FeatureFinderAlgorithmPickedHelperStructs::MassTraces< PeakType > Struct Template Reference

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

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

Inherits std::vector< MassTrace< PeakType > >.

List of all members.

Public Member Functions
	MassTraces ()
	Constructor.
Size	getPeakCount () const
	Returns the peak count of all traces.
bool	isValid (DoubleReal seed_mz, DoubleReal trace_tolerance)
	Checks if still valid (seed still contained and enough traces).
Size	getTheoreticalmaxPosition () const
	Returns the theoretical maximum trace index.
void	updateBaseline ()
	Sets the baseline to the lowest contained peak of the trace.
std::pair< DoubleReal, DoubleReal >	getRTBounds () const
	Returns the RT boundaries of the mass traces.
Public Attributes
Size	max_trace
	Maximum intensity trace.
DoubleReal	baseline
	Estimated baseline in the region of the feature (used for the fit).

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Detailed Description

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

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

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Constructor & Destructor Documentation

MassTraces

(

)

[inline]

Constructor.

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Member Function Documentation

Size getPeakCount

(

)

const [inline]

Returns the peak count of all traces.

References OpenMS::Math::sum().

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::checkFeatureQuality_(), TraceFitter< PeakType >::optimize_(), and FeatureFinderAlgorithmPicked< PeakType, FeatureType >::writeFeatureDebugInfo_().

std::pair<DoubleReal, DoubleReal> getRTBounds

(

)

const [inline]

Returns the RT boundaries of the mass traces.

Exceptions:

Exception::Precondition

is 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::Precondition

is 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]

Checks if still valid (seed still contained and enough traces).

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

void updateBaseline

(

)

[inline]

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

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

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Member Data Documentation

DoubleReal baseline

Estimated baseline in the region of the feature (used for the fit).

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::checkFeatureQuality_(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::cropFeature_(), GaussTraceFitter< PeakType >::residual_(), EGHTraceFitter< PeakType >::residual_(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::run(), GaussTraceFitter< PeakType >::setInitialParameters_(), EGHTraceFitter< PeakType >::setInitialParameters_(), and FeatureFinderAlgorithmPicked< PeakType, FeatureType >::writeFeatureDebugInfo_().

Size max_trace

Maximum intensity trace.

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::cropFeature_(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::extendMassTraces_(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::run(), GaussTraceFitter< PeakType >::setInitialParameters_(), and EGHTraceFitter< PeakType >::setInitialParameters_().