GridFire 0.6.0 General Purpose Nuclear Network

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Public Member Functions | Private Member Functions | Private Attributes | Friends | List of all members
gridfire::reaction::LogicalReaclibReaction Class Referencefinal

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

`#include <reaction.h>`

Inheritance diagram for gridfire::reaction::LogicalReaclibReaction:

## Public Member Functions
| LogicalReaclibReaction (const std::vector< ReaclibReaction > &reactions)
| Constructs a LogicalReaction from a vector of `Reaction` objects.
void | add_reaction (const ReaclibReaction &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 (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 total reaction rate by summing all source rates.
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.
ReactionType | type () const override
| Category of this reaction (e.g., REACLIB, WEAK, LOGICAL_REACLIB).
std::unique_ptr< Reaction > | clone () const override
| Polymorphic deep copy.
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 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::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.
ReactionType | type () const override
| Category of this reaction (e.g., REACLIB, WEAK, LOGICAL_REACLIB).
const RateCoefficientSet & | rateCoefficients () const
| Gets the set of rate coefficients.
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.
std::unique_ptr< Reaction > | clone () const override
| Polymorphic deep copy.
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).

## 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 LogicalReaclibReaction &r)

## 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::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 LogicalReaclibReaction 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.).

## Constructor & Destructor Documentation

## ◆ LogicalReaclibReaction()

gridfire::reaction::LogicalReaclibReaction::LogicalReaclibReaction | ( | const std::vector< ReaclibReaction > & | 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.

## Member Function Documentation

## ◆ add_reaction()

void gridfire::reaction::LogicalReaclibReaction::add_reaction | ( | const ReaclibReaction & | 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.

## ◆ begin() [1/2]

auto gridfire::reaction::LogicalReaclibReaction::begin | ( |  | ) |
| inline

## ◆ begin() [2/2]

auto gridfire::reaction::LogicalReaclibReaction::begin | ( |  | ) | const
| inline nodiscard

## ◆ calculate_log_rate_partial_deriv_wrt_T9()

double gridfire::reaction::LogicalReaclibReaction::calculate_log_rate_partial_deriv_wrt_T9 | ( | double | T9,
|  | double | rho,
|  | double | Ye,
|  | double | mue,
|  | const fourdst::composition::Composition & | comp ) const
| nodiscard override virtual

Logarithmic partial derivative of the rate with respect to temperature.

Implementations return d(ln rate)/d(ln T9) or an equivalent measure (as documented by the concrete class), evaluated at the provided state.

Parameters

  T9 | Temperature in GK (10^9 K).
  rho | Mass density (g cm^-3).
  Ye | Electron fraction.
  mue | Electron chemical potential.
  comp | Composition object providing composition in a convenient form.

Returns
  The logarithmic temperature derivative of the rate.

Implements gridfire::reaction::Reaction.

## ◆ calculate_rate() [1/3]

template<typename T>

T gridfire::reaction::LogicalReaclibReaction::calculate_rate | ( | const T | T9 | ) | const
| inline nodiscard private

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 `RateCoefficientSet`s, calculates the rate for each, and returns their sum.

## ◆ calculate_rate() [2/3]

CppAD::AD< double > gridfire::reaction::LogicalReaclibReaction::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
| nodiscard override virtual

Calculates the total reaction rate using CppAD types.

Parameters

  T9 | The temperature in units of 10^9 K, as a CppAD::AD<double>.
  rho |
  Ye |
  mue |
  Y |
  index_to_species_map |

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

Implements gridfire::reaction::Reaction.

## ◆ calculate_rate() [3/3]

double gridfire::reaction::LogicalReaclibReaction::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
| nodiscard override virtual

Calculates the total reaction rate by summing all source rates.

Parameters

  T9 | The temperature in units of 10^9 K.
  rho |
  Ye |
  mue |
  Y |
  index_to_species_map |

Returns
  The total calculated reaction rate.

Implements gridfire::reaction::Reaction.

## ◆ clone()

std::unique_ptr< Reaction > gridfire::reaction::LogicalReaclibReaction::clone | ( |  | ) | const
| nodiscard override virtual

Polymorphic deep copy.

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

Implements gridfire::reaction::Reaction.

## ◆ end() [1/2]

auto gridfire::reaction::LogicalReaclibReaction::end | ( |  | ) |
| inline

## ◆ end() [2/2]

auto gridfire::reaction::LogicalReaclibReaction::end | ( |  | ) | const
| inline nodiscard

## ◆ size()

size_t gridfire::reaction::LogicalReaclibReaction::size | ( |  | ) | const
| inline nodiscard

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

Returns
  The number of aggregated rates.

## ◆ sources()

std::vector< std::string > gridfire::reaction::LogicalReaclibReaction::sources | ( |  | ) | const
| inline nodiscard

Gets the list of source labels for the aggregated rates.

Returns
  A vector of source label strings.

## ◆ type()

ReactionType gridfire::reaction::LogicalReaclibReaction::type | ( |  | ) | const
| inline nodiscard override virtual

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

Returns
  Enumerated reaction type for runtime dispatch and filtering.

Implements gridfire::reaction::Reaction.

## Friends And Related Symbol Documentation

## ◆ operator<<

std::ostream & operator<< | ( | std::ostream & | os,
|  | const LogicalReaclibReaction & | r )
| friend

## Member Data Documentation

## ◆ m_rates

std::vector<RateCoefficientSet> gridfire::reaction::LogicalReaclibReaction::m_rates
| private

List of rate coefficient sets from each source.

## ◆ m_sources

std::vector<std::string> gridfire::reaction::LogicalReaclibReaction::m_sources
| private

List of source labels.

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

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