MassDecomposition.h

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// $Maintainer: Sandro Andreotti $
// $Authors: Andreas Bertsch $
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#ifndef OPENMS_CHEMISTRY_MASSDECOMPOSITION_MASSDECOMPOSITION_H
#define OPENMS_CHEMISTRY_MASSDECOMPOSITION_MASSDECOMPOSITION_H

#include <OpenMS/DATASTRUCTURES/Map.h>
#include <OpenMS/DATASTRUCTURES/String.h>

namespace OpenMS
{
  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:
    Map<char, Size> decomp_;
    Size number_of_max_aa_;
  };
} // namespace OpenMS

#endif // OPENMS_CHEMISTRY_MASSDECOMPOSITION_MASSDECOMPOSITION_H