OpenMS  2.5.0
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 #include <algorithm>
43 #include <iostream>
44 
45 namespace OpenMS
46 {
61 class OPENMS_DLLAPI SplineInterpolatedPeaks
62 {
63  public:
70  SplineInterpolatedPeaks(const std::vector<double>& pos, const std::vector<double>& intensity);
71 
76  SplineInterpolatedPeaks(const MSSpectrum& raw_spectrum);
77 
82  SplineInterpolatedPeaks(const MSChromatogram& raw_chromatogram);
83 
88 
92  double getPosMin() const;
93 
97  double getPosMax() const;
98 
106  size_t size() const;
107 
111  class OPENMS_DLLAPI Navigator
112  {
113  public:
120  Navigator(const std::vector<SplinePackage> * packages, double posMin, double posMax, double scaling);
121 
125  Navigator();
126 
130  ~Navigator();
131 
136  double eval(double pos);
137 
145  double getNextPos(double pos);
146 
147  private:
148 
152  const std::vector<SplinePackage> * packages_;
153 
158 
162  double pos_min_;
163  double pos_max_;
164 
175  };
176 
190  SplineInterpolatedPeaks::Navigator getNavigator(double scaling = 0.7);
191 
192  private:
193 
196 
200  double pos_min_;
201  double pos_max_;
202 
206  std::vector<SplinePackage> packages_;
207 
211  void init_(const std::vector<double>& pos, const std::vector<double>& intensity);
212 
213 
214 };
215 
216 }
217 
OpenMS::SplineInterpolatedPeaks::pos_min_
double pos_min_
m/z (or RT) limits of the spectrum
Definition: SplineInterpolatedPeaks.h:200
OpenMS::SplineInterpolatedPeaks::packages_
std::vector< SplinePackage > packages_
set of spline packages each interpolating in a certain m/z (or RT) range
Definition: SplineInterpolatedPeaks.h:206
SplinePackage.h
DRange.h
OpenMS::SplineInterpolatedPeaks::Navigator::last_package_
size_t last_package_
index of spline package last accessed
Definition: SplineInterpolatedPeaks.h:157
OpenMS::SplineInterpolatedPeaks::pos_max_
double pos_max_
Definition: SplineInterpolatedPeaks.h:201
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::SplineInterpolatedPeaks::Navigator::pos_step_width_scaling_
double pos_step_width_scaling_
scaling of the step width
Definition: SplineInterpolatedPeaks.h:174
OpenMS::SplineInterpolatedPeaks::Navigator::pos_max_
double pos_max_
Definition: SplineInterpolatedPeaks.h:163
OpenMS::SplineInterpolatedPeaks
Data structure for spline interpolation of MS1 spectra and chromatograms.
Definition: SplineInterpolatedPeaks.h:61
OpenMS::SplineInterpolatedPeaks::Navigator
iterator class for access of spline packages
Definition: SplineInterpolatedPeaks.h:111
OpenMS::SplineInterpolatedPeaks::Navigator::pos_min_
double pos_min_
m/z (or RT) limits of the spectrum (or chromatogram)
Definition: SplineInterpolatedPeaks.h:162
OpenMS::MSChromatogram
The representation of a chromatogram.
Definition: MSChromatogram.h:54
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
StandardTypes.h
OpenMS::SplineInterpolatedPeaks::Navigator::packages_
const std::vector< SplinePackage > * packages_
list of spline packages to be accessed
Definition: SplineInterpolatedPeaks.h:152