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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 
42 
43 #include <vector>
44 #include <algorithm>
45 #include <iostream>
46 
47 namespace OpenMS
48 {
58 class OPENMS_DLLAPI SplineSpectrum
59 {
60  public:
67  SplineSpectrum(const std::vector<double>& mz, const std::vector<double>& intensity);
68  SplineSpectrum(const std::vector<double>& mz, const std::vector<double>& intensity, double scaling);
69 
74  SplineSpectrum(MSSpectrum<Peak1D>& raw_spectrum);
75  SplineSpectrum(MSSpectrum<Peak1D>& raw_spectrum, double scaling);
76 
80  ~SplineSpectrum();
81 
85  double getMzMin() const;
86 
90  double getMzMax() const;
91 
98  size_t getSplineCount() const;
99 
103  class OPENMS_DLLAPI Navigator
104  {
105  public:
109  Navigator(const std::vector<SplinePackage> * packages, double mzMin, double mzMax);
110 
114  ~Navigator();
115 
120  double eval(double mz);
121 
127  double getNextMz(double mz);
128 
129  private:
130 
132  Navigator();
133 
137  const std::vector<SplinePackage> * packages_;
138 
143 
147  double mz_min_;
148  double mz_max_;
149  };
150 
162  SplineSpectrum::Navigator getNavigator();
163 
164  private:
165 
167  SplineSpectrum();
168 
172  double mz_min_;
173  double mz_max_;
174 
178  std::vector<SplinePackage> packages_;
179 
183  void init_(const std::vector<double>& mz, const std::vector<double>& intensity, double scaling);
184 
185 
186 };
187 
188 }
189 
190 #endif /* SPLINESPECTRUM_H_ */
iterator class for access of spline packages
Definition: SplineSpectrum.h:103
double mz_max_
Definition: SplineSpectrum.h:148
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
double mz_max_
Definition: SplineSpectrum.h:173
std::vector< SplinePackage > packages_
set of spline packages each interpolating in a certain m/z range
Definition: SplineSpectrum.h:178
Data structure for spline interpolation of MS1 spectra.
Definition: SplineSpectrum.h:58
const std::vector< SplinePackage > * packages_
list of spline packages to be accessed
Definition: SplineSpectrum.h:137
double mz_min_
m/z limits of the spectrum
Definition: SplineSpectrum.h:172
double mz_min_
m/z limits of the spectrum
Definition: SplineSpectrum.h:147
size_t last_package_
index of spline package last accessed
Definition: SplineSpectrum.h:142

OpenMS / TOPP release 2.0.0 Documentation generated on Thu Aug 20 2015 01:44:29 using doxygen 1.8.9.1