Calibrates using EM algorithm using peptide mass database. More...

Classes
struct	Measurement
	Structure for holding frequency-charge pairs. More...

Public Member Functions
virtual void	iterate ()=0
	Perform a single iteration.
virtual int	iterationCount () const =0
	Return total number of iterations that have been performed.
virtual const data::CalibrationParameters &	parameters () const =0
	Return current estimate of calibration parameters.
virtual int	measurementCount () const =0
	Return number of measurements.
virtual const Measurement *	measurement (int index) const =0
	Return requested measurement.
virtual const MassSpread *	massSpread (int index) const =0
	Return mass spread associated with the measurement.
virtual double	error () const =0
	Return current error measurement.
virtual	~Calibrator ()

Static Public Member Functions
static std::auto_ptr< Calibrator >	create (const MassDatabase &massDatabase, const std::vector< Measurement > &measurements, const data::CalibrationParameters &initialParameters, double initialErrorEstimate, int errorEstimatorIterationCount, const std::string &outputDirectory)
	Create an instance; Log output can be suppressed by setting outputDirectory=="".

Detailed Description

Calibrates using EM algorithm using peptide mass database.

Definition at line 43 of file Calibrator.hpp.

Constructor & Destructor Documentation

virtual pwiz::calibration::Calibrator::~Calibrator ( )

inlinevirtual

Definition at line 85 of file Calibrator.hpp.

{}

static std::auto_ptr<Calibrator> pwiz::calibration::Calibrator::create	(	const MassDatabase &	massDatabase,
		const std::vector< Measurement > &	measurements,
		const data::CalibrationParameters &	initialParameters,
		double	initialErrorEstimate,
		int	errorEstimatorIterationCount,
		const std::string &	outputDirectory
	)

static

Create an instance; Log output can be suppressed by setting outputDirectory=="".

virtual void pwiz::calibration::Calibrator::iterate ( )

pure virtual

Perform a single iteration.

virtual int pwiz::calibration::Calibrator::iterationCount ( ) const

pure virtual

Return total number of iterations that have been performed.

virtual const data::CalibrationParameters& pwiz::calibration::Calibrator::parameters ( ) const

pure virtual

Return current estimate of calibration parameters.

virtual int pwiz::calibration::Calibrator::measurementCount ( ) const

pure virtual

Return number of measurements.

virtual const Measurement* pwiz::calibration::Calibrator::measurement ( int index ) const

pure virtual

Return requested measurement.

virtual const MassSpread* pwiz::calibration::Calibrator::massSpread ( int index ) const

pure virtual

Return mass spread associated with the measurement.

virtual double pwiz::calibration::Calibrator::error ( ) const

pure virtual

Return current error measurement.

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

/Users/parag/_Research/pwiz/svn/trunk/pwiz/pwiz/analysis/calibration/Calibrator.hpp