libopenms-dev 1.11.1-5 / usr / include / OpenMS / METADATA / IdentificationHit.h

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//                   OpenMS -- Open-Source Mass Spectrometry
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2013.
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// $Maintainer: Andreas Bertsch $
// $Authors: $
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#ifndef OPENMS_METADATA_IDENTIFICATIONHIT_H
#define OPENMS_METADATA_IDENTIFICATIONHIT_H

#include <OpenMS/METADATA/MetaInfoInterface.h>

namespace OpenMS
{
  /**
    @brief Represents a object which can store the information of an analysisXML instance

        //@todo docu (Andreas)

        @ingroup Metadata
  */
  class OPENMS_DLLAPI IdentificationHit :
    public MetaInfoInterface
  {
public:

    /// @name constructors,destructors,assignment operator
    //@{
    /// default constructor
    IdentificationHit();
    /// destructor
    virtual ~IdentificationHit();
    /// copy constructor
    IdentificationHit(const IdentificationHit & source);
    /// assignment operator
    IdentificationHit & operator=(const IdentificationHit & source);
    /// Equality operator
    bool operator==(const IdentificationHit & rhs) const;
    /// Inequality operator
    bool operator!=(const IdentificationHit & rhs) const;
    //@}

    /// @name Accessors
    //@{
    /// sets the identifier
    void setId(const String & id);

    /// returns the id
    const String & getId() const;

    /// sets the charge state of the peptide
    void setCharge(Int charge);

    /// returns the charge state
    Int getCharge() const;

    /// sets the calculated mass to charge ratio
    void setCalculatedMassToCharge(DoubleReal mz);

    /// returns the calculated mass to charge ratio
    DoubleReal getCalculatedMassToCharge() const;

    /// sets the experimental mass to charge ratio
    void setExperimentalMassToCharge(DoubleReal mz);

    /// returns the experimental mass to charge
    DoubleReal getExperimentalMassToCharge() const;

    /// sets the name
    void setName(const String & name);

    /// returns the name
    const String & getName() const;

    /// sets whether the peptide passed the threshold
    void setPassThreshold(bool pass);

    /// returns whether the peptide passed the threshold
    bool getPassThreshold() const;

    /// set the rank of the peptide
    void setRank(Int rank);

    /// returns the rank of the peptide
    Int getRank() const;
    //@}


protected:

    String id_;                                     ///< identifier
    Int charge_;                                    ///< peptide charge
    DoubleReal calculated_mass_to_charge_;         ///< calculated mass to charge ratio
    DoubleReal experimental_mass_to_charge_;         ///< experimental mass to charge ratio
    String name_;                               ///< name
    bool pass_threshold_;               ///< pass threshold
    Int rank_;                                      ///< rank of the peptide
  };

} //namespace OpenMS
#endif // OPENMS_METADATA_IDENTIFICATIONHIT_H