OpenMS  3.0.0
ExtendedIsotopeModel.h
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31 // $Maintainer: Timo Sachsenberg $
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34 
35 
36 #pragma once
37 
39 
40 namespace OpenMS
41 {
55  class OPENMS_DLLAPI ExtendedIsotopeModel :
56  public InterpolationModel
57  {
58 
59 public:
62 
63  enum Averagines {C = 0, H, N, O, S, AVERAGINE_NUM};
64 
67 
70 
72  ~ExtendedIsotopeModel() override;
73 
75  virtual ExtendedIsotopeModel & operator=(const ExtendedIsotopeModel & source);
76 
77  UInt getCharge() const;
78 
80  static BaseModel<1> * create()
81  {
82  return new ExtendedIsotopeModel();
83  }
84 
86  static const String getProductName()
87  {
88  return "ExtendedIsotopeModel";
89  }
90 
98  void setOffset(CoordinateType offset) override;
99 
100  CoordinateType getOffset();
101 
103  void setSamples() override;
104 
107  CoordinateType getCenter() const override;
108 
109 protected:
113  double averagine_[AVERAGINE_NUM];
117 
118  void updateMembers_() override;
119  };
120 }
121 
OpenMS::ExtendedIsotopeModel::Averagines
Averagines
Definition: ExtendedIsotopeModel.h:63
double
OpenMS::ExtendedIsotopeModel::monoisotopic_mz_
CoordinateType monoisotopic_mz_
Definition: ExtendedIsotopeModel.h:112
OpenMS::ExtendedIsotopeModel::trim_right_cutoff_
double trim_right_cutoff_
Definition: ExtendedIsotopeModel.h:115
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::ExtendedIsotopeModel::max_isotope_
Int max_isotope_
Definition: ExtendedIsotopeModel.h:114
OpenMS::ExtendedIsotopeModel
Extended isotope distribution approximated using linear interpolation.
Definition: ExtendedIsotopeModel.h:55
OpenMS::ExtendedIsotopeModel::create
static BaseModel< 1 > * create()
create new ExtendedIsotopeModel object (needed by Factory)
Definition: ExtendedIsotopeModel.h:80
OpenMS::Int
int Int
Signed integer type.
Definition: Types.h:102
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::ExtendedIsotopeModel::isotope_stdev_
CoordinateType isotope_stdev_
Definition: ExtendedIsotopeModel.h:110
OpenMS::ExtendedIsotopeModel::isotope_distance_
double isotope_distance_
Definition: ExtendedIsotopeModel.h:116
OpenMS::InterpolationModel
Abstract class for 1D-models that are approximated using linear interpolation.
Definition: InterpolationModel.h:54
OpenMS::UInt
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
InterpolationModel.h
OpenMS::ExtendedIsotopeModel::IntensityType
InterpolationModel::CoordinateType IntensityType
Definition: ExtendedIsotopeModel.h:61
OpenMS::ExtendedIsotopeModel::CoordinateType
InterpolationModel::CoordinateType CoordinateType
Definition: ExtendedIsotopeModel.h:60
OpenMS::ExtendedIsotopeModel::getProductName
static const String getProductName()
name of the model (needed by Factory)
Definition: ExtendedIsotopeModel.h:86
OpenMS::ExtendedIsotopeModel::S
Definition: ExtendedIsotopeModel.h:63
OpenMS::ExtendedIsotopeModel::charge_
UInt charge_
Definition: ExtendedIsotopeModel.h:111
OpenMS::BaseModel< 1 >