Observation.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: Hendrik Weisser $
// $Authors: Hendrik Weisser $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/METADATA/ID/IDDataContainer.h>
 
#include <OpenMS/METADATA/ID/InputFile.h>
#include <OpenMS/METADATA/ID/MetaData.h>
#include <OpenMS/METADATA/MetaInfoInterface.h>
 
 
namespace OpenMS
{
  namespace IdentificationDataInternal
  {
    struct Observation: public MetaInfoInterface
    {
      std::string data_id;
 
      InputFileRef input_file;
 
      double rt, mz; //< Position
 
      explicit Observation(
        const std::string& data_id,
        const InputFileRef& input_file,
        double rt = std::numeric_limits<double>::quiet_NaN(),
        double mz = std::numeric_limits<double>::quiet_NaN()):
        data_id(data_id), input_file(input_file), rt(rt), mz(mz)
      {
      }
 
      Observation& merge(const Observation& other)
      {
        // merge meta info - existing entries may be overwritten:
        addMetaValues(other);
        rt = other.rt;
        mz = other.mz;
        return *this;
      }
    };
 
    // combination of input file and data ID must be unique:
    using Observations = IDDataContainer<Observation, std::tuple<InputFileRef, std::string>, InputFileRef, &Observation::input_file, &Observation::data_id>;
    typedef IteratorWrapper<Observations::iterator> ObservationRef;
  }
}