| OpenMS 2.5.0

TransformationModel.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Hendrik Weisser $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/DATASTRUCTURES/Param.h>
38 #include <OpenMS/KERNEL/StandardTypes.h>
39
40 #include <tuple>
41
42 namespace OpenMS
43 {
53 class OPENMS_DLLAPI TransformationModel
54 {
55 public:
57 struct DataPoint
58 {
59 double first, second;
60 String note;
61
62 DataPoint(double first_ = 0.0,
63 double second_ = 0.0,
64 const String& note_ = "") :
65 first(first_),
66 second(second_),
67 note(note_)
68 {}
69
70 DataPoint(const std::pair<double, double>& pair) :
71 first(pair.first),
72 second(pair.second),
73 note("")
74 {}
75
76 bool operator<(const DataPoint& other) const
77 {
78 return (std::tie(first, second, note) <
79 std::tie(other.first, other.second, other.note));
80 }
81
82 bool operator==(const DataPoint& other) const
83 {
84 return (std::tie(first, second, note) ==
85 std::tie(other.first, other.second, other.note));
86 }
87 };
88
90 typedef std::vector<DataPoint> DataPoints;
91
93 TransformationModel() {}
94
97 TransformationModel(const TransformationModel::DataPoints&, const Param&);
98
100 virtual ~TransformationModel();
101
103 virtual double evaluate(double value) const;
104
118 virtual void weightData(DataPoints& data);
119
123 virtual void unWeightData(DataPoints& data);
124
128 bool checkValidWeight(const String& weight, const std::vector<String>& valid_weights) const;
129
137 double checkDatumRange(const double& datum, const double& datum_min, const double& datum_max);
138
142 double weightDatum(const double& datum, const String& weight) const;
143
147 double unWeightDatum(const double& datum, const String& weight) const;
148
150 const Param& getParameters() const;
151
153 std::vector<String> getValidXWeights() const;
154
156 std::vector<String> getValidYWeights() const;
157
159 static void getDefaultParameters(Param& params);
160
161 protected:
163 Param params_;
165 String x_weight_;
166 double x_datum_min_;
167 double x_datum_max_;
169 String y_weight_;
170 double y_datum_min_;
171 double y_datum_max_;
172 bool weighting_;
173
174 private:
176 TransformationModel(const TransformationModel&);
178 const TransformationModel& operator=(const TransformationModel&);
179
180 };
181
182 } // end of namespace OpenMS
183
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::TransformationModel::x_datum_max_
double x_datum_max_
Definition: TransformationModel.h:167
OpenMS::TransformationModel::DataPoint::operator<
bool operator<(const DataPoint &other) const
Definition: TransformationModel.h:76
OpenMS::TransformationModel::DataPoint::DataPoint
DataPoint(double first_=0.0, double second_=0.0, const String &note_="")
Definition: TransformationModel.h:62
OpenMS::TransformationModel::DataPoint::first
double first
Definition: TransformationModel.h:59
OpenMS::TransformationModel::DataPoint::DataPoint
DataPoint(const std::pair< double, double > &pair)
Definition: TransformationModel.h:70
StandardTypes.h
OpenMS::TransformationModel::DataPoint
Coordinate pair (with optional annotation)
Definition: TransformationModel.h:57
OpenMS::TransformationModel::y_datum_min_
double y_datum_min_
Definition: TransformationModel.h:170
OpenMS::TransformationModel::y_weight_
String y_weight_
y weighting
Definition: TransformationModel.h:169
OpenMS::TransformationModel::DataPoints
std::vector< DataPoint > DataPoints
Vector of coordinate pairs.
Definition: TransformationModel.h:90
OpenMS::TransformationModel::TransformationModel
TransformationModel()
Constructor.
Definition: TransformationModel.h:93
OpenMS::TransformationModel::params_
Param params_
Parameters.
Definition: TransformationModel.h:163
OpenMS::TransformationModel
Base class for transformation models.
Definition: TransformationModel.h:53
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::TransformationModel::weighting_
bool weighting_
Definition: TransformationModel.h:172
Param.h
OpenMS::TransformationModel::DataPoint::second
double second
Definition: TransformationModel.h:59
OpenMS::Param
Management and storage of parameters / INI files.
Definition: Param.h:73
OpenMS::TransformationModel::DataPoint::note
String note
Definition: TransformationModel.h:60
OpenMS::TransformationModel::x_weight_
String x_weight_
x weighting
Definition: TransformationModel.h:165
OpenMS::TransformationModel::y_datum_max_
double y_datum_max_
Definition: TransformationModel.h:171
OpenMS::TransformationModel::DataPoint::operator==
bool operator==(const DataPoint &other) const
Definition: TransformationModel.h:82
OpenMS::TransformationModel::x_datum_min_
double x_datum_min_
Definition: TransformationModel.h:166