MassDecomposition.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: Andreas Bertsch $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/config.h>
#include <OpenMS/CONCEPT/Types.h>
 
#include <map>
 
namespace OpenMS
{
  class String;
 
  class OPENMS_DLLAPI MassDecomposition
  {
public:
 
    MassDecomposition();
 
    MassDecomposition(const MassDecomposition& deco);
 
    explicit MassDecomposition(const String& deco);
 
    MassDecomposition& operator=(const MassDecomposition& rhs);
 
    MassDecomposition& operator+=(const MassDecomposition& d);
 
    String toString() const;
 
    String toExpandedString() const;
 
    MassDecomposition operator+(const MassDecomposition& rhs) const;
 
    Size getNumberOfMaxAA() const;
 
    bool operator<(const MassDecomposition& rhs) const;
 
    bool operator==(const String& deco) const;
 
    bool containsTag(const String& tag) const;
 
    bool compatible(const MassDecomposition& deco) const;
 
protected:
    std::map<char, Size> decomp_;
    Size number_of_max_aa_;
  };
} // namespace OpenMS