| OpenMS 2.5.0

AbsoluteQuantitationMethod.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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31 // $Maintainer: Douglas McCloskey, Pasquale Domenico Colaianni $
32 // $Authors: Douglas McCloskey, Pasquale Domenico Colaianni $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/config.h> // OPENMS_DLLAPI
38 #include <OpenMS/DATASTRUCTURES/String.h>
39 #include <OpenMS/DATASTRUCTURES/Param.h>
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:
95 Param transformation_model_params_;
96 String component_name_;
97 String feature_name_;
98 String IS_name_;
99 String concentration_units_;
100 String transformation_model_;
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::String
A more convenient string class.
Definition: String.h:58
OpenMS::AbsoluteQuantitationMethod::IS_name_
String IS_name_
the internal standard (IS) name for the transition
Definition: AbsoluteQuantitationMethod.h:98
KDTree::operator!=
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
OpenMS::AbsoluteQuantitationMethod::transformation_model_
String transformation_model_
transformation model
Definition: AbsoluteQuantitationMethod.h:100
OpenMS::AbsoluteQuantitationMethod::component_name_
String component_name_
id of the component
Definition: AbsoluteQuantitationMethod.h:96
String.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::AbsoluteQuantitationMethod::transformation_model_params_
Param transformation_model_params_
transformation model parameters
Definition: AbsoluteQuantitationMethod.h:95
Param.h
OpenMS::AbsoluteQuantitationMethod::feature_name_
String feature_name_
name of the feature (i.e., peak_apex_int or peak_area)
Definition: AbsoluteQuantitationMethod.h:97
OpenMS::Param
Management and storage of parameters / INI files.
Definition: Param.h:73
OpenMS::AbsoluteQuantitationMethod
AbsoluteQuantitationMethod is a class to hold information about the quantitation method and for apply...
Definition: AbsoluteQuantitationMethod.h:52
int
OpenMS::AbsoluteQuantitationMethod::concentration_units_
String concentration_units_
concentration units of the component&#39;s concentration
Definition: AbsoluteQuantitationMethod.h:99
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806