ChargePair.h

Go to the documentation of this file.

// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $Maintainer: Chris Bielow $
// $Authors: $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/CONCEPT/HashUtils.h>
#include <OpenMS/DATASTRUCTURES/Compomer.h>
#include <OpenMS/CONCEPT/Types.h>
#include <OpenMS/OpenMSConfig.h>
 
#include <functional>
#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);
 
    Int getMolMultiplier(UInt pairID) const;
 
    void setMolMultiplier(UInt pairID, Int m);
 
 
    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_;
    Int feature0_mol_multiplier_;
    Int feature1_mol_multiplier_;
  };
 
  OPENMS_DLLAPI std::ostream& operator<<(std::ostream& os, const ChargePair& cons);
 
} // namespace OpenMS
 
// Hash function specialization for ChargePair
// Note: Only hash fields used in operator== (feature0_index_, feature1_index_,
// feature0_charge_, feature1_charge_, compomer_, mass_diff_, is_active_,
// feature0_mol_multiplier_, feature1_mol_multiplier_)
// Do NOT hash score_ as it is not compared in operator==
namespace std
{
  template<>
  struct hash<OpenMS::ChargePair>
  {
    std::size_t operator()(const OpenMS::ChargePair& cp) const noexcept
    {
      std::size_t seed = OpenMS::hash_int(cp.getElementIndex(0));
      OpenMS::hash_combine(seed, OpenMS::hash_int(cp.getElementIndex(1)));
      OpenMS::hash_combine(seed, OpenMS::hash_int(cp.getCharge(0)));
      OpenMS::hash_combine(seed, OpenMS::hash_int(cp.getCharge(1)));
      OpenMS::hash_combine(seed, std::hash<OpenMS::Compomer>{}(cp.getCompomer()));
      OpenMS::hash_combine(seed, OpenMS::hash_float(cp.getMassDiff()));
      OpenMS::hash_combine(seed, OpenMS::hash_int(static_cast<int>(cp.isActive())));
      OpenMS::hash_combine(seed, OpenMS::hash_int(cp.getMolMultiplier(0)));
      OpenMS::hash_combine(seed, OpenMS::hash_int(cp.getMolMultiplier(1)));
      return seed;
    }
  };
} // namespace std