FeatureMapping.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: Oliver Alka $
// $Authors: Oliver Alka $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/KERNEL/BaseFeature.h>
#include <OpenMS/KERNEL/FeatureMap.h>
#include <OpenMS/ANALYSIS/QUANTITATION/KDTreeFeatureMaps.h>
#include <OpenMS/KERNEL/MSExperiment.h>
 
namespace OpenMS
{
 
  class OPENMS_DLLAPI FeatureMapping
  {
    public:
 
    class FeatureMappingInfo
    {
    public:
      std::vector<FeatureMap> feature_maps; 
      KDTreeFeatureMaps kd_tree; 
    };
 
    class FeatureToMs2Indices
    {
    public:
       std::map<const BaseFeature*, std::vector<size_t>> assignedMS2;
       std::vector<size_t> unassignedMS2;
    };
 
    static FeatureToMs2Indices assignMS2IndexToFeature(const MSExperiment& spectra,
                                                       const FeatureMappingInfo& fm_info,
                                                       const double& precursor_mz_tolerance,
                                                       const double& precursor_rt_tolerance,
                                                       bool ppm);
 
  };
} // namespace OpenMS