MS1LabeledFAIMS.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: Timo Sachsenberg $
// $Authors: Timo Sachsenberg $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/KERNEL/ConsensusMap.h>
#include <OpenMS/KERNEL/MSExperiment.h>
#include <map>
#include <optional>
 
namespace OpenMS
{
class IDMapper;
class FeatureGroupingAlgorithmQT;
 
class MS1LabeledFAIMS
{
public:
  using CV = std::optional<double>;
 
  static void annotateCompensationVoltages(const MSExperiment& spectra, PeptideIdentificationList& ids);
 
  static void annotate(IDMapper& mapper, ConsensusMap& map, const PeptideIdentificationList& ids, const std::vector<ProteinIdentification>& proteins);
 
  static void group(FeatureGroupingAlgorithmQT& linker, const std::vector<ConsensusMap>& maps, ConsensusMap& result);
 
private:
  static CV getCV_(const MetaInfoInterface& value);
  static std::map<CV, std::vector<ConsensusMap>> split_(const std::vector<ConsensusMap>& maps);
  static void append_(ConsensusMap& result, ConsensusMap&& part);
};
} // namespace OpenMS