A collection of Reaction objects. More...

#include <reaction.h>

Inheritance diagram for gridfire::reaction::ReactionSet:

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

	ReactionSet (const ReactionSet &other)
	Copy constructor.

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

virtual	~ReactionSet ()=default
	Virtual destructor.

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

virtual 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.

virtual 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.

virtual 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=0) const
	Computes a hash for the entire set.

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< Reaction >	m_reactions

std::string	m_id

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

Detailed Description

A collection of Reaction objects.

This class manages a set of individual Reaction objects, providing efficient lookup by ID and functionality to query the entire set.

Example:

ReactionSet my_set({reaction1, reaction2});
my_set.add_reaction(reaction3);
if (my_set.contains("h1(p,g)h2")) {
    const Reaction& r = my_set["h1(p,g)h2"];
}

Definition at line 307 of file reaction.h.

Constructor & Destructor Documentation

◆ ReactionSet() [1/2]

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

explicit

Constructs a ReactionSet from a vector of reactions.

Parameters

reactions The initial vector of Reaction objects.

Definition at line 140 of file reaction.cpp.

◆ ReactionSet() [2/2]

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

Copy constructor.

Parameters

other The ReactionSet to copy.

Definition at line 154 of file reaction.cpp.

◆ ~ReactionSet()

virtual gridfire::reaction::ReactionSet::~ReactionSet ( )

virtualdefault

Virtual destructor.

Member Function Documentation

◆ add_reaction()

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

virtual

Adds a reaction to the set.

Parameters

reaction The Reaction to add.

Definition at line 175 of file reaction.cpp.

◆ begin() [1/2]

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

inline

Definition at line 435 of file reaction.h.

◆ begin() [2/2]

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

inlinenodiscard

Definition at line 436 of file reaction.h.

◆ clear()

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

Removes all reactions from the set.

Definition at line 211 of file reaction.cpp.

◆ 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.

Definition at line 202 of file reaction.cpp.

◆ 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.

Definition at line 193 of file reaction.cpp.

◆ 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.

Definition at line 234 of file reaction.cpp.

◆ 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.

Definition at line 225 of file reaction.cpp.

◆ 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.

Definition at line 216 of file reaction.cpp.

◆ end() [1/2]

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

inline

Definition at line 437 of file reaction.h.

◆ end() [2/2]

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

inlinenodiscard

Definition at line 438 of file reaction.h.

◆ hash()

uint64_t gridfire::reaction::ReactionSet::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 270 of file reaction.cpp.

◆ 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.

Definition at line 266 of file reaction.cpp.

◆ 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.

Definition at line 166 of file reaction.cpp.

◆ 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).

Definition at line 259 of file reaction.cpp.

◆ 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.

Definition at line 251 of file reaction.cpp.

◆ operator[]() [2/2]

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

nodiscardvirtual

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.

Reimplemented in gridfire::reaction::LogicalReactionSet.

Definition at line 243 of file reaction.cpp.

◆ remove_reaction()

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

virtual

Removes a reaction from the set.

Parameters

reaction The Reaction to remove.

Definition at line 181 of file reaction.cpp.

◆ size()

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

inlinenodiscardvirtual

Gets the number of reactions in the set.

Returns: The size of the set.

Reimplemented in gridfire::reaction::LogicalReactionSet.

Definition at line 363 of file reaction.h.

Member Data Documentation

◆ m_id

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

private

Definition at line 443 of file reaction.h.

◆ m_logger

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

private

Definition at line 441 of file reaction.h.

◆ m_reactionNameMap

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

private

Maps reaction IDs to Reaction objects for quick lookup.

Definition at line 444 of file reaction.h.

◆ m_reactions

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

private

Definition at line 442 of file reaction.h.

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

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

Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ ReactionSet() [1/2]

◆ ReactionSet() [2/2]

◆ ~ReactionSet()

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]

◆ hash()

◆ operator!=()

◆ operator=()

◆ operator==()

◆ operator[]() [1/2]

◆ operator[]() [2/2]

◆ remove_reaction()

◆ size()

Member Data Documentation

◆ m_id

◆ m_logger

◆ m_reactionNameMap

◆ m_reactions