KroenikFile Class Reference [File IO]

File adapter for Kroenik (HardKloer sibling) files. More...

#include <OpenMS/FORMAT/KroenikFile.h>

List of all members.

Public Member Functions
	KroenikFile ()
	Default constructor.
virtual	~KroenikFile ()
	Destructor.
template<typename FeatureMapType >
void	load (const String &filename, FeatureMapType &feature_map)
	Loads a Kroenik file into a featureXML.
template<typename SpectrumType >
void	store (const String &filename, const SpectrumType &spectrum) const
	Stores a featureXML as a Kroenik file.

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Detailed Description

File adapter for Kroenik (HardKloer sibling) files.

The first line is the header and contains the column names:
File, First Scan, Last Scan, Num of Scans, Charge, Monoisotopic Mass, Base Isotope Peak, Best Intensity, Summed Intensity, First RTime, Last RTime, Best RTime, Best Correlation, Modifications

Every subsequent line is a feature.

All properties in the file are converted to Feature properties, whereas "First Scan", "Last Scan", "Num of Scans" and "Modifications" are stored as metavalues with the following names "FirstScan", "LastScan", "NumOfScans" and "AveragineModifications".

The width in m/z of the overall convex hull of each feature is set to 3 Th in lack of a value provided by the Kroenik file.

Note:

Kroenik files are Tab (\t) separated files.

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Constructor & Destructor Documentation

KroenikFile

(

)

Default constructor.

virtual ~KroenikFile

(

)

[virtual]

Destructor.

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Member Function Documentation

void load	(	const String &	filename,
		FeatureMapType &	feature_map
	)			[inline]

Loads a Kroenik file into a featureXML.

The content of the file is stored in features.

Exceptions:

	Exception::FileNotFound	is thrown if the file could not be opened
	Exception::ParseError	is thrown if an error occurs during parsing

References ConvexHull2D::addPoint(), BaseFeature::getCharge(), Peak2D::getMZ(), LOG_INFO, OpenMS::Constants::PROTON_MASS_U, BaseFeature::setCharge(), Feature::setConvexHulls(), Peak2D::setIntensity(), MetaInfoInterface::setMetaValue(), Peak2D::setMZ(), Feature::setOverallQuality(), Peak2D::setRT(), DPosition< D, TCoordinateType >::setX(), DPosition< D, TCoordinateType >::setY(), and String::split().

void store	(	const String &	filename,
		const SpectrumType &	spectrum
	)			const [inline]

Stores a featureXML as a Kroenik file.

NOT IMPLEMENTED

Exceptions:

Exception::UnableToCreateFile

is thrown if the file could not be created