gridfire::reaction::WeakReaclibReaction Class Reference

#include <reaction.h>

Inheritance diagram for gridfire::reaction::WeakReaclibReaction:

Collaboration diagram for gridfire::reaction::WeakReaclibReaction:

Public Member Functions
ReactionType	type () const override
	Category of this reaction (e.g., REACLIB, WEAK, LOGICAL_REACLIB).
std::unique_ptr< Reaction >	clone () const override
	Polymorphic deep copy.
	ReaclibReaction (std::string_view id, std::string_view peName, int chapter, const std::vector< fourdst::atomic::Species > &reactants, const std::vector< fourdst::atomic::Species > &products, double qValue, std::string_view label, const RateCoefficientSet &sets, bool reverse=false)
	Constructs a Reaction object.
Public Member Functions inherited from gridfire::reaction::ReaclibReaction
	~ReaclibReaction () override=default
	ReaclibReaction (std::string_view id, std::string_view peName, int chapter, const std::vector< fourdst::atomic::Species > &reactants, const std::vector< fourdst::atomic::Species > &products, double qValue, std::string_view label, const RateCoefficientSet &sets, bool reverse=false)
	Constructs a Reaction object.
double	calculate_rate (double T9, double rho, double Ye, double mue, const std::vector< double > &Y, const std::unordered_map< size_t, fourdst::atomic::Species > &index_to_species_map) const override
	Calculates the reaction rate for a given temperature.
CppAD::AD< double >	calculate_rate (CppAD::AD< double > T9, CppAD::AD< double > rho, CppAD::AD< double > Ye, CppAD::AD< double > mue, const std::vector< CppAD::AD< double > > &Y, const std::unordered_map< size_t, fourdst::atomic::Species > &index_to_species_map) const override
	Calculates the reaction rate for a given temperature using CppAD types.
double	calculate_log_rate_partial_deriv_wrt_T9 (double T9, double rho, double Ye, double mue, const fourdst::composition::Composition &comp) const override
	Logarithmic partial derivative of the rate with respect to temperature.
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.
std::optional< std::vector< RateCoefficientSet > >	getRateCoefficients () const override
bool	contains (const fourdst::atomic::Species &species) const override
	Checks if the reaction involves a given species as a reactant or product.
bool	contains_reactant (const fourdst::atomic::Species &species) const override
	Checks if the reaction involves a given species as a reactant.
bool	contains_product (const fourdst::atomic::Species &species) const override
	Checks if the reaction involves a given species as a product.
std::unordered_set< fourdst::atomic::Species >	all_species () const override
	Gets a set of all unique species involved in the reaction.
std::unordered_set< fourdst::atomic::Species >	reactant_species () const override
	Gets a set of all unique reactant species.
std::unordered_set< fourdst::atomic::Species >	product_species () const override
	Gets a set of all unique product species.
size_t	num_species () const override
	Gets the number of unique species involved in the reaction.
int	stoichiometry (const fourdst::atomic::Species &species) const override
	Calculates the stoichiometric coefficient for a given species.
std::unordered_map< fourdst::atomic::Species, int >	stoichiometry () const override
	Gets a map of all species to their stoichiometric coefficients.
std::string_view	id () const override
	Gets the unique identifier of the reaction.
double	qValue () const override
	Gets the Q-value of the reaction.
const std::vector< fourdst::atomic::Species > &	reactants () const override
	Gets the vector of reactant species.
const std::vector< fourdst::atomic::Species > &	products () const override
	Gets the vector of product species.
bool	is_reverse () const override
	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 ReaclibReaction &other) const
	Compares this reaction with another for equality based on their IDs.
bool	operator!= (const ReaclibReaction &other) const
	Compares this reaction with another for inequality.
uint64_t	hash (uint64_t seed) const override
	Computes a hash for the reaction based on its ID.
size_t	countReactantOccurrences (const fourdst::atomic::Species &species) const override
size_t	countProductOccurrences (const fourdst::atomic::Species &species) const override
Public Member Functions inherited from gridfire::reaction::Reaction
virtual	~Reaction ()=default
	Virtual destructor for correct polymorphic cleanup.
virtual double	calculate_energy_generation_rate (const double T9, const double rho, const double Ye, double mue, const std::vector< double > &Y, const std::unordered_map< size_t, fourdst::atomic::Species > &index_to_species_map) const
	Convenience: energy generation rate from this reaction (double version).
virtual CppAD::AD< double >	calculate_energy_generation_rate (const CppAD::AD< double > &T9, const CppAD::AD< double > &rho, const CppAD::AD< double > &Ye, const CppAD::AD< double > &mue, const std::vector< CppAD::AD< double > > &Y, const std::unordered_map< size_t, fourdst::atomic::Species > &index_to_species_map) const
	Convenience: AD-enabled energy generation rate (AD version).

Additional Inherited Members
Protected Attributes inherited from gridfire::reaction::ReaclibReaction
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::unordered_map< fourdst::atomic::Species, size_t >	m_reactants
	Reactants of the reaction.
std::unordered_map< fourdst::atomic::Species, size_t >	m_products
	Products of the reaction.
std::optional< std::vector< fourdst::atomic::Species > >	m_reactantsVec
std::optional< std::vector< fourdst::atomic::Species > >	m_productsVec
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.

Member Function Documentation

clone()

std::unique_ptr< Reaction > gridfire::reaction::WeakReaclibReaction::clone ( ) const

inlineoverridevirtual

Polymorphic deep copy.

Returns

A std::unique_ptr owning a new Reaction equal to this one.

Reimplemented from gridfire::reaction::ReaclibReaction.

ReaclibReaction()

gridfire::reaction::ReaclibReaction::ReaclibReaction	(	std::string_view	id,
		std::string_view	peName,
		int	chapter,
		const std::vector< fourdst::atomic::Species > &	reactants,
		const std::vector< fourdst::atomic::Species > &	products,
		double	qValue,
		std::string_view	label,
		const RateCoefficientSet &	sets,
		bool	reverse = false
	)

Constructs a Reaction object.

Parameters

id	A unique identifier for the reaction.
peName	The name in (projectile, ejectile) notation (e.g., "p(p,g)d").
chapter	The REACLIB chapter number, defining reaction structure.
reactants	A vector of reactant species.
products	A vector of product species.
qValue	The Q-value of the reaction in MeV.
label	The sources label for the rate data (e.g., "wc12", "st08").
sets	The set of rate coefficients.
reverse	True if this is a reverse reaction rate.

type()

ReactionType gridfire::reaction::WeakReaclibReaction::type ( ) const

inlineoverridevirtual

Category of this reaction (e.g., REACLIB, WEAK, LOGICAL_REACLIB).

Returns

Enumerated reaction type for runtime dispatch and filtering.

Reimplemented from gridfire::reaction::ReaclibReaction.

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

• src/include/gridfire/reaction/reaction.h