OpenMS
PeakAlignment.h
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1 // Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Mathias Walzer $
6 // $Authors: $
7 // --------------------------------------------------------------------------
8 //
9 #pragma once
10 
12 #include <vector>
13 
14 namespace OpenMS
15 {
16 
27  class OPENMS_DLLAPI PeakAlignment :
29  {
30 public:
31 
34 
36  PeakAlignment(const PeakAlignment & source);
37 
39  ~PeakAlignment() override;
40 
43 
49  double operator()(const PeakSpectrum & spec1, const PeakSpectrum & spec2) const override;
50 
52  double operator()(const PeakSpectrum & spec) const override;
53 
55  std::vector<std::pair<Size, Size> > getAlignmentTraceback(const PeakSpectrum & spec1, const PeakSpectrum & spec2) const;
56 
57 private:
58 
60  double peakPairScore_(double & pos1, double & intens1, double & pos2, double & intens2, const double & sigma) const;
61 
62 
63  };
64 
65 }
The representation of a 1D spectrum.
Definition: MSSpectrum.h:44
make a PeakAlignment of two PeakSpectra
Definition: PeakAlignment.h:29
double peakPairScore_(double &pos1, double &intens1, double &pos2, double &intens2, const double &sigma) const
calculates the score for aligning two peaks
PeakAlignment(const PeakAlignment &source)
copy constructor
double operator()(const PeakSpectrum &spec1, const PeakSpectrum &spec2) const override
double operator()(const PeakSpectrum &spec) const override
function call operator, calculates self similarity
std::vector< std::pair< Size, Size > > getAlignmentTraceback(const PeakSpectrum &spec1, const PeakSpectrum &spec2) const
make alignment and get the traceback
PeakAlignment()
default constructor
~PeakAlignment() override
destructor
PeakAlignment & operator=(const PeakAlignment &source)
assignment operator
Base class for compare functors of spectra, that return a similarity value for two spectra.
Definition: PeakSpectrumCompareFunctor.h:28
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19