Represents a chemical reaction within the simulation. More...

Collaboration diagram for Reaction:

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Public Member Functions
	Reaction ()
	Default constructor for the Reaction struct.

	Reaction (std::size_t id, std::vector< std::size_t > reactantStoichiometry, std::vector< std::size_t > productStoichiometry)
	Constructs a Reaction with specified parameters.

bool	operator== (Reaction const &) const =default

std::string	printStatus () const
	Returns a string representation of the Reaction status.

nlohmann::json	jsonStatus () const
	Returns a JSON representation of the Reaction status.

Public Attributes
std::uint64_t	versionNumber {1}
	Version number of the Reaction struct.

std::size_t	id
	Unique identifier for the reaction.

std::vector< std::size_t >	reactantStoichiometry
	Stoichiometry of reactants.

std::vector< std::size_t >	productStoichiometry
	Stoichiometry of products.

PropertyLambdaProbabilityHistogram	lambda
	Histogram for lambda probabilities.

Friends
Archive< std::ofstream > &	operator<< (Archive< std::ofstream > &archive, const Reaction &r)

Archive< std::ifstream > &	operator>> (Archive< std::ifstream > &archive, Reaction &r)

Detailed Description

Represents a chemical reaction within the simulation.

The Reaction struct encapsulates the properties and behaviors of a chemical reaction, including its unique identifier, stoichiometry of reactants and products, a histogram for lambda probabilities, and methods for printing and serialization.

Constructor & Destructor Documentation

◆ Reaction() [1/2]

Reaction::Reaction ( )

inline

Default constructor for the Reaction struct.

Initializes a Reaction object with default values.

◆ Reaction() [2/2]

Reaction::Reaction	(	std::size_t	id,
		std::vector< std::size_t >	reactantStoichiometry,
		std::vector< std::size_t >	productStoichiometry
	)

inline

Constructs a Reaction with specified parameters.

Initializes a Reaction with the provided identifier and stoichiometry for reactants and products.

Parameters

id	The unique identifier for the reaction.
reactantStoichiometry	A vector containing the stoichiometry of reactants.
productStoichiometry	A vector containing the stoichiometry of products.

Member Function Documentation

◆ jsonStatus()

nlohmann::json Reaction::jsonStatus ( ) const

Returns a JSON representation of the Reaction status.

Generates a JSON object containing information about the Reaction's current state.

Returns: A JSON object representing the Reaction's status.

◆ printStatus()

std::string Reaction::printStatus ( ) const

Returns a string representation of the Reaction status.

Generates a string containing information about the Reaction's current state.

Returns: A string representing the Reaction's status.

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

src/raspakit/reaction.ixx

Public Member Functions

Public Attributes