ThermoFunDatabase Class Reference

The class used to store and retrieve data of chemical species from ThermoFun databases. More...

#include <ThermoFunDatabase.hpp>

Collaboration diagram for ThermoFunDatabase:

Public Member Functions
	ThermoFunDatabase ()
	Construct a default ThermoFunDatabase object.
	ThermoFunDatabase (const String &name)
	Construct a ThermoFunDatabase object with given name of embedded database file. More...
	ThermoFunDatabase (const ThermoFun::Database &db)
	Construct a ThermoFunDatabase object with given object of class ThermoFun::Database.
Public Member Functions inherited from Database
	Database ()
	Construct a default Database object.
	Database (Database const &other)
	Construct a copy of a Database object.
	Database (Vec< Element > const &elements, Vec< Species > const &species)
	Construct a Database object with given elements and species.
	Database (Vec< Species > const &species)
	Construct a Database object with given species (elements extracted from them).
	~Database ()
	Destroy this Database object.
auto	operator= (Database other) -> Database &
	Assign another Database object to this.
auto	clear () -> void
	Remove all species and elements from the database.
auto	addElement (Element const &element) -> void
	Add an element in the database. More...
auto	addSpecies (Species const &species) -> void
	Add a species in the database. More...
auto	addSpecies (Vec< Species > const &species) -> void
	Add a list of species in the database.
auto	attachData (Any const &data) -> void
	Attach data to this database whose type is known at runtime only.
auto	extend (Database const &other) -> void
	Extend this database with elements, species and other contents from another database.
auto	elements () const -> ElementList const &
	Return all elements in the database.
auto	species () const -> SpeciesList const &
	Return all species in the database.
auto	speciesWithAggregateState (AggregateState option) const -> SpeciesList
	Return all species in the database with given aggregate state.
auto	element (String const &symbol) const -> Element const &
	Return an element with given symbol in the database. More...
auto	species (String const &name) const -> Species const &
	Return a species with given name in the database. More...
auto	reaction (String const &equation) const -> Reaction
	Construct a reaction with given equation. More...
auto	attachedData () const -> Any const &
	Return the attached data to this database whose type is known at runtime only.

Static Public Member Functions
static auto	withName (const String &name) -> ThermoFunDatabase
	Return a ThermoFunDatabase object constructed with an embedded database file. More...
static auto	fromFile (const String &filepath) -> ThermoFunDatabase
	Return a ThermoFunDatabase object constructed with a given local file. More...
static auto	fromFiles (const Strings &filepaths) -> ThermoFunDatabase
	Return a ThermoFunDatabase object constructed with given local files. More...
static auto	fromContents (const String &contents) -> ThermoFunDatabase
	Return a ThermoFunDatabase object constructed with given database text contents. More...
static auto	disableLogging () -> void
	Disable all logs emitted by ThermoFun.
Static Public Member Functions inherited from Database
static auto	fromFile (String const &path) -> Database
	Return a Database object constructed with a given local file. More...
static auto	fromEmbeddedFile (String const &path) -> Database
	Return a Database object constructed with a given embedded file. More...
static auto	fromContents (String const &contents) -> Database
	Return a Database object constructed with given database text contents. More...
static auto	fromStream (std::istream &stream) -> Database
	Return a Database object constructed with given input stream containing the database text contents. More...
static auto	local (String const &path) -> Database
	Return a Database object constructed with a given local file. More...
static auto	embedded (String const &path) -> Database
	Return a Database object constructed with a given embedded file. More...

Detailed Description

The class used to store and retrieve data of chemical species from ThermoFun databases.

Constructor & Destructor Documentation

ThermoFunDatabase()

ThermoFunDatabase ( const String &  name )

explicit

Construct a ThermoFunDatabase object with given name of embedded database file.

For a list of currently supported names for embedded ThermoFun databases, see ThermoFunDatabase::withName.

Member Function Documentation

withName()

static auto withName ( const String &  name ) -> ThermoFunDatabase

static

Return a ThermoFunDatabase object constructed with an embedded database file.

The currently supported database file names are:

• aq17 (corresponding file: aq17-thermofun.json)
• cemdata18 (corresponding file: cemdata18-thermofun.json)
• heracles (corresponding file: heracles-thermofun.json)
• mines16 (corresponding file: mines16-thermofun.json)
• psinagra-12-07 (corresponding file: psinagra-12-07-thermofun.json)
• slop98-organic (corresponding file: slop98-organic-thermofun.json)
• slop98 (corresponding file: slop98-thermofun.json)

  Parameters

  name	The name of the embedded ThermoFun database.

  Warning

  An exception is thrown if name is not one of the above names.

fromFile()

static auto fromFile ( const String &  filepath ) -> ThermoFunDatabase

static

Return a ThermoFunDatabase object constructed with a given local file.

Parameters

filepath

The path, including file name, to the database file.

Warning

An exception is thrown if filepath does not point to a valid database file.

fromFiles()

static auto fromFiles ( const Strings &  filepaths ) -> ThermoFunDatabase

static

Return a ThermoFunDatabase object constructed with given local files.

Parameters

filepaths

The paths, including file name, to the database files.

Warning

An exception is thrown if filepaths contain paths to invalid database files.

fromContents()

static auto fromContents ( const String &  contents ) -> ThermoFunDatabase

static

Return a ThermoFunDatabase object constructed with given database text contents.

Parameters

contents

The contents of the database as a string.

---

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

• Reaktoro/Extensions/ThermoFun/ThermoFunDatabase.hpp