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

#include <SupcrtDatabase.hpp>

Collaboration diagram for SupcrtDatabase:

Public Member Functions
	SupcrtDatabase ()
	Construct a default SupcrtDatabase object.

	SupcrtDatabase (const String &name)
	Construct a SupcrtDatabase object using an embedded database file. More...

	SupcrtDatabase (const Database &other)
	Construct a SupcrtDatabase object from another given Database object. More...

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	extendWithDatabase (Database const &other) -> void
	Extend this database with elements, species and other contents from another database.

auto	extendWithFile (String const &path) -> void
	Extend this database with elements, species and other contents from another database. More...

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) -> SupcrtDatabase
	Return a SupcrtDatabase object initialized using an embedded database file. More...

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 &text) -> Database
	Return a Database object constructed with given database text contents. More...

static auto	fromStringYAML (String const &text) -> Database
	Return a Database object constructed with given database text in YAML format. More...

static auto	fromStringJSON (String const &text) -> Database
	Return a Database object constructed with given database text in JSON format. 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 SUPCRT databases.

Constructor & Destructor Documentation

◆ SupcrtDatabase() [1/2]

SupcrtDatabase ( const String & name )

Construct a SupcrtDatabase object using an embedded database file.

The currently supported database file names are:

supcrt98
supcrt07
supcrt16
supcrtbl
Warning
An exception is thrown if name is not one of the above names.

Parameters

name The name of the embedded database.

◆ SupcrtDatabase() [2/2]

SupcrtDatabase ( const Database & other )

Construct a SupcrtDatabase object from another given Database object.

Parameters

other The Database object already containing chemical species data or empty.

Member Function Documentation

◆ withName()

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

static

Return a SupcrtDatabase object initialized using an embedded database file.