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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>

Classes

struct  Config
 

Public Member Functions

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

Private Member Functions

 IsotopeEnvelopeEstimator (const IsotopeEnvelopeEstimator &)
 
IsotopeEnvelopeEstimatoroperator= (const IsotopeEnvelopeEstimator &)
 

Private Attributes

std::auto_ptr< Impl > impl_
 

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.

Constructor & Destructor Documentation

§ IsotopeEnvelopeEstimator() [1/2]

pwiz::chemistry::IsotopeEnvelopeEstimator::IsotopeEnvelopeEstimator ( const Config config)

§ ~IsotopeEnvelopeEstimator()

pwiz::chemistry::IsotopeEnvelopeEstimator::~IsotopeEnvelopeEstimator ( )

§ IsotopeEnvelopeEstimator() [2/2]

pwiz::chemistry::IsotopeEnvelopeEstimator::IsotopeEnvelopeEstimator ( const IsotopeEnvelopeEstimator )
private

Member Function Documentation

§ isotopeEnvelope()

MassDistribution pwiz::chemistry::IsotopeEnvelopeEstimator::isotopeEnvelope ( double  mass) const

Referenced by test().

§ operator=()

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

Member Data Documentation

§ impl_

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

Definition at line 73 of file IsotopeEnvelopeEstimator.hpp.


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