MsInspectFile Class Reference [File IO]

File adapter for MsInspect files. More...

#include <OpenMS/FORMAT/MsInspectFile.h>

List of all members.

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

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Detailed Description

File adapter for MsInspect files.

Lines with "#" are comments and are ignored.

The first non-comment line is the header and contains the column names:
scan time mz accurateMZ mass intensity charge chargeStates kl background median peaks scanFirst scanLast scanCount totalIntensity sumSquaresDist description

Every subsequent line is a feature.

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Constructor & Destructor Documentation

MsInspectFile

(

)

Default constructor.

virtual ~MsInspectFile

(

)

[virtual]

Destructor.

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Member Function Documentation

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

Loads a MsInspect 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 BaseFeature::setCharge(), Peak2D::setIntensity(), MetaInfoInterface::setMetaValue(), Peak2D::setMZ(), Feature::setOverallQuality(), Peak2D::setRT(), and String::split().

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

Stores a featureXML as a MsInspect file.

NOT IMPLEMENTED

Exceptions:

Exception::UnableToCreateFile

is thrown if the file could not be created