gmx::TrajectoryFrameWriter Class Reference

#include <gromacs/coordinateio/coordinatefile.h>

Description

Writes coordinate frames to a sink, e.g. a trajectory file.

Writes all frames passed to the trajectory file handle it manages. It can use IOutputAdapter modules to transform the frame data before writing. If any transform modules are used, makes a deep copy of the frame contents.

Public Member Functions
void	prepareAndWriteFrame (int framenumber, const t_trxframe &input)
	Writes the input frame, after applying any IOutputAdapters. More...

Friends
std::unique_ptr < TrajectoryFrameWriter >	createTrajectoryFrameWriter (const gmx_mtop_t *top, const Selection &sel, const std::string &filename, AtomsDataPtr atoms, OutputRequirements requirements)
	Factory function for TrajectoryFrameWriter. More...

Member Function Documentation

void gmx::TrajectoryFrameWriter::prepareAndWriteFrame	(	int	framenumber,
		const t_trxframe &	input
	)

Writes the input frame, after applying any IOutputAdapters.

Parameters

[in]	framenumber	Number of frame being currently processed.
[in]	input	View of the constant t_trxframe object provided by the method that calls the output manager.

Friends And Related Function Documentation

std::unique_ptr<TrajectoryFrameWriter> createTrajectoryFrameWriter ( const gmx_mtop_t *  top, const Selection &  sel, const std::string &  filename, AtomsDataPtr  atoms, OutputRequirements  requirements  )

friend

Factory function for TrajectoryFrameWriter.

Used to initialize a new instance of TrajectoryFrameWriter with the user supplied information for writing trajectory data to disk. Information needed is the file type, file name corresponding to the type, if available topology information and selection information.

If supplied, the modules contained within adapters are registered on the TrajectoryFrameWriter if possible.

The factory function is responsible for the initial santity checks concerning file types and availability of topology information, with the registration of modules being the second part.

Parameters

[in]	top	Pointer to full topology or null.
[in]	sel	Reference to global selection used to construct the object.
[in]	filename	Name of new output file, used to deduce file type.
[in]	atoms	Smart Pointer to atoms data or null.
[in]	requirements	Container for settings obtained to specify which OutputAdapters should be registered.

Exceptions

InconsistentInputError

When user input and requirements don't match.

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

• src/gromacs/coordinateio/coordinatefile.h
• src/gromacs/coordinateio/coordinatefile.cpp