Detailed Description

A container for the parameters for a given UNIFAC model.

This container is intended to be sufficiently generic to allow the user to populate it with UNIFAC parameters from any of the standard UNIFAC models

Input of parameters (population) is done using JSON-formatted strings, and the class can be interrogated to return the desired group information and/or interaction parameters

Definition at line 83 of file UNIFACLibrary.h.

#include <UNIFACLibrary.h>

Public Member Functions
	UNIFACParameterLibrary ()

bool	is_populated ()
	Return true if library has been populated. More...

void	populate (std::string &group_data, std::string &interaction_data, std::string &decomp_data)
	Populate internal data structures based on JSON-formatted strings. More...

Group	get_group (int sgi) const
	Get the data for group with given sub group index. More...

bool	has_group (int sgi) const
	Check if the sub group index can be retrieved. More...

Component	get_component (const std::string &identifier, const std::string &value) const
	Get the group decomposition for a given component. More...

InteractionParameters	get_interaction_parameters (int mgi1, int mgi2) const
	Get the interaction parameters for given mgi-mgi pair. More...

Constructor & Destructor Documentation

◆ UNIFACParameterLibrary()

UNIFACLibrary::UNIFACParameterLibrary::UNIFACParameterLibrary ( )

inline

Definition at line 98 of file UNIFACLibrary.h.

Member Function Documentation

◆ get_component()

Component UNIFACLibrary::UNIFACParameterLibrary::get_component	(	const std::string &	identifier,
		const std::string &	value
	)		const

Get the group decomposition for a given component.

Definition at line 130 of file UNIFACLibrary.cpp.

◆ get_group()

Group UNIFACLibrary::UNIFACParameterLibrary::get_group ( int sgi ) const

Get the data for group with given sub group index.

Definition at line 88 of file UNIFACLibrary.cpp.

◆ get_interaction_parameters()

InteractionParameters UNIFACLibrary::UNIFACParameterLibrary::get_interaction_parameters	(	int	mgi1,
		int	mgi2
	)		const

Get the interaction parameters for given mgi-mgi pair.

Definition at line 105 of file UNIFACLibrary.cpp.

◆ has_group()

bool UNIFACLibrary::UNIFACParameterLibrary::has_group ( int sgi ) const

Check if the sub group index can be retrieved.

Definition at line 96 of file UNIFACLibrary.cpp.

◆ is_populated()

bool UNIFACLibrary::UNIFACParameterLibrary::is_populated ( )

inline

Return true if library has been populated.

Definition at line 101 of file UNIFACLibrary.h.

◆ populate()

void UNIFACLibrary::UNIFACParameterLibrary::populate	(	std::string &	group_data,
		std::string &	interaction_data,
		std::string &	decomp_data
	)

Populate internal data structures based on JSON-formatted strings.

Definition at line 78 of file UNIFACLibrary.cpp.

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

src/Backends/Cubics/UNIFACLibrary.h
src/Backends/Cubics/UNIFACLibrary.cpp