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FeatureFinderAlgorithmPicked::MassTrace Struct Reference

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

List of all members.


Detailed Description

template<class PeakType, class FeatureType>
struct OpenMS::FeatureFinderAlgorithmPicked< PeakType, FeatureType >::MassTrace

Helper struct for mass traces used in FeatureFinderAlgorithmPicked.

Public Member Functions

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

Public Attributes

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

Member Function Documentation

ConvexHull2D getConvexhull (  )  const [inline]

determindes the convex hull of the trace

void updateMaximum (  )  [inline]

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

DoubleReal getAvgMZ (  )  const [inline]

Returns the average m/z of all peaks in this trace.

bool isValid (  )  const [inline]

Checks if this Trace is valid (has more than 2 points).


Member Data Documentation

const PeakType* max_peak

Maximum peak pointer.

DoubleReal max_rt

RT of maximum peak.

DoubleReal theoretical_int

Theoretical intensity value (scaled to [0,1]).

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

Contained peaks (pair of RT and pointer to peak).


The documentation for this struct was generated from the following file:
Generated Tue Apr 1 15:36:47 2008 -- using doxygen 1.5.4 OpenMS / TOPP 1.1