DTAFile Class Reference [File IO]

File adapter for DTA files. More...

#include <OpenMS/FORMAT/DTAFile.h>

List of all members.

Public Member Functions
	DTAFile ()
	Default constructor.
virtual	~DTAFile ()
	Destructor.
template<typename SpectrumType >
void	load (const String &filename, SpectrumType &spectrum)
	Loads a DTA file to a spectrum.
template<typename SpectrumType >
void	store (const String &filename, const SpectrumType &spectrum) const
	Stores a spectrum in a DTA file.

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Detailed Description

File adapter for DTA files.

The first line contains the singly protonated peptide mass (MH+) and the peptide charge state separated by a space. Subsequent lines contain space separated pairs of fragment ion m/z and intensity values.

From precusor mass and charge state the mass-charge-ratio is calculated and stored in the spectrum as precursor mass.

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Constructor & Destructor Documentation

DTAFile

(

)

Default constructor.

virtual ~DTAFile

(

)

[virtual]

Destructor.

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Member Function Documentation

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

Loads a DTA file to a spectrum.

The content of the file is stored in spectrum. spectrum has to be a MSSpectrum or have the same interface.

Exceptions:

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

References File::basename(), String::has(), OpenMS::Constants::PROTON_MASS_U, Precursor::setCharge(), Peak1D::setMZ(), String::split(), and String::trim().

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

Stores a spectrum in a DTA file.

The content of spectrum is stored in a file. spectrum has to be a MSSpectrum or have the same interface.

Exceptions:

Exception::UnableToCreateFile

is thrown if the file could not be created

References Precursor::getCharge(), and Peak1D::getMZ().