OpenMS  3.0.0
DIAPrescoring.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Witold Wolski $
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34 
35 #pragma once
36 
40 
42 
43 namespace OpenMS
44 {
59  class OPENMS_DLLAPI DiaPrescore :
60  public DefaultParamHandler
61  {
62  double dia_extract_window_; //done
65 public:
66 
67  DiaPrescore();
68 
69  DiaPrescore(double dia_extract_window, int nr_isotopes = 4, int nr_charges = 4);
70 
71  void defineDefaults();
72 
73  void updateMembers_() override;
74 
82  void score(OpenSwath::SpectrumPtr spec,
83  const std::vector<OpenSwath::LightTransition>& lt,
84  double& dotprod,
85  double& manhattan) const;
86 
91  void operator()(OpenSwath::SpectrumAccessPtr swath_ptr,
92  OpenSwath::LightTargetedExperiment& transition_exp_used,
93  OpenSwath::IDataFrameWriter* ivw) const;
94  };
95 
96 
97 }
98 
DefaultParamHandler.h
DataFrameWriter.h
TransitionExperiment.h
ISpectrumAccess.h
OpenMS::DiaPrescore::nr_charges_
int nr_charges_
Definition: DIAPrescoring.h:64
OpenMS::DiaPrescore::dia_extract_window_
double dia_extract_window_
Definition: DIAPrescoring.h:62
OpenSwath::LightTargetedExperiment
Definition: TransitionExperiment.h:218
OpenMS::DefaultParamHandler
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::DiaPrescore
Scoring of an spectrum given library intensities of a transition group.
Definition: DIAPrescoring.h:59
OpenSwath::SpectrumAccessPtr
boost::shared_ptr< ISpectrumAccess > SpectrumAccessPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:87
OpenSwath::SpectrumPtr
boost::shared_ptr< Spectrum > SpectrumPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:296
OpenMS::DiaPrescore::nr_isotopes_
int nr_isotopes_
Definition: DIAPrescoring.h:63
OpenSwath::IDataFrameWriter
Definition: DataFrameWriter.h:45