ProteinModificationSummary.h

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// Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg $
// $Authors: Timo Sachsenberg $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <map>
#include <OpenMS/CHEMISTRY/ResidueModification.h>
 
namespace OpenMS
{
  struct OPENMS_DLLAPI ProteinModificationSummary
  {
    struct OPENMS_DLLAPI Statistics
    {
      bool operator==(const Statistics& rhs) const;
      size_t count = 0;  
      double frequency = 0.0; 
      double FLR = 0.0; 
      double probability = 0.0; 
    };
 
    bool operator==(const ProteinModificationSummary& rhs) const;
 
    using ModificationsToStatistics = std::map<const ResidueModification*, Statistics>;
    using AALevelModificationSummary = std::map<size_t, ModificationsToStatistics>;
 
    AALevelModificationSummary AALevelSummary;
  };
}