TransformationModelLowess.h

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// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $Maintainer: Hannes Roest $
// $Authors: Hannes Roest $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/config.h> // is this needed?
#include <OpenMS/ANALYSIS/MAPMATCHING/TransformationModel.h>
#include <OpenMS/ANALYSIS/MAPMATCHING/TransformationModelInterpolated.h>
 
namespace OpenMS
{
 
  class OPENMS_DLLAPI TransformationModelLowess :
    public TransformationModel
  {
public:
    TransformationModelLowess(const DataPoints& data, const Param& params);
 
    ~TransformationModelLowess() override;
 
    double evaluate(double value) const override
    {
      return model_->evaluate(value);
    }
 
    using TransformationModel::getParameters;
 
    static void getDefaultParameters(Param& params);
 
private:
  // Hide helper utilities from public API. Defined in the .cpp.
 
 
  static std::vector<double> buildSpanGrid(Size n_pts,
                                           const std::vector<double>& candidate_spans,
                                           double span_min_param,
                                           double span_max_param,
                                           int min_neighbors);
 
  enum class CVMetric
  {
    RMSE,
    MAE,
    P90,
    P95,
    P99,
    SIZE_OF_CVMETRIC
  };
  static const std::array<std::string, (Size)CVMetric::SIZE_OF_CVMETRIC> names_of_cvmetric;
 
  static double scoreResiduals(const std::vector<double>& errs, CVMetric metric);
 
  static constexpr double kTieTol = 1e-12;
 
 
 
protected:
    TransformationModelInterpolated* model_;
 
  };
} // namespace