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 PeakType * | max_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... | |
Helper struct for mass traces used in FeatureFinderAlgorithmPicked.
| 
 | inline | 
Returns the average m/z of all peaks in this trace (weighted by intensity)
References OpenMS::Math::sum().
| 
 | inline | 
determines the convex hull of the trace
References ConvexHull2D::addPoints().
| 
 | inline | 
Checks if this Trace is valid (has more than 2 points)
Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::cropFeature_(), and FeatureFinderAlgorithmPicked< PeakType, FeatureType >::extendMassTraces_().
| 
 | inline | 
Sets the maximum to the highest contained peak of the trace.
| const PeakType* max_peak | 
Maximum peak pointer.
| DoubleReal max_rt | 
RT of maximum peak.
| std::vector<std::pair<DoubleReal, const PeakType *> > peaks | 
Contained peaks (pair of RT and pointer to peak)
Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::checkFeatureQuality_(), GaussTraceFitter< PeakType >::computeTheoretical(), EGHTraceFitter< PeakType >::computeTheoretical(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::cropFeature_(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::extendMassTrace_(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::extendMassTraces_(), GaussTraceFitter< PeakType >::jacobian_(), EGHTraceFitter< PeakType >::jacobian_(), GaussTraceFitter< PeakType >::residual_(), and EGHTraceFitter< PeakType >::residual_().
| DoubleReal theoretical_int | 
Theoretical intensity value (scaled to [0,1])
Referenced by GaussTraceFitter< PeakType >::computeTheoretical(), EGHTraceFitter< PeakType >::computeTheoretical(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::cropFeature_(), GaussTraceFitter< PeakType >::getGnuplotFormula(), EGHTraceFitter< PeakType >::getGnuplotFormula(), GaussTraceFitter< PeakType >::jacobian_(), EGHTraceFitter< PeakType >::jacobian_(), GaussTraceFitter< PeakType >::residual_(), and EGHTraceFitter< PeakType >::residual_().
| OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:34 using doxygen 1.8.5 |