gmx::test::EnergyFrame Class Reference

#include <programs/mdrun/tests/energyreader.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.

Objects of this type are intended to be constructed by EnergyFrameReader objects, and as such will always contain valid data from an .edr file frame.

Public Member Functions
std::string	getFrameName () 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...
	EnergyFrame ()
	Constructor.

Friends
class	EnergyFrameReader
void	compareFrames (const std::pair< EnergyFrame, EnergyFrame > &frames, FloatingPointTolerance tolerance)
	Compare all fields of reference with all matching fields from test. More...

Member Function Documentation

const real & gmx::test::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::test::EnergyFrame::getFrameName

(

)

const

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

Exceptions

std::bad_alloc

when out of memory

Friends And Related Function Documentation

void compareFrames ( const std::pair< EnergyFrame, EnergyFrame > &  frames, FloatingPointTolerance  tolerance  )

friend

Compare all fields of reference with all matching fields from test.

Ignore any key found in either reference or test that is not found in the other. For all keys found in both frames, compare the values with EXPECT_REAL_EQ_TOL and the given tolerance.

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

• src/programs/mdrun/tests/energyreader.h
• src/programs/mdrun/tests/energyreader.cpp