FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern Struct Reference

Helper structure for a theoretical isotope pattern used in FeatureFinderAlgorithmPicked. More...

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

List of all members.

Public Member Functions
Size	size () const
	Returns the size.
Public Attributes
std::vector< DoubleReal >	intensity
	Vector of intensity contributions.
Size	optional_begin
	Number of optional peaks at the beginning of the pattern.
Size	optional_end
	Number of optional peaks at the end of the pattern.
DoubleReal	max
	The maximum intensity contribution before scaling the pattern to 1.
Size	trimmed_left
	The number of isotopes trimmed on the left side. This is needed to reconstruct the monoisotopic peak.

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Detailed Description

Helper structure for a theoretical isotope pattern used in FeatureFinderAlgorithmPicked.

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Member Function Documentation

Size size

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const [inline]

Returns the size.

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

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Member Data Documentation

std::vector<DoubleReal> intensity

Vector of intensity contributions.

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

DoubleReal max

The maximum intensity contribution before scaling the pattern to 1.

Size optional_begin

Number of optional peaks at the beginning of the pattern.

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

Size optional_end

Number of optional peaks at the end of the pattern.

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

Size trimmed_left

The number of isotopes trimmed on the left side. This is needed to reconstruct the monoisotopic peak.

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