ChargePair.h

Go to the documentation of this file.

// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2020.
//
// This software is released under a three-clause BSD license:
//  * Redistributions of source code must retain the above copyright
//    notice, this list of conditions and the following disclaimer.
//  * Redistributions in binary form must reproduce the above copyright
//    notice, this list of conditions and the following disclaimer in the
//    documentation and/or other materials provided with the distribution.
//  * Neither the name of any author or any participating institution
//    may be used to endorse or promote products derived from this software
//    without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
// --------------------------------------------------------------------------
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
// --------------------------------------------------------------------------
// $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