create a TrajectoryFrameReader. Successive calls to its readNextFrameStub and frame methods will return a handle to a t_trxframe object for each frame.

Author

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

Classes
class	gmx::test::TrajectoryFrameReader
	Manages returning a t_trxframe whose contents were read from successive frames of an trajectory file. More...

Typedefs
typedef unique_cptr < gmx_output_env_t, output_env_done >	gmx::test::oenv_ptr
	Convenience smart pointer typedef.
typedef unique_cptr < t_trxstatus, close_trx >	gmx::test::trxstatus_file_ptr
	Convenience smart pointer typedef.
typedef unique_cptr < t_trxframe, done_trxframe >	gmx::test::trxframe_ptr
	Convenience smart pointer typedef.

Functions
void	gmx::test::done_trxframe (t_trxframe *fr)
	Helper function to free all resources. More...