ChargePair.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: Chris Bielow $
// $Authors: $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/DATASTRUCTURES/Compomer.h>
#include <OpenMS/CONCEPT/Types.h>
#include <OpenMS/OpenMSConfig.h>
 
#include <iosfwd>
#include <vector>
 
namespace OpenMS
{
 
  class OPENMS_DLLAPI ChargePair
  {
 
public:
 
    ChargePair();
 
    ChargePair(const Size& index0,
               const Size& index1,
               const Int& charge0,
               const Int& charge1,
               const Compomer& compomer,
               const double& mass_diff,
               const bool active);
 
    ChargePair(const ChargePair& rhs);
 
    ChargePair& operator=(const ChargePair& rhs);
 
    virtual ~ChargePair() = default;
 
 
    //@name Accessors
    Int getCharge(UInt pairID) const;
 
    void setCharge(UInt pairID, Int e);
 
    Size getElementIndex(UInt pairID) const;
 
    void setElementIndex(UInt pairID, Size e);
 
    const Compomer& getCompomer() const;
 
    void setCompomer(const Compomer& compomer);
 
    double getMassDiff() const;
 
    void setMassDiff(double mass_diff);
 
    double getEdgeScore() const;
 
    void setEdgeScore(double score);
 
    bool isActive() const;
 
    void setActive(const bool active);
 
 
    virtual bool operator==(const ChargePair& i) const;
 
    virtual bool operator!=(const ChargePair& i) const;
 
protected:
 
    Size feature0_index_;
    Size feature1_index_;
    Int feature0_charge_;
    Int feature1_charge_;
    Compomer compomer_;
    double mass_diff_;
    double score_;
    bool is_active_;
  };
 
  OPENMS_DLLAPI std::ostream& operator<<(std::ostream& os, const ChargePair& cons);
 
} // namespace OpenMS