OpenMS  3.0.0
SplineInterpolatedPeaks.h
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31 // $Maintainer: Lars Nilse $
32 // $Authors: Lars Nilse $
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34 
35 #pragma once
36 
40 
41 #include <vector>
42 
43 namespace OpenMS
44 {
59 class OPENMS_DLLAPI SplineInterpolatedPeaks
60 {
61  public:
68  SplineInterpolatedPeaks(const std::vector<double>& pos, const std::vector<double>& intensity);
69 
74  SplineInterpolatedPeaks(const MSSpectrum& raw_spectrum);
75 
80  SplineInterpolatedPeaks(const MSChromatogram& raw_chromatogram);
81 
86 
90  double getPosMin() const;
91 
95  double getPosMax() const;
96 
104  size_t size() const;
105 
109  class OPENMS_DLLAPI Navigator
110  {
111  public:
118  Navigator(const std::vector<SplinePackage> * packages, double posMax, double scaling);
119 
123  Navigator();
124 
128  ~Navigator();
129 
134  double eval(double pos);
135 
143  double getNextPos(double pos);
144 
145  private:
146 
150  const std::vector<SplinePackage> * packages_;
151 
156 
160  double pos_max_;
161 
172  };
173 
187  SplineInterpolatedPeaks::Navigator getNavigator(double scaling = 0.7);
188 
189  private:
190 
193 
197  double pos_min_;
198  double pos_max_;
199 
203  std::vector<SplinePackage> packages_;
204 
208  void init_(const std::vector<double>& pos, const std::vector<double>& intensity);
209 
210 
211 };
212 
213 }
214 
OpenMS::SplineInterpolatedPeaks::pos_min_
double pos_min_
m/z (or RT) limits of the spectrum
Definition: SplineInterpolatedPeaks.h:197
OpenMS::SplineInterpolatedPeaks::packages_
std::vector< SplinePackage > packages_
set of spline packages each interpolating in a certain m/z (or RT) range
Definition: SplineInterpolatedPeaks.h:203
SplinePackage.h
DRange.h
OpenMS::SplineInterpolatedPeaks::Navigator::last_package_
size_t last_package_
index of spline package last accessed
Definition: SplineInterpolatedPeaks.h:155
OpenMS::SplineInterpolatedPeaks::pos_max_
double pos_max_
Definition: SplineInterpolatedPeaks.h:198
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::SplineInterpolatedPeaks::Navigator::pos_step_width_scaling_
double pos_step_width_scaling_
scaling of the step width
Definition: SplineInterpolatedPeaks.h:171
OpenMS::SplineInterpolatedPeaks::Navigator::pos_max_
double pos_max_
m/z (or RT) limits of the spectrum (or chromatogram)
Definition: SplineInterpolatedPeaks.h:160
OpenMS::SplineInterpolatedPeaks
Data structure for spline interpolation of MS1 spectra and chromatograms.
Definition: SplineInterpolatedPeaks.h:59
OpenMS::SplineInterpolatedPeaks::Navigator
iterator class for access of spline packages
Definition: SplineInterpolatedPeaks.h:109
OpenMS::MSChromatogram
The representation of a chromatogram.
Definition: MSChromatogram.h:53
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
StandardTypes.h
OpenMS::SplineInterpolatedPeaks::Navigator::packages_
const std::vector< SplinePackage > * packages_
list of spline packages to be accessed
Definition: SplineInterpolatedPeaks.h:150