94 Navigator(
const std::vector<SplinePackage>* packages,
double pos_max,
double scaling);
184 void init_(
const std::vector<double>& pos,
const std::vector<double>& intensity);
The representation of a chromatogram.
Definition: MSChromatogram.h:30
The representation of a 1D spectrum.
Definition: MSSpectrum.h:44
iterator class for access of spline packages
Definition: SplineInterpolatedPeaks.h:84
double getNextPos(double pos)
returns the next sensible m/z (or RT) position for scanning through a spectrum (or chromatogram) (fas...
Navigator(const std::vector< SplinePackage > *packages, double pos_max, double scaling)
constructor of iterator
Navigator()
constructor (for pyOpenMS)
size_t last_package_
index of spline package last accessed
Definition: SplineInterpolatedPeaks.h:131
double pos_step_width_scaling_
scaling of the step width
Definition: SplineInterpolatedPeaks.h:147
const std::vector< SplinePackage > * packages_
list of spline packages to be accessed
Definition: SplineInterpolatedPeaks.h:126
double eval(double pos)
returns spline interpolated intensity at this position (fast access since we can start search from la...
double pos_max_
m/z (or RT) limits of the spectrum (or chromatogram)
Definition: SplineInterpolatedPeaks.h:136
Data structure for spline interpolation of MS1 spectra and chromatograms.
Definition: SplineInterpolatedPeaks.h:34
SplineInterpolatedPeaks(const MSSpectrum &raw_spectrum)
constructor taking an MSSpectrum (and an optional scaling factor for the m/z step width)
SplineInterpolatedPeaks::Navigator getNavigator(double scaling=0.7)
returns an iterator for access of spline packages
double getPosMax() const
returns the maximum m/z (or RT) of the spectrum
size_t size() const
Get number of spline packages found during initialization.
~SplineInterpolatedPeaks()
destructor
SplineInterpolatedPeaks(const std::vector< double > &pos, const std::vector< double > &intensity)
constructor taking two vectors (and an optional scaling factor for the m/z (or RT) step width)
void init_(const std::vector< double > &pos, const std::vector< double > &intensity)
section common for all constructors
SplineInterpolatedPeaks(const MSChromatogram &raw_chromatogram)
constructor taking an MSChromatogram (and an optional scaling factor for the RT step width)
std::vector< SplinePackage > packages_
set of spline packages each interpolating in a certain m/z (or RT) range
Definition: SplineInterpolatedPeaks.h:179
SplineInterpolatedPeaks()
hide default C'tor
double pos_max_
Definition: SplineInterpolatedPeaks.h:174
double getPosMin() const
returns the minimum m/z (or RT) of the spectrum
double pos_min_
m/z (or RT) limits of the spectrum
Definition: SplineInterpolatedPeaks.h:173
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19