ReactionMethods::SingleReaction Struct Reference

#include <SingleReaction.hpp>

Collaboration diagram for ReactionMethods::SingleReaction:

Public Member Functions
	SingleReaction ()=default
	SingleReaction (double gamma, std::vector< int > const &reactant_types, std::vector< int > const &reactant_coefficients, std::vector< int > const &product_types, std::vector< int > const &product_coefficients)
double	get_acceptance_rate () const

Public Attributes
std::vector< int >	reactant_types
std::vector< int >	reactant_coefficients
std::vector< int >	product_types
std::vector< int >	product_coefficients
double	gamma = {}
int	nu_bar = {}
	change in particle numbers for the reaction
Utils::Accumulator	accumulator_potential_energy_difference_exponential
int	tried_moves = 0
int	accepted_moves = 0

Detailed Description

Definition at line 30 of file core/reaction_methods/SingleReaction.hpp.

Constructor & Destructor Documentation

SingleReaction() [1/2]

ReactionMethods::SingleReaction::SingleReaction ( )

default

SingleReaction() [2/2]

ReactionMethods::SingleReaction::SingleReaction ( double  gamma, std::vector< int > const &  reactant_types, std::vector< int > const &  reactant_coefficients, std::vector< int > const &  product_types, std::vector< int > const &  product_coefficients  )

inline

Definition at line 32 of file core/reaction_methods/SingleReaction.hpp.

References gamma, nu_bar, product_coefficients, product_types, reactant_coefficients, and reactant_types.

Member Function Documentation

get_acceptance_rate()

double ReactionMethods::SingleReaction::get_acceptance_rate ( ) const

inline

Definition at line 70 of file core/reaction_methods/SingleReaction.hpp.

References accepted_moves, and tried_moves.

Member Data Documentation

accepted_moves

int ReactionMethods::SingleReaction::accepted_moves = 0

Definition at line 69 of file core/reaction_methods/SingleReaction.hpp.

Referenced by get_acceptance_rate().

accumulator_potential_energy_difference_exponential

Utils::Accumulator ReactionMethods::SingleReaction::accumulator_potential_energy_difference_exponential

Initial value:

=
      Utils::Accumulator(1)

Definition at line 66 of file core/reaction_methods/SingleReaction.hpp.

gamma

double ReactionMethods::SingleReaction::gamma = {}

Definition at line 63 of file core/reaction_methods/SingleReaction.hpp.

Referenced by SingleReaction().

nu_bar

int ReactionMethods::SingleReaction::nu_bar = {}

change in particle numbers for the reaction

Definition at line 65 of file core/reaction_methods/SingleReaction.hpp.

Referenced by SingleReaction().

product_coefficients

std::vector<int> ReactionMethods::SingleReaction::product_coefficients

Definition at line 62 of file core/reaction_methods/SingleReaction.hpp.

Referenced by ReactionMethods::calculate_factorial_expression(), ReactionMethods::calculate_factorial_expression_cpH(), ReactionMethods::ReactionAlgorithm::make_reaction_attempt(), and SingleReaction().

product_types

std::vector<int> ReactionMethods::SingleReaction::product_types

Definition at line 61 of file core/reaction_methods/SingleReaction.hpp.

Referenced by ReactionMethods::calculate_factorial_expression(), ReactionMethods::calculate_factorial_expression_cpH(), ReactionMethods::ReactionAlgorithm::make_reaction_attempt(), and SingleReaction().

reactant_coefficients

std::vector<int> ReactionMethods::SingleReaction::reactant_coefficients

Definition at line 60 of file core/reaction_methods/SingleReaction.hpp.

Referenced by ReactionMethods::ReactionAlgorithm::all_reactant_particles_exist(), ReactionMethods::calculate_factorial_expression(), ReactionMethods::calculate_factorial_expression_cpH(), ReactionMethods::ReactionAlgorithm::make_reaction_attempt(), and SingleReaction().

reactant_types

std::vector<int> ReactionMethods::SingleReaction::reactant_types

Definition at line 59 of file core/reaction_methods/SingleReaction.hpp.

Referenced by ReactionMethods::ReactionAlgorithm::all_reactant_particles_exist(), ReactionMethods::calculate_factorial_expression(), ReactionMethods::calculate_factorial_expression_cpH(), ReactionMethods::ReactionAlgorithm::make_reaction_attempt(), and SingleReaction().

tried_moves

int ReactionMethods::SingleReaction::tried_moves = 0

Definition at line 68 of file core/reaction_methods/SingleReaction.hpp.

Referenced by get_acceptance_rate().

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

• core/reaction_methods/SingleReaction.hpp