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gmx::IEnergyAnalysis Class Referenceabstract

#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]frThe energy data frame
[in]oenvGROMACS 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]oenvGROMACS 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]energyNamesAndUnitsNames and units of the energy terms.
[in]oenvGROMACS output environment
virtual void gmx::IEnergyAnalysis::viewOutput ( const gmx_output_env_t &  oenv)
pure virtual

View the output file(s)

Parameters
[in]oenvGROMACS output environment.

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