Represents a "logical" reaction that aggregates rates from multiple sources. More...

#include <reaction.h>

Inheritance diagram for gridfire::reaction::LogicalReaction:

Public Member Functions
	LogicalReaction (const std::vector< Reaction > &reactions)
	Constructs a LogicalReaction from a vector of `Reaction` objects.

void	add_reaction (const Reaction &reaction)
	Adds another `Reaction` source to this logical reaction.

size_t	size () const
	Gets the number of source rates contributing to this logical reaction.

std::vector< std::string >	sources () const
	Gets the list of source labels for the aggregated rates.

double	calculate_rate (const double T9) const override
	Calculates the total reaction rate by summing all source rates.

CppAD::AD< double >	calculate_rate (const CppAD::AD< double > T9) const override
	Calculates the total reaction rate using CppAD types.

Iterators
Provides iterators to loop over the rate coefficient sets.
auto	begin ()

auto	begin () const

auto	end ()

auto	end () const

Public Member Functions inherited from gridfire::reaction::Reaction
virtual	~Reaction ()=default
	Virtual destructor.

	Reaction (const std::string_view id, const std::string_view peName, const int chapter, const std::vector< fourdst::atomic::Species > &reactants, const std::vector< fourdst::atomic::Species > &products, const double qValue, const std::string_view label, const RateCoefficientSet &sets, const bool reverse=false)
	Constructs a Reaction object.

virtual std::string_view	peName () const
	Gets the reaction name in (projectile, ejectile) notation.

int	chapter () const
	Gets the REACLIB chapter number.

std::string_view	sourceLabel () const
	Gets the source label for the rate data.

const RateCoefficientSet &	rateCoefficients () const
	Gets the set of rate coefficients.

bool	contains (const fourdst::atomic::Species &species) const
	Checks if the reaction involves a given species as a reactant or product.

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

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

std::unordered_set< fourdst::atomic::Species >	all_species () const
	Gets a set of all unique species involved in the reaction.

std::unordered_set< fourdst::atomic::Species >	reactant_species () const
	Gets a set of all unique reactant species.

std::unordered_set< fourdst::atomic::Species >	product_species () const
	Gets a set of all unique product species.

size_t	num_species () const
	Gets the number of unique species involved in the reaction.

int	stoichiometry (const fourdst::atomic::Species &species) const
	Calculates the stoichiometric coefficient for a given species.

std::unordered_map< fourdst::atomic::Species, int >	stoichiometry () const
	Gets a map of all species to their stoichiometric coefficients.

std::string_view	id () const
	Gets the unique identifier of the reaction.

double	qValue () const
	Gets the Q-value of the reaction.

const std::vector< fourdst::atomic::Species > &	reactants () const
	Gets the vector of reactant species.

const std::vector< fourdst::atomic::Species > &	products () const
	Gets the vector of product species.

bool	is_reverse () const
	Checks if this is a reverse reaction rate.

double	excess_energy () const
	Calculates the excess energy from the mass difference of reactants and products.

bool	operator== (const Reaction &other) const
	Compares this reaction with another for equality based on their IDs.

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

uint64_t	hash (uint64_t seed=0) const
	Computes a hash for the reaction based on its ID.

Private Member Functions
template<typename T>
T	calculate_rate (const T T9) const
	Template implementation for calculating the total reaction rate.

Private Attributes
std::vector< std::string >	m_sources
	List of source labels.

std::vector< RateCoefficientSet >	m_rates
	List of rate coefficient sets from each source.

Friends
std::ostream &	operator<< (std::ostream &os, const LogicalReaction &r)

Additional Inherited Members
Protected Attributes inherited from gridfire::reaction::Reaction
quill::Logger *	m_logger = fourdst::logging::LogManager::getInstance().getLogger("log")

std::string	m_id
	Unique identifier for the reaction (e.g., "h1+h1=>h2+e+nu").

std::string	m_peName
	Name of the reaction in (projectile, ejectile) notation (e.g. "p(p,g)d").

int	m_chapter
	Chapter number from the REACLIB database, defining the reaction structure.

double	m_qValue = 0.0
	Q-value of the reaction in MeV.

std::vector< fourdst::atomic::Species >	m_reactants
	Reactants of the reaction.

std::vector< fourdst::atomic::Species >	m_products
	Products of the reaction.

std::string	m_sourceLabel
	Source label for the rate data (e.g., "wc12w", "st08").

RateCoefficientSet	m_rateCoefficients
	The seven rate coefficients.

bool	m_reverse = false
	Flag indicating if this is a reverse reaction rate.

Detailed Description

Represents a "logical" reaction that aggregates rates from multiple sources.

A LogicalReaction shares the same reactants and products but combines rates from different evaluations (e.g., "wc12" and "st08" for the same physical reaction). The total rate is the sum of the individual rates. It inherits from Reaction, using the properties of the first provided reaction as its base properties (reactants, products, Q-value, etc.).

Definition at line 308 of file reaction.h.

Constructor & Destructor Documentation

◆ LogicalReaction()

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

explicit

Constructs a LogicalReaction from a vector of Reaction objects.

Parameters

reactions A vector of reactions that represent the same logical process.

Exceptions

std::runtime_error if the provided reactions have inconsistent Q-values.

Definition at line 142 of file reaction.cpp.

Member Function Documentation

◆ add_reaction()

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

Adds another Reaction source to this logical reaction.

Parameters

reaction The reaction to add.

Exceptions

std::runtime_error if the reaction has a different peName, a duplicate source label, or an inconsistent Q-value.

Definition at line 171 of file reaction.cpp.

◆ begin() [1/2]

auto gridfire::reaction::LogicalReaction::begin ( )

inline

Definition at line 355 of file reaction.h.

◆ begin() [2/2]

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

inlinenodiscard

Definition at line 356 of file reaction.h.

◆ calculate_rate() [1/3]

CppAD::AD< double > gridfire::reaction::LogicalReaction::calculate_rate ( const CppAD::AD< double > T9 ) const

nodiscardoverridevirtual

Calculates the total reaction rate using CppAD types.

Parameters

T9	The temperature in units of 10^9 K, as a CppAD::AD<double>.

Returns: The total calculated reaction rate, as a CppAD::AD<double>.

Reimplemented from gridfire::reaction::Reaction.

Definition at line 197 of file reaction.cpp.

◆ calculate_rate() [2/3]

double gridfire::reaction::LogicalReaction::calculate_rate ( const double T9 ) const

nodiscardoverridevirtual

Calculates the total reaction rate by summing all source rates.

Parameters

T9	The temperature in units of 10^9 K.

Returns: The total calculated reaction rate.

Reimplemented from gridfire::reaction::Reaction.

Definition at line 193 of file reaction.cpp.

◆ calculate_rate() [3/3]

template<typename T>

T gridfire::reaction::LogicalReaction::calculate_rate ( const T T9 ) const

inlinenodiscardprivate

Template implementation for calculating the total reaction rate.

Template Parameters

T	The numeric type (double or CppAD::AD<double>).

Parameters

T9	The temperature in units of 10^9 K.

Returns: The total calculated reaction rate.

This method iterates through all stored RateCoefficientSets, calculates the rate for each, and returns their sum.

Definition at line 381 of file reaction.h.

◆ end() [1/2]

auto gridfire::reaction::LogicalReaction::end ( )

inline

Definition at line 357 of file reaction.h.

◆ end() [2/2]

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

inlinenodiscard

Definition at line 358 of file reaction.h.

◆ size()

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

inlinenodiscard

Gets the number of source rates contributing to this logical reaction.

Returns: The number of aggregated rates.

Definition at line 329 of file reaction.h.

◆ sources()

std::vector< std::string > gridfire::reaction::LogicalReaction::sources ( ) const

inlinenodiscard

Gets the list of source labels for the aggregated rates.

Returns: A vector of source label strings.

Definition at line 335 of file reaction.h.

Friends And Related Symbol Documentation

◆ operator<<

std::ostream & operator<<	(	std::ostream &	os,
		const LogicalReaction &	r )

friend

Definition at line 362 of file reaction.h.

Member Data Documentation

◆ m_rates

std::vector<RateCoefficientSet> gridfire::reaction::LogicalReaction::m_rates

private

List of rate coefficient sets from each source.

Definition at line 369 of file reaction.h.

◆ m_sources

std::vector<std::string> gridfire::reaction::LogicalReaction::m_sources

private

List of source labels.

Definition at line 368 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 Member Functions

Private Attributes

Friends

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ LogicalReaction()

Member Function Documentation

◆ add_reaction()

◆ begin() [1/2]

◆ begin() [2/2]

◆ calculate_rate() [1/3]

◆ calculate_rate() [2/3]

◆ calculate_rate() [3/3]

◆ end() [1/2]

◆ end() [2/2]

◆ size()

◆ sources()

Friends And Related Symbol Documentation

◆ operator<<

Member Data Documentation

◆ m_rates

◆ m_sources