MassDecomposition.h

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//                   OpenMS -- Open-Source Mass Spectrometry
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// $Maintainer: Timo Sachsenberg $
// $Authors: Andreas Bertsch $
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#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