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LmaIsotopeModel.h
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34 
35 
36 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_LMAISOTOPEMODEL_H
37 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_LMAISOTOPEMODEL_H
38 
40 
41 namespace OpenMS
42 {
48  class OPENMS_DLLAPI LmaIsotopeModel :
49  public InterpolationModel
50  {
51 
52 public:
53 
56 
57  enum Averagines {C = 0, H, N, O, S, AVERAGINE_NUM};
58 
61 
63  LmaIsotopeModel(const LmaIsotopeModel & source);
64 
66  virtual ~LmaIsotopeModel();
67 
69  virtual LmaIsotopeModel & operator=(const LmaIsotopeModel & source);
70 
72  UInt getCharge();
73 
75  static BaseModel<1> * create()
76  {
77  return new LmaIsotopeModel();
78  }
79 
81  static const String getProductName()
82  {
83  return "LmaIsotopeModel";
84  }
85 
93  void setOffset(CoordinateType offset);
94 
96  CoordinateType getOffset();
97 
99  void setSamples();
100 
104  CoordinateType getCenter() const;
105 
106 protected:
107 
112 
117  DoubleReal averagine_[AVERAGINE_NUM];
121 
122  void updateMembers_();
123  };
124 }
125 
126 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_LMAISOTOPEMODEL_H
CoordinateType total_intensity_
total intensity (area under curve)
Definition: LmaIsotopeModel.h:109
A more convenient string class.
Definition: String.h:56
DoubleReal trim_right_cutoff_
Definition: LmaIsotopeModel.h:119
InterpolationModel::CoordinateType CoordinateType
Definition: LmaIsotopeModel.h:54
Definition: LmaIsotopeModel.h:57
UInt charge_
Definition: LmaIsotopeModel.h:114
static BaseModel< 1 > * create()
create new LmaIsotopeModel object (needed by Factory)
Definition: LmaIsotopeModel.h:75
Isotope distribution approximated using linear interpolation.
Definition: LmaIsotopeModel.h:48
CoordinateType isotope_stdev_
Definition: LmaIsotopeModel.h:113
CoordinateType mean_
Definition: LmaIsotopeModel.h:115
Abstract class for 1D-models that are approximated using linear interpolation.
Definition: InterpolationModel.h:55
DoubleReal isotope_distance_
Definition: LmaIsotopeModel.h:120
static const String getProductName()
name of the model (needed by Factory)
Definition: LmaIsotopeModel.h:81
InterpolationModel::CoordinateType IntensityType
Definition: LmaIsotopeModel.h:55
CoordinateType max_
Definition: LmaIsotopeModel.h:111
CoordinateType min_
Definition: LmaIsotopeModel.h:110
Feature::CoordinateType CoordinateType
Definition: AdditiveSeries.C:52
CoordinateType monoisotopic_mz_
Definition: LmaIsotopeModel.h:116
int Int
Signed integer type.
Definition: Types.h:100
Int max_isotope_
Definition: LmaIsotopeModel.h:118
Averagines
Definition: LmaIsotopeModel.h:57

OpenMS / TOPP release 1.11.1 Documentation generated on Thu Nov 14 2013 11:19:16 using doxygen 1.8.5