TransformationModel.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2023.
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// $Maintainer: Timo Sachsenberg $
// $Authors: Hendrik Weisser $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/DATASTRUCTURES/Param.h>
#include <OpenMS/DATASTRUCTURES/String.h>
#include <OpenMS/KERNEL/StandardTypes.h>
 
#include <tuple>
 
namespace OpenMS
{
  class OPENMS_DLLAPI TransformationModel
  {
  public:
    struct DataPoint
    {
      double first, second;
      String note;
 
      DataPoint(double first_ = 0.0,
                double second_ = 0.0,
                const String& note_ = "") :
        first(first_),
        second(second_),
        note(note_)
      {}
 
      DataPoint(const std::pair<double, double>& pair) :
        first(pair.first),
        second(pair.second),
        note("")
      {}
 
      bool operator<(const DataPoint& other) const
      {
        return (std::tie(first, second, note) <
                std::tie(other.first, other.second, other.note));
      }
 
      bool operator==(const DataPoint& other) const
      {
        return (std::tie(first, second, note) ==
                std::tie(other.first, other.second, other.note));
      }
    };
 
    typedef std::vector<DataPoint> DataPoints;
 
    TransformationModel() {}
 
    TransformationModel(const TransformationModel::DataPoints&, const Param&);
 
    virtual ~TransformationModel();
 
    virtual double evaluate(double value) const;
    
    virtual void weightData(DataPoints& data);
     
    virtual void unWeightData(DataPoints& data);
    
    bool checkValidWeight(const String& weight, const std::vector<String>& valid_weights) const;
 
    double checkDatumRange(const double& datum, const double& datum_min, const double& datum_max);
 
    double weightDatum(const double& datum, const String& weight) const;
 
    double unWeightDatum(const double& datum, const String& weight) const;
 
    const Param& getParameters() const;
 
    std::vector<String> getValidXWeights() const;
 
    std::vector<String> getValidYWeights() const;
 
    static void getDefaultParameters(Param& params);
 
  protected:
    Param params_;
    String x_weight_;
    double x_datum_min_;
    double x_datum_max_;
    String y_weight_;
    double y_datum_min_;
    double y_datum_max_;
    bool weighting_;
 
  private:
    TransformationModel(const TransformationModel&);
    const TransformationModel& operator=(const TransformationModel&);
 
  };
 
} // end of namespace OpenMS