gmx::IOutputAdapter Class Reference

#include <gromacs/coordinateio/ioutputadapter.h>

Inheritance diagram for gmx::IOutputAdapter:

Description

OutputAdapter class for handling trajectory file flag setting and processing.

This interface provides the base point upon which modules that modify trajectory frame datastructures should be build. The interface itself does not provide any direct means to modify the data, but only gives the virtual method to perform work on a t_trxframe object. Classes that modify trajectory frames should implement this interface.

Public Member Functions
	IOutputAdapter ()
	Default constructor for IOutputAdapter interface.
	IOutputAdapter (IOutputAdapter &&old) noexcept=default
	Move constructor for old object.
virtual void	processFrame (int framenumber, t_trxframe *input)=0
	Change t_trxframe according to user input. More...
virtual void	checkAbilityDependencies (unsigned long abilities) const =0
	Checks that the abilities of the output writer are sufficient for this adapter. More...

Member Function Documentation

virtual void gmx::IOutputAdapter::checkAbilityDependencies ( unsigned long  abilities ) const

pure virtual

Checks that the abilities of the output writer are sufficient for this adapter.

It can happen that a method to write coordinate files does not match with a requested operation on the input data (e.g. the user requires velocities or forces to be written to a PDB file). To check those dependencies, derived classes need to implement a version of this function to make sure that only matching methods can be used.

Parameters

[in]

abilities

The abilities of an output method that need to be checked against the dependencies created by using the derived method.

Exceptions

InconsistentInputError

If dependencies can not be matched to abilities.

Implemented in gmx::SetAtoms, gmx::SetForces, gmx::SetVelocities, gmx::OutputSelector, gmx::SetPrecision, gmx::SetBox, gmx::SetTimeStep, and gmx::SetStartTime.

virtual void gmx::IOutputAdapter::processFrame ( int  framenumber, t_trxframe *  input  )

pure virtual

Change t_trxframe according to user input.

Parameters

[in]	framenumber	Frame number as reported from the trajectoryanalysis framework or set by user.
[in,out]	input	Pointer to trajectory analysis frame that will be worked on.

Implemented in gmx::SetAtoms, gmx::SetForces, gmx::SetVelocities, gmx::OutputSelector, gmx::SetPrecision, gmx::SetTimeStep, gmx::SetBox, and gmx::SetStartTime.

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

• src/gromacs/coordinateio/ioutputadapter.h