#include <gromacs/energyanalysis/ienergyanalysis.h>

Description

Interface class overloaded by the separate energy modules.

Public Member Functions
virtual	~IEnergyAnalysis ()
	Obligatory virtual destructor.

virtual void	initOptions (IOptionsContainer options, ICommandLineOptionsModuleSettings settings)=0
	Initiate the command line options.

virtual void	initAnalysis (ArrayRef< const EnergyNameUnit > energyNamesAndUnits, const gmx_output_env_t &oenv)=0
	Does the initiation of the analysis of the file. More...

virtual void	analyzeFrame (t_enxframe *fr, const gmx_output_env_t &oenv)=0
	Analyse one frame and stores the results in memory. More...

virtual void	finalizeAnalysis (const gmx_output_env_t &oenv)=0
	Finalize reading and write output files. More...

virtual void	viewOutput (const gmx_output_env_t &oenv)=0
	View the output file(s) More...

Member Function Documentation

virtual void gmx::IEnergyAnalysis::analyzeFrame	(	t_enxframe *	fr,
		const gmx_output_env_t &	oenv
	)

pure virtual

Analyse one frame and stores the results in memory.

Parameters

[in]	fr	The energy data frame
[in]	oenv	GROMACS output environment. This is needed in some cases where the output to be written depends on the content of the energy file.

virtual void gmx::IEnergyAnalysis::finalizeAnalysis ( const gmx_output_env_t & oenv )

pure virtual

Finalize reading and write output files.

Parameters

[in] oenv GROMACS output environment.

virtual void gmx::IEnergyAnalysis::initAnalysis	(	ArrayRef< const EnergyNameUnit >	energyNamesAndUnits,
		const gmx_output_env_t &	oenv
	)

pure virtual

Does the initiation of the analysis of the file.

Parameters

[in]	energyNamesAndUnits	Names and units of the energy terms.
[in]	oenv	GROMACS output environment

virtual void gmx::IEnergyAnalysis::viewOutput ( const gmx_output_env_t & oenv )

pure virtual

View the output file(s)

Parameters

[in] oenv GROMACS output environment.

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