ModificationDefinition.h

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// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg $
// $Authors: $
// --------------------------------------------------------------------------
//
 
#pragma once
 
#include <OpenMS/CONCEPT/Types.h>
#include <OpenMS/CONCEPT/HashUtils.h>
#include <OpenMS/DATASTRUCTURES/String.h>
#include <OpenMS/CHEMISTRY/ResidueModification.h>
 
#include <cstdint>
#include <functional>
 
namespace OpenMS
{
  class OPENMS_DLLAPI ModificationDefinition
  {
public:
 
    ModificationDefinition();
 
    ModificationDefinition(const ModificationDefinition& rhs);
 
    explicit ModificationDefinition(const String& mod, bool fixed = true, UInt max_occur = 0);
 
    explicit ModificationDefinition(const ResidueModification& mod, bool fixed = true, UInt max_occur = 0);
 
    virtual ~ModificationDefinition();
 
    void setFixedModification(bool fixed);
 
    bool isFixedModification() const;
 
    void setMaxOccurrences(UInt num);
 
    UInt getMaxOccurrences() const;
 
    String getModificationName() const;
 
    void setModification(const String& modification);
 
    const ResidueModification& getModification() const;
 
    ModificationDefinition& operator=(const ModificationDefinition& element);
 
    bool operator==(const ModificationDefinition& rhs) const;
 
    bool operator!=(const ModificationDefinition& rhs) const;
 
    bool operator<(const OpenMS::ModificationDefinition&) const;
 
protected:
 
    const ResidueModification* mod_;
 
    bool fixed_modification_;
 
    UInt max_occurrences_;
  };
 
} // namespace OpenMS
 
namespace std
{
  template<>
  struct hash<OpenMS::ModificationDefinition>
  {
    std::size_t operator()(const OpenMS::ModificationDefinition& md) const noexcept
    {
      // Hash the modification pointer as uintptr_t (matches pointer comparison in operator==)
      std::size_t seed = OpenMS::hash_int(reinterpret_cast<std::uintptr_t>(&md.getModification()));
      // Hash fixed_modification_ flag
      OpenMS::hash_combine(seed, OpenMS::hash_int(static_cast<int>(md.isFixedModification())));
      // Hash max_occurrences_
      OpenMS::hash_combine(seed, OpenMS::hash_int(md.getMaxOccurrences()));
      return seed;
    }
  };
} // namespace std