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SplineSpectrum.h
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31 // $Maintainer: Lars Nilse $
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34 
35 #ifndef OPENMS_FILTERING_DATAREDUCTION_SPLINESPECTRUM_H
36 #define OPENMS_FILTERING_DATAREDUCTION_SPLINESPECTRUM_H
37 
41 
42 #include <vector>
43 #include <algorithm>
44 #include <iostream>
45 
46 namespace OpenMS
47 {
57 class OPENMS_DLLAPI SplineSpectrum
58 {
59  public:
66  SplineSpectrum(const std::vector<double>& mz, const std::vector<double>& intensity);
67  SplineSpectrum(const std::vector<double>& mz, const std::vector<double>& intensity, double scaling);
68 
73  SplineSpectrum(MSSpectrum& raw_spectrum);
74  SplineSpectrum(MSSpectrum& raw_spectrum, double scaling);
75 
79  ~SplineSpectrum();
80 
84  double getMzMin() const;
85 
89  double getMzMax() const;
90 
97  size_t getSplineCount() const;
98 
102  class OPENMS_DLLAPI Navigator
103  {
104  public:
108  Navigator(const std::vector<SplinePackage> * packages, double mzMin, double mzMax);
109 
113  ~Navigator();
114 
119  double eval(double mz);
120 
126  double getNextMz(double mz);
127 
128  private:
129 
133  const std::vector<SplinePackage> * packages_;
134 
139 
143  double mz_min_;
144  double mz_max_;
145  };
146 
158  SplineSpectrum::Navigator getNavigator();
159 
160  private:
161 
163  SplineSpectrum();
164 
168  double mz_min_;
169  double mz_max_;
170 
174  std::vector<SplinePackage> packages_;
175 
179  void init_(const std::vector<double>& mz, const std::vector<double>& intensity, double scaling);
180 
181 
182 };
183 
184 }
185 
186 #endif /* SPLINESPECTRUM_H_ */
iterator class for access of spline packages
Definition: SplineSpectrum.h:102
double mz_max_
Definition: SplineSpectrum.h:144
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
double mz_max_
Definition: SplineSpectrum.h:169
std::vector< SplinePackage > packages_
set of spline packages each interpolating in a certain m/z range
Definition: SplineSpectrum.h:174
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
Data structure for spline interpolation of MS1 spectra.
Definition: SplineSpectrum.h:57
const std::vector< SplinePackage > * packages_
list of spline packages to be accessed
Definition: SplineSpectrum.h:133
double mz_min_
m/z limits of the spectrum
Definition: SplineSpectrum.h:168
double mz_min_
m/z limits of the spectrum
Definition: SplineSpectrum.h:143
size_t last_package_
index of spline package last accessed
Definition: SplineSpectrum.h:138

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:04 using doxygen 1.8.13