loos::TrajectoryWriter Class Reference

Base class for writing trajectories. More...

#include <trajwriter.hpp>

Inheritance diagram for loos::TrajectoryWriter:

Collaboration diagram for loos::TrajectoryWriter:

Public Member Functions
	TrajectoryWriter (const std::string &fname, const bool append=false)
	Write a trajectory to a file, optionally appending.
	TrajectoryWriter (std::iostream *s, const bool append=false)
	Write a trajectory to a stream.
virtual void	setComments (const std::vector< std::string > &comments)
	Set comments in metadata (not all formats support)
virtual void	setComments (const std::string &s)
	Set comment in metadata (not all formats support)
virtual void	writeFrame (const AtomicGroup &model)=0
	Wirte a single frame.
virtual void	writeFrame (const AtomicGroup &model, const uint step, const double time)
	Write a single frame specifying the step and timepoint.
virtual bool	hasFrameStep () const
	Can format write step on a per-frame basis?
virtual bool	hasFrameTime () const
	Can format write time on a per-frame basis?
virtual bool	hasComments () const
	Does format support comments in metadata?
virtual uint	framesWritten () const =0
	Total frames in output file.
bool	isAppending () const
	Returns true if appending to an existing trajectory.

Protected Attributes
std::iostream *	stream_
std::string	_filename
bool	appending_
bool	delete_

Detailed Description

Base class for writing trajectories.

This is the interface for creating and writing to trajectories. The interface is kept simple on purpose to make it easy to work with multiple formats. This means that trajectory and frame metadata may be set to default values. If you need more control over how the trajectory is written, then use the derived classes explicitly.

Constructor & Destructor Documentation

TrajectoryWriter()

loos::TrajectoryWriter::TrajectoryWriter ( std::iostream * s, const bool append = false )

inline

Write a trajectory to a stream.

Note that this constructor assumes that the stream is correctly prepped by the caller...if you need to seekp() to the end of the stream for appending, then this must be done before instantiating the TrajectoryWriter object.

Member Function Documentation

framesWritten()

virtual uint loos::TrajectoryWriter::framesWritten ( ) const

pure virtual

Total frames in output file.

For files being appended too, this includes the frames already written...

Implemented in loos::XTCWriter, and loos::DCDWriter.

hasComments()

virtual bool loos::TrajectoryWriter::hasComments ( ) const

inlinevirtual

Does format support comments in metadata?

Reimplemented in loos::DCDWriter.

setComments()

virtual void loos::TrajectoryWriter::setComments ( const std::vector< std::string > & comments )

inlinevirtual

Set comments in metadata (not all formats support)

Reimplemented in loos::DCDWriter.

writeFrame() [1/2]

virtual void loos::TrajectoryWriter::writeFrame ( const AtomicGroup & model )

pure virtual

Wirte a single frame.

Implemented in loos::DCDWriter, and loos::XTCWriter.

writeFrame() [2/2]

virtual void loos::TrajectoryWriter::writeFrame ( const AtomicGroup & model, const uint step, const double time )

inlinevirtual

Write a single frame specifying the step and timepoint.

Not all formats support this. By default, it will drop the extra data and call writeFrame()

Reimplemented in loos::XTCWriter.

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The documentation for this class was generated from the following file:

• src/trajwriter.hpp