OpenMS  3.0.0
AbsoluteQuantitationMethod.h
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32 // $Authors: Douglas McCloskey, Pasquale Domenico Colaianni $
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34 
35 #pragma once
36 
37 #include <OpenMS/config.h> // OPENMS_DLLAPI
40 
41 namespace OpenMS
42 {
52  class OPENMS_DLLAPI AbsoluteQuantitationMethod
53  {
54 public:
55  bool operator==(const AbsoluteQuantitationMethod& other) const;
56  bool operator!=(const AbsoluteQuantitationMethod& other) const;
57 
58  void setComponentName(const String& component_name);
59  String getComponentName() const;
60 
61  void setFeatureName(const String& feature_name);
62  String getFeatureName() const;
63 
64  void setISName(const String& IS_name);
65  String getISName() const;
66 
67  void setLLOD(const double llod);
68  double getLLOD() const;
69  void setULOD(const double ulod);
70  double getULOD() const;
71  bool checkLOD(const double value) const;
72 
73  void setLLOQ(const double lloq);
74  double getLLOQ() const;
75  void setULOQ(const double uloq);
76  double getULOQ() const;
77  bool checkLOQ(const double value) const;
78 
79  void setNPoints(const Int n_points);
80  Int getNPoints() const;
81 
82  void setCorrelationCoefficient(const double correlation_coefficient);
83  double getCorrelationCoefficient() const;
84 
85  void setConcentrationUnits(const String& concentration_units);
86  String getConcentrationUnits() const;
87 
88  void setTransformationModel(const String& transformation_model);
89  String getTransformationModel() const;
90 
91  void setTransformationModelParams(const Param& transformation_model_params);
92  Param getTransformationModelParams() const;
93 
94 private:
101  double llod_ { 0.0 };
102  double ulod_ { 0.0 };
103  double lloq_ { 0.0 };
104  double uloq_ { 0.0 };
105  double correlation_coefficient_ { 0.0 };
106  Int n_points_ { 0 };
107  };
108 }
109 
OpenMS::AbsoluteQuantitationMethod::transformation_model_params_
Param transformation_model_params_
transformation model parameters
Definition: AbsoluteQuantitationMethod.h:95
OpenMS::AbsoluteQuantitationMethod::feature_name_
String feature_name_
name of the feature (i.e., peak_apex_int or peak_area)
Definition: AbsoluteQuantitationMethod.h:97
OpenMS::String
A more convenient string class.
Definition: String.h:58
KDTree::operator!=
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
OpenMS::Int
int Int
Signed integer type.
Definition: Types.h:102
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::AbsoluteQuantitationMethod::IS_name_
String IS_name_
the internal standard (IS) name for the transition
Definition: AbsoluteQuantitationMethod.h:98
Param.h
OpenMS::AbsoluteQuantitationMethod::component_name_
String component_name_
id of the component
Definition: AbsoluteQuantitationMethod.h:96
OpenMS::AbsoluteQuantitationMethod
AbsoluteQuantitationMethod is a class to hold information about the quantitation method and for apply...
Definition: AbsoluteQuantitationMethod.h:52
OpenMS::Internal::operator==
bool operator==(const IDBoostGraph::ProteinGroup &lhs, const IDBoostGraph::ProteinGroup &rhs)
OpenMS::AbsoluteQuantitationMethod::concentration_units_
String concentration_units_
concentration units of the component's concentration
Definition: AbsoluteQuantitationMethod.h:99
String.h
OpenMS::AbsoluteQuantitationMethod::transformation_model_
String transformation_model_
transformation model
Definition: AbsoluteQuantitationMethod.h:100
OpenMS::Param
Management and storage of parameters / INI files.
Definition: Param.h:69