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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 clean up resources. More...