| OpenMS 2.5.0

SpectrumAlignmentScore.h
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1 // --------------------------------------------------------------------------
2 // OpenMS -- Open-Source Mass Spectrometry
3 // --------------------------------------------------------------------------
4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2020.
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: $
33 // --------------------------------------------------------------------------
34 //
35 #pragma once
36
37 #include <OpenMS/KERNEL/MSSpectrum.h>
38 #include <OpenMS/KERNEL/Peak1D.h>
39 #include <OpenMS/COMPARISON/SPECTRA/SpectrumAlignment.h>
40 #include <OpenMS/DATASTRUCTURES/ListUtils.h>
41 #include <OpenMS/KERNEL/StandardTypes.h>
42 #include <OpenMS/COMPARISON/SPECTRA/PeakSpectrumCompareFunctor.h>
43
44 #include <boost/math/special_functions/erf.hpp>
45 #include <cmath>
46
47 namespace OpenMS
48 {
49
69 class OPENMS_DLLAPI SpectrumAlignmentScore :
70 public PeakSpectrumCompareFunctor
71 {
72 public:
73
74 // @name Constructors and Destructors
75 // @{
77 SpectrumAlignmentScore();
78
80 SpectrumAlignmentScore(const SpectrumAlignmentScore & source);
81
83 ~SpectrumAlignmentScore() override;
84 // @}
85
86 // @name Operators
87 // @{
89 SpectrumAlignmentScore & operator=(const SpectrumAlignmentScore & source);
90
92 double operator()(const PeakSpectrum & spec1, const PeakSpectrum & spec2) const override;
93
94 double operator()(const PeakSpectrum & spec) const override;
95 // @}
96
97 // @name Accessors
98 // @{
100 static PeakSpectrumCompareFunctor * create() { return new SpectrumAlignmentScore(); }
101
103 static const String getProductName()
104 {
105 return "SpectrumAlignmentScore";
106 }
107
108 // @}
109
110 };
111
112 }
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::SpectrumAlignmentScore::getProductName
static const String getProductName()
Definition: SpectrumAlignmentScore.h:103
StandardTypes.h
Peak1D.h
OpenMS::SpectrumAlignmentScore::create
static PeakSpectrumCompareFunctor * create()
Definition: SpectrumAlignmentScore.h:100
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::PeakSpectrumCompareFunctor
Base class for compare functors of spectra, that return a similarity value for two spectra...
Definition: PeakSpectrumCompareFunctor.h:52
PeakSpectrumCompareFunctor.h
MSSpectrum.h
SpectrumAlignment.h
ListUtils.h
OpenMS::SpectrumAlignmentScore
Similarity score via spectra alignment.
Definition: SpectrumAlignmentScore.h:69