#include <reaction.h>

Public Member Functions
	TemplatedReactionSet (std::vector< ReactionT > reactions)
	Constructs a ReactionSet from a vector of reactions.

	TemplatedReactionSet ()

	TemplatedReactionSet (const TemplatedReactionSet< ReactionT > &other)
	Copy constructor.

TemplatedReactionSet< ReactionT > &	operator= (const TemplatedReactionSet< ReactionT > &other)
	Copy assignment operator.

void	add_reaction (ReactionT reaction)
	Adds a reaction to the set.

void	remove_reaction (const ReactionT &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 ReactionT &	operator[] (size_t index) const
	Accesses a reaction by its index.

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

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

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

uint64_t	hash (uint64_t seed=0) 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< ReactionT >	m_reactions

std::string	m_id

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

Friends
std::ostream &	operator<< (std::ostream &os, const TemplatedReactionSet< ReactionT > &r)

Detailed Description

template<typename ReactionT>
class gridfire::reaction::TemplatedReactionSet< ReactionT >

Definition at line 406 of file reaction.h.

Constructor & Destructor Documentation

◆ TemplatedReactionSet() [1/3]

template<typename ReactionT>

gridfire::reaction::TemplatedReactionSet< ReactionT >::TemplatedReactionSet ( std::vector< ReactionT > reactions )

explicit

Constructs a ReactionSet from a vector of reactions.

Parameters

reactions The initial vector of Reaction objects.

Definition at line 568 of file reaction.h.

◆ TemplatedReactionSet() [2/3]

template<typename ReactionT>

gridfire::reaction::TemplatedReactionSet< ReactionT >::TemplatedReactionSet ( )

Definition at line 583 of file reaction.h.

◆ TemplatedReactionSet() [3/3]

template<typename ReactionT>

gridfire::reaction::TemplatedReactionSet< ReactionT >::TemplatedReactionSet ( const TemplatedReactionSet< ReactionT > & other )

Copy constructor.

Parameters

other The ReactionSet to copy.

Definition at line 586 of file reaction.h.

Member Function Documentation

◆ add_reaction()

template<typename ReactionT>

void gridfire::reaction::TemplatedReactionSet< ReactionT >::add_reaction ( ReactionT reaction )

Adds a reaction to the set.

Parameters

reaction The Reaction to add.

Definition at line 609 of file reaction.h.

◆ begin() [1/2]

template<typename ReactionT>

auto gridfire::reaction::TemplatedReactionSet< ReactionT >::begin ( )

inline

Definition at line 531 of file reaction.h.

◆ begin() [2/2]

template<typename ReactionT>

auto gridfire::reaction::TemplatedReactionSet< ReactionT >::begin ( ) const

inlinenodiscard

Definition at line 532 of file reaction.h.

◆ clear()

template<typename ReactionT>

void gridfire::reaction::TemplatedReactionSet< ReactionT >::clear ( )

Removes all reactions from the set.

Definition at line 649 of file reaction.h.

◆ contains() [1/2]

template<typename ReactionT>

bool gridfire::reaction::TemplatedReactionSet< ReactionT >::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.

Definition at line 639 of file reaction.h.

◆ contains() [2/2]

template<typename ReactionT>

bool gridfire::reaction::TemplatedReactionSet< ReactionT >::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.

Definition at line 629 of file reaction.h.

◆ contains_product()

template<typename ReactionT>

bool gridfire::reaction::TemplatedReactionSet< ReactionT >::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.

Definition at line 675 of file reaction.h.

◆ contains_reactant()

template<typename ReactionT>

bool gridfire::reaction::TemplatedReactionSet< ReactionT >::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.

Definition at line 665 of file reaction.h.

◆ contains_species()

template<typename ReactionT>

bool gridfire::reaction::TemplatedReactionSet< ReactionT >::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.

Definition at line 655 of file reaction.h.

◆ end() [1/2]

template<typename ReactionT>

auto gridfire::reaction::TemplatedReactionSet< ReactionT >::end ( )

inline

Definition at line 533 of file reaction.h.

◆ end() [2/2]

template<typename ReactionT>

auto gridfire::reaction::TemplatedReactionSet< ReactionT >::end ( ) const

inlinenodiscard

Definition at line 534 of file reaction.h.

◆ getReactionSetSpecies()

template<typename ReactionT>

std::unordered_set< fourdst::atomic::Species > gridfire::reaction::TemplatedReactionSet< ReactionT >::getReactionSetSpecies ( ) const

nodiscard

Definition at line 734 of file reaction.h.

◆ hash()

template<typename ReactionT>

uint64_t gridfire::reaction::TemplatedReactionSet< ReactionT >::hash ( uint64_t seed = 0 ) 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.

Definition at line 716 of file reaction.h.

◆ operator!=()

template<typename ReactionT>

bool gridfire::reaction::TemplatedReactionSet< ReactionT >::operator!= ( const TemplatedReactionSet< ReactionT > & 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.

Definition at line 711 of file reaction.h.

◆ operator=()

template<typename ReactionT>

TemplatedReactionSet< ReactionT > & gridfire::reaction::TemplatedReactionSet< ReactionT >::operator= ( const TemplatedReactionSet< ReactionT > & other )

Copy assignment operator.

Parameters

other The ReactionSet to assign from.

Returns: A reference to this ReactionSet.

Definition at line 599 of file reaction.h.

◆ operator==()

template<typename ReactionT>

bool gridfire::reaction::TemplatedReactionSet< ReactionT >::operator== ( const TemplatedReactionSet< ReactionT > & 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).

Definition at line 703 of file reaction.h.

◆ operator[]() [1/2]

template<typename ReactionT>

const ReactionT & gridfire::reaction::TemplatedReactionSet< ReactionT >::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.

Definition at line 694 of file reaction.h.

◆ operator[]() [2/2]

template<typename ReactionT>

const ReactionT & gridfire::reaction::TemplatedReactionSet< ReactionT >::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.

Definition at line 685 of file reaction.h.

◆ remove_reaction()

template<typename ReactionT>

void gridfire::reaction::TemplatedReactionSet< ReactionT >::remove_reaction ( const ReactionT & reaction )

Removes a reaction from the set.

Parameters

reaction The Reaction to remove.

Definition at line 616 of file reaction.h.

◆ size()

template<typename ReactionT>

size_t gridfire::reaction::TemplatedReactionSet< ReactionT >::size ( ) const

inlinenodiscard

Gets the number of reactions in the set.

Returns: The size of the set.

Definition at line 459 of file reaction.h.

Friends And Related Symbol Documentation

◆ operator<<

template<typename ReactionT>

std::ostream & operator<<	(	std::ostream &	os,
		const TemplatedReactionSet< ReactionT > &	r )

friend

Definition at line 537 of file reaction.h.

Member Data Documentation

◆ m_id

template<typename ReactionT>

std::string gridfire::reaction::TemplatedReactionSet< ReactionT >::m_id

private

Definition at line 557 of file reaction.h.

◆ m_logger

template<typename ReactionT>

quill::Logger* gridfire::reaction::TemplatedReactionSet< ReactionT >::m_logger = fourdst::logging::LogManager::getInstance().getLogger("log")

private

Definition at line 555 of file reaction.h.

◆ m_reactionNameMap

template<typename ReactionT>

std::unordered_map<std::string, ReactionT> gridfire::reaction::TemplatedReactionSet< ReactionT >::m_reactionNameMap

private

Maps reaction IDs to Reaction objects for quick lookup.

Definition at line 558 of file reaction.h.

◆ m_reactions

template<typename ReactionT>

std::vector<ReactionT> gridfire::reaction::TemplatedReactionSet< ReactionT >::m_reactions

private

Definition at line 556 of file reaction.h.

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

src/include/gridfire/reaction/reaction.h

Public Member Functions

Private Attributes

Friends

Detailed Description

Constructor & Destructor Documentation

◆ TemplatedReactionSet() [1/3]

◆ TemplatedReactionSet() [2/3]

◆ TemplatedReactionSet() [3/3]

Member Function Documentation

◆ add_reaction()

◆ 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]

◆ 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