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DIAPrescoring.h
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34 
35 #ifndef OPENMS_ANALYSIS_OPENSWATH_DIAPRESCORING_H
36 #define OPENMS_ANALYSIS_OPENSWATH_DIAPRESCORING_H
37 
38 #include <algorithm>
39 #include <iterator>
40 #include <boost/bind.hpp>
41 #include <boost/lexical_cast.hpp>
42 
46 
48 
49 namespace OpenMS
50 {
65  class OPENMS_DLLAPI DiaPrescore :
66  public DefaultParamHandler
67  {
68  double dia_extract_window_; //done
71 public:
72 
73  DiaPrescore();
74 
75  DiaPrescore(double dia_extract_window, int nr_isotopes = 4, int nr_charges = 4);
76 
77  void defineDefaults();
78 
79  void updateMembers_();
80 
81 
89  void score(OpenSwath::SpectrumPtr spec,
90  const std::vector<OpenSwath::LightTransition>& lt,
91  double& dotprod,
92  double& manhattan);
93 
98  void operator()(OpenSwath::SpectrumAccessPtr swath_ptr,
99  OpenSwath::LightTargetedExperiment& transition_exp_used,
101  };
102 
103 
104 }
105 
106 #endif
boost::shared_ptr< ISpectrumAccess > SpectrumAccessPtr
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:90
boost::shared_ptr< Spectrum > SpectrumPtr
Definition: openswathalgo/include/OpenMS/ANALYSIS/OPENSWATH/OPENSWATHALGO/DATAACCESS/DataStructures.h:244
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
int nr_isotopes_
Definition: DIAPrescoring.h:69
Scoring of an spectrum given library intensities of a transition group.
Definition: DIAPrescoring.h:65
Definition: DataFrameWriter.h:46
double dia_extract_window_
Definition: DIAPrescoring.h:68
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
Definition: TransitionExperiment.h:195
int nr_charges_
Definition: DIAPrescoring.h:70

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:21:59 using doxygen 1.8.13