OpenMS  2.8.0
Public Member Functions | Private Attributes | List of all members
FeatureHypothesis Class Reference

Internal structure used in FeatureFindingMetabo that keeps track of a feature hypothesis (isotope group hypothesis). More...

#include <OpenMS/FILTERING/DATAREDUCTION/FeatureFindingMetabo.h>

Collaboration diagram for FeatureHypothesis:
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Public Member Functions

 FeatureHypothesis ()=default
 default constructor More...
 
 ~FeatureHypothesis ()=default
 default destructor More...
 
 FeatureHypothesis (const FeatureHypothesis &)=default
 copy constructor More...
 
FeatureHypothesisoperator= (const FeatureHypothesis &rhs)=default
 assignment operator More...
 
Size getSize () const
 
String getLabel () const
 
std::vector< StringgetLabels () const
 
double getScore () const
 
void setScore (const double &score)
 
SignedSize getCharge () const
 
void setCharge (const SignedSize &ch)
 
std::vector< double > getAllIntensities (bool smoothed=false) const
 
std::vector< double > getAllCentroidMZ () const
 
std::vector< double > getAllCentroidRT () const
 
std::vector< double > getIsotopeDistances () const
 
double getCentroidMZ () const
 
double getCentroidRT () const
 
double getFWHM () const
 
void addMassTrace (const MassTrace &)
 addMassTrace More...
 
double getMonoisotopicFeatureIntensity (bool) const
 
double getSummedFeatureIntensity (bool) const
 
double getMaxIntensity (bool smoothed=false) const
 return highest apex of all isotope traces More...
 
Size getNumFeatPoints () const
 
std::vector< ConvexHull2DgetConvexHulls () const
 
std::vector< OpenMS::MSChromatogramgetChromatograms (UInt64 feature_id) const
 

Private Attributes

std::vector< const MassTrace * > iso_pattern_
 
double feat_score_ {}
 
SignedSize charge_ {}
 

Detailed Description

Internal structure used in FeatureFindingMetabo that keeps track of a feature hypothesis (isotope group hypothesis).

Constructor & Destructor Documentation

◆ FeatureHypothesis() [1/2]

FeatureHypothesis ( )
default

default constructor

◆ ~FeatureHypothesis()

~FeatureHypothesis ( )
default

default destructor

◆ FeatureHypothesis() [2/2]

FeatureHypothesis ( const FeatureHypothesis )
default

copy constructor

Member Function Documentation

◆ addMassTrace()

void addMassTrace ( const MassTrace )

addMassTrace

◆ getAllCentroidMZ()

std::vector<double> getAllCentroidMZ ( ) const

◆ getAllCentroidRT()

std::vector<double> getAllCentroidRT ( ) const

◆ getAllIntensities()

std::vector<double> getAllIntensities ( bool  smoothed = false) const

◆ getCentroidMZ()

double getCentroidMZ ( ) const

◆ getCentroidRT()

double getCentroidRT ( ) const

◆ getCharge()

SignedSize getCharge ( ) const

◆ getChromatograms()

std::vector< OpenMS::MSChromatogram > getChromatograms ( UInt64  feature_id) const

◆ getConvexHulls()

std::vector<ConvexHull2D> getConvexHulls ( ) const

◆ getFWHM()

double getFWHM ( ) const

◆ getIsotopeDistances()

std::vector<double> getIsotopeDistances ( ) const

◆ getLabel()

String getLabel ( ) const

◆ getLabels()

std::vector<String> getLabels ( ) const

◆ getMaxIntensity()

double getMaxIntensity ( bool  smoothed = false) const

return highest apex of all isotope traces

◆ getMonoisotopicFeatureIntensity()

double getMonoisotopicFeatureIntensity ( bool  ) const

◆ getNumFeatPoints()

Size getNumFeatPoints ( ) const

◆ getScore()

double getScore ( ) const

◆ getSize()

Size getSize ( ) const

◆ getSummedFeatureIntensity()

double getSummedFeatureIntensity ( bool  ) const

◆ operator=()

FeatureHypothesis& operator= ( const FeatureHypothesis rhs)
default

assignment operator

◆ setCharge()

void setCharge ( const SignedSize ch)

◆ setScore()

void setScore ( const double &  score)

Member Data Documentation

◆ charge_

SignedSize charge_ {}
private

◆ feat_score_

double feat_score_ {}
private

◆ iso_pattern_

std::vector<const MassTrace*> iso_pattern_
private