OpenMS
TransformationDescription.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Clemens Groepl, Hendrik Weisser $
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34 
35 #pragma once
36 
40 #include <iosfwd>
41 #include <map>
42 
43 namespace OpenMS
44 {
62  class OPENMS_DLLAPI TransformationDescription
63  {
64  // friend class MapAlignmentAlgorithm;
65 
66 public:
67 
73  {
74  // default constructor
76 
77  // copy constructor
79 
80  // copy assignment
82 
83  std::vector<Size> percents = {100, 99, 95, 90, 75, 50, 25}; // TODO: use constexpr array
84  double xmin = 0;
85  double xmax = 0;
86  double ymin = 0;
87  double ymax = 0;
88 
89  std::map<Size, double> percentiles_before;
90  std::map<Size, double> percentiles_after;
91  };
92 
93 
98 
101 
103  explicit TransformationDescription(const DataPoints& data);
104 
107 
112 
114  void fitModel(const String& model_type, const Param& params = Param());
115 
122  double apply(double value) const;
123 
125  const String& getModelType() const;
126 
128  static void getModelTypes(StringList& result);
129 
135  void setDataPoints(const DataPoints& data);
136 
142  void setDataPoints(const std::vector<std::pair<double, double> >& data);
143 
145  const DataPoints& getDataPoints() const;
146 
148  const Param& getModelParameters() const;
149 
151  void invert();
152 
160  void getDeviations(std::vector<double>& diffs, bool do_apply = false,
161  bool do_sort = true) const;
162 
165 
167  void printSummary(std::ostream& os) const;
168 
169 protected:
176  };
177 
178 } // end of namespace OpenMS
179 
Management and storage of parameters / INI files.
Definition: Param.h:70
A more convenient string class.
Definition: String.h:60
Generic description of a coordinate transformation.
Definition: TransformationDescription.h:63
void setDataPoints(const DataPoints &data)
Sets the data points.
TransformationDescription()
Default constructor.
void getDeviations(std::vector< double > &diffs, bool do_apply=false, bool do_sort=true) const
Get the deviations between the data pairs.
TransformationStatistics getStatistics() const
Get summary statistics (ranges and errors before/after)
void printSummary(std::ostream &os) const
Print summary statistics for the transformation.
String model_type_
Type of model.
Definition: TransformationDescription.h:173
DataPoints data_
Data points.
Definition: TransformationDescription.h:171
static void getModelTypes(StringList &result)
Gets the possible types of models.
double apply(double value) const
Applies the transformation to value.
TransformationDescription & operator=(const TransformationDescription &rhs)
Assignment operator.
TransformationDescription(const DataPoints &data)
Constructor from data.
void setDataPoints(const std::vector< std::pair< double, double > > &data)
Sets the data points (backwards-compatible overload)
void fitModel(const String &model_type, const Param &params=Param())
Fits a model to the data.
void invert()
Computes an (approximate) inverse of the transformation.
TransformationModel::DataPoint DataPoint
Coordinate pair.
Definition: TransformationDescription.h:95
TransformationDescription(const TransformationDescription &rhs)
Copy constructor.
const String & getModelType() const
Gets the type of the fitted model.
TransformationModel::DataPoints DataPoints
Vector of coordinate pairs.
Definition: TransformationDescription.h:97
const Param & getModelParameters() const
Non-mutable access to the model parameters.
const DataPoints & getDataPoints() const
Returns the data points.
TransformationModel * model_
Pointer to model.
Definition: TransformationDescription.h:175
Base class for transformation models.
Definition: TransformationModel.h:55
std::vector< DataPoint > DataPoints
Vector of coordinate pairs.
Definition: TransformationModel.h:91
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48
Summary statistics before/after applying the transformation. For deviations before/after transformati...
Definition: TransformationDescription.h:73
std::map< Size, double > percentiles_after
percentiles of x/y deviations after transformation
Definition: TransformationDescription.h:90
TransformationStatistics & operator=(const TransformationStatistics &rhs)=default
TransformationStatistics(const TransformationStatistics &rhs)=default
std::map< Size, double > percentiles_before
percentiles of x/y deviations before transformation
Definition: TransformationDescription.h:89
Coordinate pair (with optional annotation)
Definition: TransformationModel.h:59