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SplinePackage.h
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34 
35 #ifndef OPENMS_FILTERING_DATAREDUCTION_SPLINEPACKAGE_H
36 #define OPENMS_FILTERING_DATAREDUCTION_SPLINEPACKAGE_H
37 
41 
42 #include <vector>
43 #include <algorithm>
44 #include <iostream>
45 
46 namespace OpenMS
47 {
57 class OPENMS_DLLAPI SplinePackage
58 {
59 public:
63 SplinePackage(std::vector<double> mz, std::vector<double> intensity, double scaling);
64 
68 ~SplinePackage();
69 
73 double getMzMin() const;
74 
78 double getMzMax() const;
79 
83 double getMzStepWidth() const;
84 
88 bool isInPackage(double mz) const;
89 
93 double eval(double mz) const;
94 
95 private:
99 double mz_min_;
100 double mz_max_;
101 
107 
112 
113 };
114 
115 }
116 
117 #endif /* SPLINEPACKAGE_H_ */
fundamental data structure for SplineSpectrum
Definition: SplinePackage.h:57
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
double mz_step_width_
sensible m/z step width with which to scan through the package (raw data spacing times a scaling fact...
Definition: SplinePackage.h:106
CubicSpline2d spline_
spline object for interpolation of intensity profile
Definition: SplinePackage.h:111
double mz_max_
Definition: SplinePackage.h:100
cubic spline interpolation as described in R.L. Burden, J.D. Faires, Numerical Analysis, 4th ed. PWS-Kent, 1989, ISBN 0-53491-585-X, pp. 126-131.
Definition: CubicSpline2d.h:59
double mz_min_
m/z limits of the package in the raw data spectrum
Definition: SplinePackage.h:99

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