#include <reaction.h>

Public Member Functions
	ReactionSet (std::vector< std::unique_ptr< Reaction > > &&reactions)
	Constructs a ReactionSet from a vector of reactions.

	ReactionSet (const std::vector< Reaction * > &reactions)

	ReactionSet ()

	ReactionSet (const ReactionSet &other)
	Copy constructor.

ReactionSet &	operator= (const ReactionSet &other)
	Copy assignment operator.

void	add_reaction (const Reaction &reaction)
	Adds a reaction to the set.

void	add_reaction (std::unique_ptr< Reaction > &&reaction)

void	extend (const ReactionSet &other)

std::optional< std::unique_ptr< Reaction > >	get (const std::string_view &id) const

void	remove_reaction (const Reaction &reaction)
	Removes a reaction from the set.

bool	contains (const std::string_view &id) const
	Checks if the set contains a reaction with the given ID.

bool	contains (const Reaction &reaction) const
	Checks if the set contains the given reaction.

size_t	size () const
	Gets the number of reactions in the set.

void	clear ()
	Removes all reactions from the set.

bool	contains_species (const fourdst::atomic::Species &species) const
	Checks if any reaction in the set involves the given species.

bool	contains_reactant (const fourdst::atomic::Species &species) const
	Checks if any reaction in the set contains the given species as a reactant.

bool	contains_product (const fourdst::atomic::Species &species) const
	Checks if any reaction in the set contains the given species as a product.

const Reaction &	operator[] (size_t index) const
	Accesses a reaction by its index.

const Reaction &	operator[] (const std::string_view &id) const
	Accesses a reaction by its ID.

bool	operator== (const ReactionSet &other) const
	Compares this set with another for equality.

bool	operator!= (const ReactionSet &other) const
	Compares this set with another for inequality.

uint64_t	hash (uint64_t seed) const
	Computes a hash for the entire set.

std::unordered_set< fourdst::atomic::Species >	getReactionSetSpecies () const

Iterators
Provides iterators to loop over the reactions in the set.
auto	begin ()

auto	begin () const

auto	end ()

auto	end () const

Private Attributes
quill::Logger *	m_logger = fourdst::logging::LogManager::getInstance().getLogger("log")

std::vector< std::unique_ptr< Reaction > >	m_reactions

std::string	m_id

std::unordered_map< std::string, size_t >	m_reactionNameMap
	Maps reaction IDs to Reaction objects for quick lookup.

Friends
std::ostream &	operator<< (std::ostream &os, const ReactionSet &rs)

Constructor & Destructor Documentation

◆ ReactionSet() [1/4]

gridfire::reaction::ReactionSet::ReactionSet ( std::vector< std::unique_ptr< Reaction > > && reactions )

explicit

Constructs a ReactionSet from a vector of reactions.

Parameters

reactions The initial vector of Reaction objects.

◆ ReactionSet() [2/4]

gridfire::reaction::ReactionSet::ReactionSet ( const std::vector< Reaction * > & reactions )

explicit

◆ ReactionSet() [3/4]

gridfire::reaction::ReactionSet::ReactionSet ( )

default

◆ ReactionSet() [4/4]

gridfire::reaction::ReactionSet::ReactionSet ( const ReactionSet & other )

Copy constructor.

Parameters

other The ReactionSet to copy.

Member Function Documentation

◆ add_reaction() [1/2]

void gridfire::reaction::ReactionSet::add_reaction ( const Reaction & reaction )

Adds a reaction to the set.

Parameters

reaction The Reaction to add.

◆ add_reaction() [2/2]

void gridfire::reaction::ReactionSet::add_reaction ( std::unique_ptr< Reaction > && reaction )

◆ begin() [1/2]

auto gridfire::reaction::ReactionSet::begin ( )

inline

◆ begin() [2/2]

auto gridfire::reaction::ReactionSet::begin ( ) const

inlinenodiscard

◆ clear()

void gridfire::reaction::ReactionSet::clear ( )

Removes all reactions from the set.

◆ contains() [1/2]

bool gridfire::reaction::ReactionSet::contains ( const Reaction & reaction ) const

nodiscard

Checks if the set contains the given reaction.

Parameters

reaction The Reaction to find.

Returns: True if the reaction is in the set, false otherwise.

◆ contains() [2/2]

bool gridfire::reaction::ReactionSet::contains ( const std::string_view & id ) const

nodiscard

Checks if the set contains a reaction with the given ID.

Parameters

id	The ID of the reaction to find.

Returns: True if the reaction is in the set, false otherwise.

◆ contains_product()

bool gridfire::reaction::ReactionSet::contains_product ( const fourdst::atomic::Species & species ) const

nodiscard

Checks if any reaction in the set contains the given species as a product.

Parameters

species The species to check for.

Returns: True if the species is a product in any reaction.

◆ contains_reactant()

bool gridfire::reaction::ReactionSet::contains_reactant ( const fourdst::atomic::Species & species ) const

nodiscard

Checks if any reaction in the set contains the given species as a reactant.

Parameters

species The species to check for.

Returns: True if the species is a reactant in any reaction.

◆ contains_species()

bool gridfire::reaction::ReactionSet::contains_species ( const fourdst::atomic::Species & species ) const

nodiscard

Checks if any reaction in the set involves the given species.

Parameters

species The species to check for.

Returns: True if the species is involved in any reaction.

◆ end() [1/2]

auto gridfire::reaction::ReactionSet::end ( )

inline

◆ end() [2/2]

auto gridfire::reaction::ReactionSet::end ( ) const

inlinenodiscard

◆ extend()

void gridfire::reaction::ReactionSet::extend ( const ReactionSet & other )

◆ get()

std::optional< std::unique_ptr< Reaction > > gridfire::reaction::ReactionSet::get ( const std::string_view & id ) const

nodiscard

◆ getReactionSetSpecies()

std::unordered_set< Species > gridfire::reaction::ReactionSet::getReactionSetSpecies ( ) const

nodiscard

◆ hash()

uint64_t gridfire::reaction::ReactionSet::hash ( uint64_t seed ) const

nodiscard

Computes a hash for the entire set.

Parameters

seed	The seed for the hash function.

Returns: A 64-bit hash value.

The algorithm computes the hash of each individual reaction, sorts the hashes, and then computes a final hash over the sorted list of hashes. This ensures the hash is order-independent.

◆ operator!=()

bool gridfire::reaction::ReactionSet::operator!= ( const ReactionSet & other ) const

Compares this set with another for inequality.

Parameters

other The other ReactionSet to compare with.

Returns: True if the sets are not equal.

◆ operator=()

ReactionSet & gridfire::reaction::ReactionSet::operator= ( const ReactionSet & other )

Copy assignment operator.

Parameters

other The ReactionSet to assign from.

Returns: A reference to this ReactionSet.

◆ operator==()

bool gridfire::reaction::ReactionSet::operator== ( const ReactionSet & other ) const

Compares this set with another for equality.

Parameters

other The other ReactionSet to compare with.

Returns: True if the sets are equal (same size and hash).

◆ operator[]() [1/2]

const Reaction & gridfire::reaction::ReactionSet::operator[] ( const std::string_view & id ) const

nodiscard

Accesses a reaction by its ID.

Parameters

id	The ID of the reaction to access.

Returns: A const reference to the Reaction.

Exceptions

std::out_of_range if no reaction with the given ID exists.

◆ operator[]() [2/2]

const Reaction & gridfire::reaction::ReactionSet::operator[] ( size_t index ) const

nodiscard

Accesses a reaction by its index.

Parameters

index The index of the reaction to access.

Returns: A const reference to the Reaction.

Exceptions

std::out_of_range if the index is out of bounds.

◆ remove_reaction()

void gridfire::reaction::ReactionSet::remove_reaction ( const Reaction & reaction )

Removes a reaction from the set.

Parameters

reaction The Reaction to remove.

◆ size()

size_t gridfire::reaction::ReactionSet::size ( ) const

inlinenodiscard

Gets the number of reactions in the set.

Returns: The size of the set.

Friends And Related Symbol Documentation

◆ operator<<

std::ostream & operator<<	(	std::ostream &	os,
		const ReactionSet &	rs )

friend

Member Data Documentation

◆ m_id

std::string gridfire::reaction::ReactionSet::m_id

private

◆ m_logger

quill::Logger* gridfire::reaction::ReactionSet::m_logger = fourdst::logging::LogManager::getInstance().getLogger("log")

private

◆ m_reactionNameMap

std::unordered_map<std::string, size_t> gridfire::reaction::ReactionSet::m_reactionNameMap

private

Maps reaction IDs to Reaction objects for quick lookup.

◆ m_reactions

std::vector<std::unique_ptr<Reaction> > gridfire::reaction::ReactionSet::m_reactions

private

The documentation for this class was generated from the following files:

src/include/gridfire/reaction/reaction.h
src/lib/reaction/reaction.cpp

Public Member Functions

Private Attributes

Friends

Constructor & Destructor Documentation

◆ ReactionSet() [1/4]

◆ ReactionSet() [2/4]

◆ ReactionSet() [3/4]

◆ ReactionSet() [4/4]

Member Function Documentation

◆ add_reaction() [1/2]

◆ add_reaction() [2/2]

◆ begin() [1/2]

◆ begin() [2/2]

◆ clear()

◆ contains() [1/2]

◆ contains() [2/2]

◆ contains_product()

◆ contains_reactant()

◆ contains_species()

◆ end() [1/2]

◆ end() [2/2]

◆ extend()

◆ get()

◆ getReactionSetSpecies()

◆ hash()

◆ operator!=()

◆ operator=()

◆ operator==()

◆ operator[]() [1/2]

◆ operator[]() [2/2]

◆ remove_reaction()

◆ size()

Friends And Related Symbol Documentation

◆ operator<<

Member Data Documentation

◆ m_id

◆ m_logger

◆ m_reactionNameMap

◆ m_reactions