gmx::EnergyFrame Class Reference

#include <gromacs/trajectory/energyframe.h>

Description

Contains the content of an .edr frame read by an EnergyFrameReader.

The interface of this class is intended to resemble a subset of std::map.

Public Types
using	MapType = std::map< std::string, real >
	Convenience type.
using	MapConstIterator = MapType::const_iterator
	Convenience type.

Public Member Functions
	EnergyFrame (const t_enxframe &enxframe, const std::map< std::string, int > &indicesOfEnergyFields)
	Constructor.
std::string	frameName () const
	Return string that helps users identify this frame, containing time and step number. More...
const real &	at (const std::string &name) const
	Return the value read for energy name. More...
MapConstIterator	begin () const
	Return const interator to first element of values.
MapConstIterator	end () const
	Return const interator to past the end element of values.
MapConstIterator	find (const std::string &key) const
	Return a const interator to the element with key, or end() if not found.

Member Function Documentation

const real & gmx::EnergyFrame::at

(

const std::string &

name

)

const

Return the value read for energy name.

Exceptions

APIError

if name was not registered with EnergyFileReader.

std::string gmx::EnergyFrame::frameName

(

)

const

Return string that helps users identify this frame, containing time and step number.

Exceptions

std::bad_alloc

when out of memory

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

• src/gromacs/trajectory/energyframe.h
• src/gromacs/trajectory/energyframe.cpp