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FeatureFinderAlgorithmPickedHelperStructs::MassTrace< PeakType > Struct Template Reference

Helper struct for mass traces used in FeatureFinderAlgorithmPicked. More...

#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderAlgorithmPickedHelperStructs.h>

Public Member Functions

ConvexHull2D getConvexhull () const
 determines the convex hull of the trace More...
 
void updateMaximum ()
 Sets the maximum to the highest contained peak of the trace. More...
 
DoubleReal getAvgMZ () const
 Returns the average m/z of all peaks in this trace (weighted by intensity) More...
 
bool isValid () const
 Checks if this Trace is valid (has more than 2 points) More...
 

Public Attributes

const PeakTypemax_peak
 Maximum peak pointer. More...
 
DoubleReal max_rt
 RT of maximum peak. More...
 
DoubleReal theoretical_int
 Theoretical intensity value (scaled to [0,1]) More...
 
std::vector< std::pair
< DoubleReal, const PeakType * > > 
peaks
 Contained peaks (pair of RT and pointer to peak) More...
 

Detailed Description

template<class PeakType>
struct OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace< PeakType >

Helper struct for mass traces used in FeatureFinderAlgorithmPicked.

Member Function Documentation

DoubleReal getAvgMZ ( ) const
inline

Returns the average m/z of all peaks in this trace (weighted by intensity)

References OpenMS::Math::sum().

ConvexHull2D getConvexhull ( ) const
inline

determines the convex hull of the trace

References ConvexHull2D::addPoints().

bool isValid ( ) const
inline
void updateMaximum ( )
inline

Sets the maximum to the highest contained peak of the trace.

Member Data Documentation

const PeakType* max_peak

Maximum peak pointer.

DoubleReal max_rt

RT of maximum peak.

std::vector<std::pair<DoubleReal, const PeakType *> > peaks
DoubleReal theoretical_int

OpenMS / TOPP release 1.11.1 Documentation generated on Thu Nov 14 2013 11:19:34 using doxygen 1.8.5