TransformationModel.h

Go to the documentation of this file.

// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2018.
//
// This software is released under a three-clause BSD license:
//  * Redistributions of source code must retain the above copyright
//    notice, this list of conditions and the following disclaimer.
//  * Redistributions in binary form must reproduce the above copyright
//    notice, this list of conditions and the following disclaimer in the
//    documentation and/or other materials provided with the distribution.
//  * Neither the name of any author or any participating institution
//    may be used to endorse or promote products derived from this software
//    without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
// --------------------------------------------------------------------------
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg $
// $Authors: Hendrik Weisser $
// --------------------------------------------------------------------------

#pragma once

#include <OpenMS/DATASTRUCTURES/Param.h>
#include <OpenMS/KERNEL/StandardTypes.h>

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