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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
14namespace OpenMS
15{
16
27 class OPENMS_DLLAPI PeakAlignment :
29 {
30public:
31
34
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
57private:
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
PeakAlignment & operator=(const PeakAlignment &source)
assignment operator
PeakAlignment()
default constructor
std::vector< std::pair< Size, Size > > getAlignmentTraceback(const PeakSpectrum &spec1, const PeakSpectrum &spec2) const
make alignment and get the traceback
~PeakAlignment() override
destructor
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