gmx::SetPrecision Class Reference

#include <gromacs/coordinateio/outputadapters/setprecision.h>

Inheritance diagram for gmx::SetPrecision:

Collaboration diagram for gmx::SetPrecision:

Description

SetPrecision class allows changing file writing precision.

This class allows the user to define the precision for writing coordinate data to output files.

Public Member Functions
	SetPrecision (int precision)
	Construct SetPrecision object with user defined value. More...
	SetPrecision (SetPrecision &&old) noexcept=default
	Move constructor for SetPrecision.
void	processFrame (int, t_trxframe *input) override
	Change t_trxframe according to user input. More...
void	checkAbilityDependencies (unsigned long abilities) const override
	Checks that the abilities of the output writer are sufficient for this adapter. More...
Public Member Functions inherited from gmx::IOutputAdapter
	IOutputAdapter ()
	Default constructor for IOutputAdapter interface.
	IOutputAdapter (IOutputAdapter &&old) noexcept=default
	Move constructor for old object.
	GMX_DISALLOW_COPY_AND_ASSIGN (IOutputAdapter)

Constructor & Destructor Documentation

gmx::SetPrecision::SetPrecision ( int  precision )

inlineexplicit

Construct SetPrecision object with user defined value.

Can be used to initialize SetPrecision from outside of trajectoryanalysis with the user specified option to change precision or not.

Parameters

[in]

precision

User defined value for output precision in file types that support it.

Member Function Documentation

void gmx::SetPrecision::checkAbilityDependencies ( unsigned long  abilities ) const

overridevirtual

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.

Implements gmx::IOutputAdapter.

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

overridevirtual

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.

Implements gmx::IOutputAdapter.

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

• src/gromacs/coordinateio/outputadapters/setprecision.h
• src/gromacs/coordinateio/outputadapters/setprecision.cpp