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FeatureFinderAlgorithmPickedHelperStructs::MassTraces< PeakType > Struct Template Reference

Helper struct for a collection of mass traces used in FeatureFinderAlgorithmPicked. More...

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

Inheritance diagram for FeatureFinderAlgorithmPickedHelperStructs::MassTraces< PeakType >:

Public Member Functions

 MassTraces ()
 Constructor. More...
 
Size getPeakCount () const
 Returns the peak count of all traces. More...
 
bool isValid (DoubleReal seed_mz, DoubleReal trace_tolerance)
 Checks if still valid (seed still contained and enough traces) More...
 
Size getTheoreticalmaxPosition () const
 Returns the theoretical maximum trace index. More...
 
void updateBaseline ()
 Sets the baseline to the lowest contained peak of the trace. More...
 
std::pair< DoubleReal, DoubleRealgetRTBounds () const
 Returns the RT boundaries of the mass traces. More...
 

Public Attributes

Size max_trace
 Maximum intensity trace. More...
 
DoubleReal baseline
 Estimated baseline in the region of the feature (used for the fit) More...
 
- Public Attributes inherited from vector< T >
elements
 STL member. More...
 

Detailed Description

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

Helper struct for a collection of mass traces used in FeatureFinderAlgorithmPicked.

Constructor & Destructor Documentation

MassTraces ( )
inline

Constructor.

Member Function Documentation

Size getPeakCount ( ) const
inline
std::pair<DoubleReal, DoubleReal> getRTBounds ( ) const
inline

Returns the RT boundaries of the mass traces.

Exceptions
Exception::Preconditionis thrown if there are no mass traces (not only in debug mode)

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::checkFeatureQuality_().

Size getTheoreticalmaxPosition ( ) const
inline

Returns the theoretical maximum trace index.

Exceptions
Exception::Preconditionis thrown if there are not mass traces (not only in debug mode)

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::run().

bool isValid ( DoubleReal  seed_mz,
DoubleReal  trace_tolerance 
)
inline
void updateBaseline ( )
inline

Sets the baseline to the lowest contained peak of the trace.

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::run().

Member Data Documentation

DoubleReal baseline
Size max_trace

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