pwiz::chemistry::IsotopeEnvelopeEstimator Class Reference

Class used for calculating a theoretical isotope envelope for a given mass, based on an estimate of the elemental composition for that mass. More...

#include <IsotopeEnvelopeEstimator.hpp>

List of all members.

Classes
struct	Config

Public Member Functions
	IsotopeEnvelopeEstimator (const Config &config)
	~IsotopeEnvelopeEstimator ()
MassDistribution	isotopeEnvelope (double mass) const

Private Member Functions
	IsotopeEnvelopeEstimator (const IsotopeEnvelopeEstimator &)
IsotopeEnvelopeEstimator &	operator= (const IsotopeEnvelopeEstimator &)

Private Attributes
std::auto_ptr< Impl >	impl_

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Detailed Description

Class used for calculating a theoretical isotope envelope for a given mass, based on an estimate of the elemental composition for that mass.

For peptides, the elemental composition estimate is based on the average elemental composition of amino acid residues. Mass distributions are calculated on construction of the object and cached for quick access.

Definition at line 42 of file IsotopeEnvelopeEstimator.hpp.

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Constructor & Destructor Documentation

pwiz::chemistry::IsotopeEnvelopeEstimator::IsotopeEnvelopeEstimator

(

const Config &

config

)

pwiz::chemistry::IsotopeEnvelopeEstimator::~IsotopeEnvelopeEstimator

(

)

pwiz::chemistry::IsotopeEnvelopeEstimator::IsotopeEnvelopeEstimator ( const IsotopeEnvelopeEstimator &  )

private

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Member Function Documentation

MassDistribution pwiz::chemistry::IsotopeEnvelopeEstimator::isotopeEnvelope

(

double

mass

)

const

Referenced by test().

IsotopeEnvelopeEstimator& pwiz::chemistry::IsotopeEnvelopeEstimator::operator= ( const IsotopeEnvelopeEstimator &  )

private

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Member Data Documentation

std::auto_ptr<Impl> pwiz::chemistry::IsotopeEnvelopeEstimator::impl_

private

Definition at line 73 of file IsotopeEnvelopeEstimator.hpp.

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

• /Users/parag/_Research/pwiz/svn/trunk/pwiz/pwiz/utility/chemistry/IsotopeEnvelopeEstimator.hpp