TransformationDescription.h

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//                   OpenMS -- Open-Source Mass Spectrometry
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2018.
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// $Maintainer: Timo Sachsenberg $
// $Authors: Clemens Groepl, Hendrik Weisser $
// --------------------------------------------------------------------------

#pragma once

#include <OpenMS/DATASTRUCTURES/Param.h>
#include <OpenMS/ANALYSIS/MAPMATCHING/TransformationModel.h>
#include <iostream>

namespace OpenMS
{
  class OPENMS_DLLAPI TransformationDescription
  {
    // friend class MapAlignmentAlgorithm;

public:

    typedef TransformationModel::DataPoint DataPoint;
    typedef TransformationModel::DataPoints DataPoints;

    TransformationDescription();
    explicit TransformationDescription(const DataPoints& data);
    ~TransformationDescription();

    TransformationDescription(const TransformationDescription& rhs);
    TransformationDescription& operator=(const TransformationDescription& rhs);

    void fitModel(const String& model_type, const Param& params = Param());

    double apply(double value) const;

    const String& getModelType() const;

    static void getModelTypes(StringList& result);

    void setDataPoints(const DataPoints& data);

    void setDataPoints(const std::vector<std::pair<double, double> >& data);

    const DataPoints& getDataPoints() const;

    const Param& getModelParameters() const;

    void invert();

    void getDeviations(std::vector<double>& diffs, bool do_apply = false,
                       bool do_sort = true) const;

    void printSummary(std::ostream& os = std::cout) const;

protected:
    DataPoints data_;
    String model_type_;
    TransformationModel* model_;
  };

} // end of namespace OpenMS